How to Submit
Browse
Events
Communities
About
2025
Jan
Feb
Mar
Apr
May
Jun
Jul
Aug
Sep
Oct
Nov
Dec
Subject: Chemistry
,
Working Paper
, Title:

Pivoltal synthesis of tetrasubstituted epoxides from ketones and a-halo B/Si ylides with understanding of the activation modes

, Authors: Elena Fernandez, Luis Tarifa, Edmond Apaloo, Paula Dominguez-Molano, Lucia Moran-Gonzalez, Oriol Salvado, Stanley Wilkinson, Marcos Rodriguez, Feliu Maseras
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-h9prl
 
Subject: Chemistry
,
Working Paper
, Title:

Pursuing Efficient Red Thermally Activated Delayed Fluorescence Upon Increasing the Degree of Branching in Phenothiazine- Trithienyltriazine Push-Pull Compounds

, Authors: Pietro Mancini, Chiara Montanari, Kusum Yadav, Erica Luzi, Rajneesh Misra, Benedetta Carlotti
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-p2jqx
 
Subject: Chemistry
,
Working Paper
, Title:

Decoding the Unseen: Unsupervised Anomaly Detection in Metal–Organic Frameworks for Discovery Beyond the Norm

, Authors: Hosein Alimardani, Shayan Abaei, Mehrdad Asgari
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-hhr97-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of α-Ethylidene β-lactones via lactonization/1,3-H-transposition of α-vinyl-β-hydroxy acids.

, Authors: Barnabas Otoo, Meklit Worku, Nick Griffin
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-6gcwx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

SymChemAI: A Symbolically Informed Neural Network for Physicochemical Modeling of Reaction Systems

, Authors: Souad Tayane, Jaafar GABER
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-2hp4c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Identifying persistence in enzyme kinetics and growth dynamics using the a-m model

, Authors: Shruti I S, Vijay Prakash S
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-vsv3s-v2
 
Subject: Chemistry
,
Review
, Title:

Bonding Evolution Theory in Ground and Electronically Excited States: Mathematical Foundations and Consequences for Understanding Reactivity

, Authors: Leandro Ayarde-Henríquez, Cristian J. Guerra, Eduardo Chamorro
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-6vzks-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Capillary Phenomena – Part II: Explicit Analytical Expression for Capillary Rise and Depression

, Authors: Noureddine Djama
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-mpf47-v2
 
Subject: Law
,
Working Paper
, Title:

Critical Perspectives on the FINANCIAL INTELLIGENCE AND ANTI-MONEY LAUNDERING ACT 2002 (FIAMLA) of Mauritius

, Authors: Guru Dev Teeluckdharry
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.33774/coe-2025-ktb64-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Selective C70 Recognition by a Structurally Rigid Porphyrin-Carbazole Cavitand having a Smaller Cavity

, Authors: Mohini Mittal, Sameeksha Agrawal, Pradip K Mondal, Sankar Jeyaraman
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-78bk0
 
Subject: Chemistry
,
Working Paper
, Title:

Accessing CF3-Cyclopropenes — A Platform for the Synthesis of Trifluoromethylated Building Blocks

, Authors: Wei Wu, Tobias M. Milzarek, Matthew D. Wodrich, Jerome Waser
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-zpkgt
 
Subject: Chemistry
,
Working Paper
, Title:

Bridging Particle-Scale Lithiation Mechanisms and Macroscopic Performance in High-Energy Density Si Anodes via Time-resolved 3D Visualisation Methods

, Authors: Michael Häusler, Rahulkumar J. Sinojiya, Olga Stamati, Julie Villanova, Christoph Stangl, Stefan Koller, Roland Brunner
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-2vch8
 
Subject: Chemistry
,
Working Paper
, Title:

Data-driven catalyst design for direct catalytic N2O decomposition

, Authors: Chenxi He, Shinya Mine, Yuan Jing, Jialei Zhang, Junxian Qin, Ningqiang Zhang, Koichiro Taketoshi, Akihiko Anzai, Ryo Toyoshima, Hiroshi Kondoh, Ichigaku Takigawa, Ken-ichi Shimizu, Takashi Toyao
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-t3d0t
 
Subject: Chemistry
,
Working Paper
, Title:

⁷⁷Se Hyperpolarization Enabled by Reversible Parahydrogen Exchange and Audio-Frequency Magnetic Fields at 0.1 mT

, Authors: Danil Markelov, Alexey Kiryutin, Alexander Borisov, Irina Kosenko, Ivan Godovikov, Alexandra Yurkovskaya
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-32fcq
 
Subject: Chemistry
,
Working Paper
, Title:

Structure of the Most Stable Methylaluminoxane Anion [(MeAlO)16(Me3Al)6Me]− and its Precursor

, Authors: Munmun Bharti, Aleksi Vähäkangas, Perttu Hanhisalo, Scott Collins, Mikko Linnolahti
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-8g0gd
 
Subject: Chemistry
,
Working Paper
, Title:

Do Amino-Oxetanes Resemble Amides? A Matched Molecular Pairs Property and Structural Comparison

, Authors: Hikaru Ishikura, Callum S Begg, Juan J Rojas, Luka Blagojevic, Gavin J Smith, Joyce Luk, Rosemary A. Croft, Charles Romain, Chulho Choi, James A Bull
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-hkhlq
 
Subject: Chemistry
,
Working Paper
, Title:

SynKit: A Graph-Based Python Framework for Rule-Based Reaction Modeling and Analysis

, Authors: Tieu-Long Phan, Marcos E. Gonzalez Laffitte, Klaus Weinbauer, Daniel Merkle, Jakob L. Andersen, Rolf Fagerberg, Thomas Gatter, Peter F. Stadler
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-0rhb9
 
Subject: Chemistry
,
Working Paper
, Title:

An Inverse Main Chain-Side Chain Amphiphilic Polymer Architecture: Self-Assembly Fractionation of a Squaramide Condensation Polymer

, Authors: Tielei Li, Kaini Yang, Baochen Wang, Yachun Su, Zhengqing Kong, Sanyang Li, Jin Zhu
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-f5113
 
Subject: Chemistry
,
Working Paper
, Title:

Graphite Development from a Manufacturers Perspective: Processing, Formation and Benchmarking

, Authors: Elizabeth Oseland, Teena Rajan, Michael Lain, Daniela Proprentner, Harriet Dutton, Andrew Bostwick, Paul Siddy, David Wilson, Louis Piper
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-xt4c4
 
Subject: Chemistry
,
Working Paper
, Title:

Designing for Intramolecular H-Bonding in Palladium(II) Dichlorides

, Authors: Karli Sipps, Hemant Yennawar, Jonathan Kuo
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-g4x7t
 
Subject: Chemistry
,
Working Paper
, Title:

Generation of Enantiospecific Monoclonal Antibodies Against (2R,6R)-Hydroxynorketamine

, Authors: Uriel Matthew Enriquez, Natalie M. Gonzalez-Velazquez, Mohammad Mosharraf Hossain, Jillian L. Kyzer, Ilia A. Guzei, Cody J. Wenthur
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-v2pvg
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-Dependant Structural Families of Aminomethylphosphonic Acid Assemblies Differentiated by Ion Mobility Mass Spectrometry and Density Functional Theory

, Authors: Olivia Rusli, Haedam Mun, Marco Neumaier, Sjors Bakels, Kevin Hes, Oscar Hamilton Lloyd Williams, Anouk M. Rijs, Junming Ho, Nicole Joy Rijs
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-t6317
 
Subject: Chemistry
,
Working Paper
, Title:

Rh-catalyzed asymmetric Suzuki-Miyaura allylation of vinylcyclobutanols toward axially chiral alkylidenecyclobutanes

, Authors: Xufei Yan, Xiaoqin Ning, Tonglin Zhao, Xiao Tan, Ying Xia
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-b7whp
 
Subject: Chemistry
,
Working Paper
, Title:

Development and Validation of a Process Model and Open-Source Process Simulator for Microalgae-Based Tertiary Phosphorus Recovery

, Authors: Ga-Yeong Kim, Hannah Molitor, Xinyi Zhang, Yalin Li, Brian Shoener, Stephanie Schramm, Eberhard Morgenroth, Spencer Snowling, Elaine Hartnett, Ian Bradley, Ameet Pinto, Jeremy Guest
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2024-rqbzn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical one-pot synthesis of complex alkenes

, Authors: Sayad Doobary, Judith Braunreuther, Andrew K. Inge, Berit Olofsson
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-d2m1p-v2
 
Subject: Chemistry
,
Working Paper
, Title:

FAIRSpec-Ready Spectroscopic Data Collections – Advice for Researchers, Authors, and Data Managers (IUPAC Technical Report)

, Authors: Mark Archibald, Ian Bruno, Stuart Chalk, Antony Davies, Robert Hanson, Stefan Kuhn, Robert Lancashire, Henry Rzepa
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-vqhnd-v3
 
Subject: Chemistry
,
Working Paper
, Title:

In situ Observation of Nanoparticle Photocharging: Gold Nanorods as Photochemical Capacitors

, Authors: Felix Stete, Matias Bargheer, Wouter Koopman
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2023-v4824-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Electrostatic Embedding for ML/MM Free Energy Calculations

, Authors: João Morado, Kirill Zinovjev, Lester O. Hedges, Daniel J. Cole, Julien Michel
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-ktjh4-v3
 
Subject: Chemistry
,
Working Paper
, Title:

The role of hydrogen-deficient species during alkylamine hydrotreating on platinum catalysts

, Authors: Joakim Kattelus, Emma Verkama, Jorge Velasco, Reetta Karinen, Kari Laasonen, Riikka Puurunen
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-74flg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

LCMS/MS-based mining of the peptaibiome: A discovery of new peptaibols

, Authors: Nisha sharma, Poonam Choudhary, Priya Kumari, Mohd Murtaza, Vidushi Abrol, Rohit Singh, Sudha Shankar, Andrew J. Wiemer, Manoj Kushwaha, Sundeep Jaglan
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-l7nj9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Can crystalline polymorphism be predicted from single-molecule properties?

, Authors: Itamar Wallwater, Yonatan Dubi, Ari Pakman, Anat Milo
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-n71h3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Condensed Graphs of Multi-step Reaction Routes for Clustering Retrosynthetic Pathways

, Authors: Almaz Gilmullin, Tagir Akhmetshin, Dmitry Zankov, Olga KLIMCHUK, Dragos Horvath, Timur Madzhidov, Alexandre Varnek
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-lnkz6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Semiempirical Quantum Chemistry in the Age of ab initio Data and Differentiable Programming: I. Differentiable Molecular Orbital Theory

, Authors: Martin Stoehr, Todd J. Martinez
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-k1zg8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Decoy Selection to Improve Virtual Screening Using Machine Learning Models

, Authors: Felipe Victoria-Munoz, Janosch Menke, Norberto Sanchez-Cruz, Oliver Koch
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-2hh8z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pressure-induced fluorescence enhancement and highly sensitive color change of anthracene-introduced phenacene derivatives in solid state

, Authors: Ryusei Oketani, Kaisei Niibori, Hikaru Sotome, Yuki Nakamoto, Naohisa Hirao, Hirokazu Kadobayashi, Ryoya Kamiyama, Ichiro Hisaki
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-nhjgw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An Aciclovir Intermediate Can Prevent Drug-induced Acute Kidney Injury

, Authors: Kimberley Noble, Oisín Kavanagh
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-ls6sh
 
Subject: Chemistry
,
Review
, Title:

Which halogen to choose? Comparing the effects of chlorine and fluorine as bioisosteric substituents in drug design

, Authors: Connor Summerfield, Graham Pattison
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-t52nl
 
Subject: Chemistry
,
Review
, Title:

Computer Simulations of Zeolite Formation

, Authors: Siddharth Sonti, Ambarish R. Kulkarni
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-p1kd6
 
Subject: Chemistry
,
Working Paper
, Title:

Regioselective Alkyne Hydroarylation as an Atom-Economical Approach to Oligomerization

, Authors: Mo Chen, Elizabeth Jaekle, James Mackinder, John Montgomery
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-03s7s
 
Subject: Chemistry
,
Working Paper
, Title:

Terpenoid Synthesis via Convergent Radical Annulation

, Authors: Alex L. Rerick, Griffin L. Barnes, Fabian Schneider, Luis Oxenfart, Phil Baran
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-cb46q
 
Subject: Chemistry
,
Working Paper
, Title:

PyGraSO: Analytical Nuclear Derivatives of Spin-Orbit Coupling for Intersystem Crossing Dynamics Simulations

, Authors: Masaya Hagai, Kazuhiro J. Fujimoto, Takeshi Yanai
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-0ssh5
 
Subject: Chemistry
,
Working Paper
, Title:

iEDDA-assisted Proximity Labeling for Dynamic Analysis near Nuclear Lamina

, Authors: Xueqing Kong, Jinghua Han, Kaiyun Zhao, Han Jia, Ying Li
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-4vx6x
 
Subject: Mathematics
,
Working Paper
, Title:

The Dose Response Regarding Microbial Disease: A Mathematical View

, Authors: JOGENDRA KUMAR, ANAND KUMAR, Sanjeev Arora
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.33774/coe-2025-51f68
 
Subject: Engineering
,
Working Paper
, Title:

Study on Data-Driven Scenario Construction for Autonomous Driving Testing

, Authors: Arif Hossain
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.33774/coe-2025-jz51g
 
Subject: Chemistry
,
Working Paper
, Title:

The quest for the new CaLB: potential of three thermostable polyester hydrolases for esterification reactions

, Authors: Francesco Papatola, Filippo Fabbri, Virender Kumar, Chiara Siracusa, Felice Quartinello, Doris Ribitsch, Cristiano Varrone, Georg Guebitz, Alessandro Pellis
Version undefined posted 01 September 2025
Posted
Sep 01, 2025
10.26434/chemrxiv-2025-878j7
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemistry Enables Rapid and Solvent-Free Wittig Reactions on Sugars

, Authors: Francesco Mele, Nina Biedermann, Christoph Suster, Johanna Templ, Christian Stanetty, Michael Schnürch
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-b7bdr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

On topologically frustrated polymers and where to find them

, Authors: Vasil Saroka
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-njj2z
 
Subject: Chemistry
,
Working Paper
, Title:

Refining genetic circuit design for enhanced type II polyketide biosynthesis in Escherichia coli

, Authors: Zeynab Aghabayli, Isabel Henige, Megan Ley, Courtney L. Brown, Oona Nieminen, Kendall Paige, Alicia Brock, Hope McGillis, Hope Flowers, Alexis Bruglio, Nicole Richards, Christopher Nostrant, Xuechen Zhu, Mikko Metsä-Ketelä, S. Eric Nybo
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-t3whv
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of Spirodioxolane nsP2 Helicase Inhibitors with Antialphaviral Activity

, Authors: Hans Oh, John Sears, Muthu Bose Ramalingam, Rahman Shah Zaib Saleem, Zachary Davis-Gilbert, Mohammed Anwar Hossain, Stella Moorman, Durbadal Ojha, Sabian Martinez, Jane Burdick, Rafael Couñago, Nathaniel Moorman, Mark Heise, Matthew Todd, Timothy Willson
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-mfts7
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Solvation on the Photoisomerization Mechanism of Oxindole Switches with Electron-Donating Substituents

, Authors: Miquel Huix-Rotllant, Abdul Qadeer, Daniel Roca-Sanjuán, Javier Segarra-Martí, Cheol Ho Choi
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-cjbf3
 
Subject: Chemistry
,
Working Paper
, Title:

Materials properties predictions: the role of numerical tokens in Large Language Models.

, Authors: Alexis Geslin
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-ln8gv
 
Subject: Chemistry
,
Working Paper
, Title:

Pressure-Induced Stereochemistry and Lone Pair ( E ) Localization in BiF3: Ellipsoidal EBi 6s2 / EF 2s2 Volumes, Perichoresis, and Phase Transitions

, Authors: Samir MATAR, Alicia CASTRO, Jean GALY
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-l1s0w
 
Subject: Chemistry
,
Working Paper
, Title:

Selection of Order by the Formation of Self-Reproducing Microcompartments Drives Adaptation, Catalysis, and Chemical Evolution in Constitutional Dynamic Networks.

, Authors: Tanguy Rieu, Ferran Esteve, Fatma Zohra Mihoubi, Claudia Bonfio, Jean-Marie Lehn
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-k0lwf
 
Subject: Chemistry
,
Working Paper
, Title:

Gas Exclusion Zones in Type II Porous Liquids

, Authors: Cathal Kelly, Sergio Fonrouge, José Borioni, Mario Del Pópolo, Émer Rooney, Travis Holman, Stuart James
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-2rx5f
 
Subject: Chemistry
,
Working Paper
, Title:

Fe(II)-Catalyzed Intramolecular of C(sp2)−H and C(sp3)−H Amination of Anthranils: Modular Strategy for the Synthesis of N-Heterocycles

, Authors: Amit Pawar, Shubham Londhe
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-82g6c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

MolSculptor: an adaptive diffusion-evolution framework enabling generative drug design for multi-target affinity and selectivity

, Authors: Yanheng Li, Xiaohan Lin, Yize Hao, Jun Zhang, Yundong Wu, Yi Qin Gao
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-v4758-v2
 
Subject: Chemistry
,
Working Paper
, Title:

New Isostructural Family of Mixed-Metal Na-M(III)-MOFs Based on Glycolic Acid

, Authors: Bastian Achenbach, Michael T. Wharmby, Alexandra Lieb, Felix Steinke, Christian Näther, Norbert Stock
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2024-cd3pj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A general small language model (SLM) approach to examining scientific trends through conference proceedings: application to the 2019 and 2024 annual meetings of the Brazilian Chemical Society

, Authors: Rubens Souza, Nathalia Rosa, Julio Duarte, Itamar Borges Jr
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-vjqhg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering a Carboxylesterase for Highly Efficient Enantioselective Acyl Transfer Reaction

, Authors: Wencai Fan, Sanyang Li, Xinxin Liu, Lin Chen, Yaxuan Fang, Wenhui Wang, Yong Guo, Dan Wu, Jin Zhu
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-v0ddt
 
Subject: Chemistry
,
Working Paper
, Title:

An Extremely-High-Strain All-BODIPY-Based Nanohoop

, Authors: Bing Yuan, Jinyi Wang, Nan Yin, Wen Zhang, Xinyu Zhang, Zheng Zhou, Pingwu Du
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-rr52k
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Red and Near Infrared OLED Efficiency of a TADF Emitter Through Internal Solvation Effect

, Authors: Wojciech Derkowski, Piotr Pander, Adam Zuba, Krzysztof Durka, Sergiusz Luliński, Andrew Monkman
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-jq01l
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric Synthesis of Enantioenriched Cyclic Allene Precursors

, Authors: Yeong-Woong Lee, Junhui Bae, Myungsoo Choi, Nayoung Kim, Haeun Choi, Jaeho Kim, Jintaek Gong, Hyomi Kim, Sung-Eun Suh
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-bdfl4
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-zone patterning enables hematocrit-independent, precision metering of dried plasma for decentralized diagnostics

, Authors: Amanda Code, Giorgio Gianini Morbioli, Keith R. Baillargeon, Jack Soloway, Yanran Sun, Charles R. Mace
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-z2kqc
 
Subject: Chemistry
,
Working Paper
, Title:

Direct solid-phase peptide synthesis on electrode surfaces: an alternative approach to post-synthesis heterogenization

, Authors: Claudia Spallacci, Dylan Valli, Luca D'Amario, Michal Maj, Mun Hon Cheah
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-zd1m1
 
Subject: Chemistry
,
Review
, Title:

The elephant in the lab: Synthesizability in generative small-molecule design

, Authors: Sven Michael Papidocha, Andreas Burger, Varinia Bernales, Alán Aspuru-Guzik
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-1lcpq
 
Subject: Chemistry
,
Working Paper
, Title:

Colloidal phase control in plasmonic metal oxide nanocrystals via competitive metal–ligand equilibria

, Authors: Jiho Kang, Dingwen Qian, Jayoon Lee, Diana Conrad, Jessica Oberlander, M. Wren Berry, Jeffrey Liu, Eric Anslyn, Thomas Truskett, Delia Milliron
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-42gc2
 
Subject: Chemistry
,
Working Paper
, Title:

Room-Temperature Decarboxylative Amination of (Hetero)Aromatic Carboxylic Acids

, Authors: Rabina Basnet, Karl Golian, Jessica Sampson, Jessica Hoover
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-0jbfd
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Assembly Drives Rare-Earth Separations in a Family of M4L4 Cages

, Authors: Jou-Tsen Ou, Min Chieh Yang, Yu-Chia Chang, Michael Baptiste, Garrison Bauer, Sung-Fu Hung, Peter Zavalij, Mercedes Taylor
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-1jsd7
 
Subject: Chemistry
,
Working Paper
, Title:

Assembly of Small Silica Nanoparticles using Lipid-Tethered DNA ‘Bonds’

, Authors: Huat Thart Chiang, Naomi Kern, Zachery Wylie, Abdul Moeez, Haoqing Zhang, Daniel McKeen, Nicholas Herringer, Oleg Gang, Andrew Ferguson, Zachary Sherman, Lilo Pozzo
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-s6w90
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetic, Spectroscopic, and Computational Investigation of Oxidative Aminative Alkene Cleavage Reveals an N-Iodonium-Iminoiodinane Pathway

, Authors: Florian Ruepp, Vasily Grebennikov, Mykola Avramenko, Marc-Olivier Ebert, Bill Morandi
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-6cdgb
 
Subject: Chemistry
,
Working Paper
, Title:

Major Depressive Disorder Diagnosis with miRNA-Based Quantum Machine Learning

, Authors: Saanvi Dogra, Valentina Kouznetsova, Igor Tsigelny
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-hrhgq
 
Subject: Chemistry
,
Working Paper
, Title:

Optimizing Drug Activity Using Docking-Informed Machine Learning

, Authors: James Proudfoot, Toby Lewis-Atwell, Matthew Grayson
Version undefined posted 02 September 2025
Posted
Sep 02, 2025
10.26434/chemrxiv-2025-vg35z-v2
 
Subject: Chemistry
,
Review
, Title:

Electronic Spin-Dependent Dynamics through the Lens of Angular Momentum Exchange. I. A Born–Huang Perspective

, Authors: Martin van Horn, Twana Cheragwandi, Nanna Holmgaard List
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-x3fr7
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Sampling of Ligand Binding Coupled to RNA Conformational Dynamics

, Authors: Revanth Elangovan, Dhiman Ray
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-hnc4c-v2
 
Subject: Chemistry
,
Review
, Title:

Structural and thermodynamic properties of La3+ in chloride-bearing hydrothermal fluids - Insights from a new ab initio-based polarizable force field

, Authors: Rajorshi Chattopadhyay, Sandro Jahn
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-h5v4s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Precision-controlled single-molecule piezoelectric devices

, Authors: Yutian Zhang, Jin Qiu, Rui Wang, Xuanying Chen, Qi Zou, He Tian
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-bq360-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Transient Microkinetic Modeling of Electrochemical Reactions: Capturing Unsteady Dynamics of CO Reduction and Oxygen Evolution

, Authors: Shivam Chaturvedi, Amar Deep Pathak, Nishant Sinha, Ananth Govind Rajan
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-rggk3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Excited states of peridinin in PCP: Polarizable embedding QM/MM study

, Authors: Alyssa Kranc, Ksenia Bravaya
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-bwnnj-v2
 
Subject: Chemistry
,
Review
, Title:

Electronic Spin-Dependent Dynamics through the Lens of Angular Momentum Exchange. II. Insights from a Model System

, Authors: Martin van Horn, Twana Cheragwandi, Nanna Holmgaard List
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-xdhvl
 
Subject: Chemistry
,
Working Paper
, Title:

N-Methylated Peptide Synthesis via in situ Generation of Pivaloyl Mixed Anhydrides

, Authors: Lulu Liu, Chenchen Qi, Xiaoqing Li, Xiangsheng Xu
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-bhhrr
 
Subject: Chemistry
,
Working Paper
, Title:

Coarse-grained simulations of the nanoplastic interaction with soil organic matter

, Authors: Lorenz F. Dettmann, Oliver Kühn, Ashour A. Ahmed
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-l43hc
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of Metal-Ga Intermetallics via ‘Quasi’-Epitaxy at Liquid Ga/Water Interfaces

, Authors: Joshua Hazelnis, Tao Ma, Navpreet Singh, Stephen Maldonado
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-btn2d
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Photocatalytic Trifluoromethyl-Carboxylation of Enamides: A Gateway to alpha-Trifluoroethyl Phenylglycines

, Authors: Valerii Bukhanko, Aya Ohno, Abhijit Sen, Yoichi M. A. Yamada
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-d7l53
 
Subject: Chemistry
,
Working Paper
, Title:

Direct photopatterning on polysulfide polymers for engineered surfaces and anti-counterfeiting technology

, Authors: Abigail Mann, Leo James, Harshal Patel, Iliana Delcheva, Melanie MacGregor, Sara Fraser-Miller, Jason Gascooke, Pankaj Sharma, Chiara Neto, Christopher Gibson, Justin Chalker
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-zndrg
 
Subject: Chemistry
,
Working Paper
, Title:

3-Azafluorenone Derivatives with Small HOMO–LUMO Gaps, Allowing Visible-Light Absorption

, Authors: Toshimichi Kobayashi, Yuki Itabashi, Kento Iwai, Tsuyoshi Inoue, Kei Ohkubo, Haruyasu Asahara
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-qhtwx
 
Subject: Chemistry
,
Working Paper
, Title:

Visible-Light-Mediated Synthesis of 2-Oxetanes via Giese Addition to α-Oxy Radicals

, Authors: Corinna Schindler, Matthew Liu, Elvis McFee
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-3m933
 
Subject: Chemistry
,
Working Paper
, Title:

Unified Mechanics on Thermodynamics, Classical Mechanics, and Quantum Mechanics

, Authors: Henmei Ni
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2024-35kds-v7
 
Subject: Chemistry
,
Working Paper
, Title:

Ordered HyperStructure, Ordered SuperHyperStructure, Medical HyperStructure, Biological HyperStructure, and more

, Authors: Takaaki Fujita
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-skq8v
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-task Attention for Doped Thermoelectric Properties Prediction

, Authors: Leng Ze Tang, Trupti Mohanty, Sterling G. Baird, Leonard W. T. Ng, Taylor D. Sparks
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-jcgjz
 
Subject: Chemistry
,
Working Paper
, Title:

Isopotential Electron Titration of Ammonia Charge Transfer on Metal Catalysts

, Authors: Jesse Canavan, Rajat Daga, Justin Hopkins, Ulrick Gaillard, Alon McCormick, Matthew Neurock, Omar Abdelrahman, Paul Dauenhauer
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-473mb
 
Subject: Chemistry
,
Working Paper
, Title:

Comparing Force Field Treatments in QM/MM Studies of the SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp) Mechanism

, Authors: Maite Roca, Yazdan Maghsoud, G. Andrés Cisneros, Katarzyna Świderek, Vicent Moliner
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-bcbpz
 
Subject: Chemistry
,
Working Paper
, Title:

One-Step Civil Drinking Water Treatment with a Ceramic Nanofilter – Pilot Test

, Authors: Zhiqiang Wang
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-69w83-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Generalized Softening Point Model for Viscoelastic Materials: Theoretical Derivation and Applications to Cheeses

, Authors: Samuele Giani
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-znc1v-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A bioactive nanocarbon that targets cross-species protein–protein interactions

, Authors: Hayato Yamada, Ryuto Kojo, Takafumi Shiraogawa, Daisuke Shimizu, Daiki Imoto, Nghia Minh Le, Ayato Sato, Atsushi Usami, Jun-ya Hasegawa, Lawrence T. Scott, Kazuma Amaike, Kenichiro Itami
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-x2xsw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Formation of Uranium Pinacolate from the Reductive Coupling of Acetone

, Authors: León Hillers, Lisa Vondung
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-wxvf6
 
Subject: Chemistry
,
Working Paper
, Title:

Antileishmanial and Antitoxoplasmal Activities of Acetone-Derived Monoketone Curcuminoids

, Authors: Yan Robles, Tatiana Vieira, Waleed Koko, Tarik Khan, Ismail Daoud, Seyfeddine Rahali, Noureddine Amdouni, Ridha Ben Said, Ibrahim Al Nasr, Antônio Crotti
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-41gsj
 
Subject: Chemistry
,
Working Paper
, Title:

Theory Meets Experiment in Ammonia Decomposition on Li14Cr2N8O: From Order to Disorder Under Reaction Conditions

, Authors: Francesco Mambretti, Umberto Raucci, Oscar Gómez-Cápiro, Mirabbos Hojamberdiev, Stefan Berendts, Holger Ruland, Martin Lerch, Michele Parrinello
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-1fx3j
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Based Design and Development of 2-Oxindole Derivatives as Next Generation Ku-DNA Binding Inhibitors (Ku-DBi’s) for Cancer Therapy.

, Authors: Narva Deshwar Kushwaha, Dineshsinha Chauhan, Pamela L. Mendoza-Munoz, Joseph Engel, Hariprasad Aruri, Ladislau C. Kovari, John J. Turchi, Navnath S. Gavande
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-bp68g
 
Subject: Chemistry
,
Working Paper
, Title:

LightChem: A Lightweight Domain-Specific Language Model for Molecular Property and Reaction Prediction in Chemistry

, Authors: Yu Zhang, Jian Zhang, Yuming Gu, Qiantu Tao, Linke He, Daojing Li, Yijian Zhang, Dingwen Fan, Yijie Gao, Junhui Sun, Jiawei Chen, Rongxin Shi, Ziyang Wu, Qingqing Jia, Lifeng Zheng, Shihao Yuan, Fujian Yang, Yuchuan Chen, Dong Zheng, Yilin Liu, Yiling Cai, Zhaopeng Gu, Cheng Zhang, Bingcai Cai, Guoao Li, Tianyu Zhang, Yang Zhou, Yuang Liu, Tianyue Zhang, Sihan Xing, Zekun Li, Xiaoshi Su, Dong Fan, Hongyu Qian, Xuehan Li, Boyuan Zhang, Yewei Xiao, Xu Liu, Yan Zhu, Qiang Zhu, Qian Liu, Shuang Chen, Jin Wen, Ziyi Yu, Guixiang Zeng, Yong Liang, Yi Wang, Weigao Xu, Jianyi Wang, Manyi Yang, Yang Gao, Shuhua Li, Yinghuan Shi, Xin Chen, Hao Dong, Wei Li, Jing Ma, Guoqiang Wang
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-wd80w
 
Subject: Law
,
Working Paper
, Title:

"ECONOMIC ANALYSIS OF LAW" "Critically analyzing the relationship between the law and economics"

, Authors: Dewan Mahfujul Hasan
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.33774/coe-2025-njdjt
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Elements of Latinidad: Conceptualizing Within-Group Status in Latino Politics

, Authors: Laura Uribe
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.33774/apsa-2025-6cm70
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Cutting Off the Respirator: Aspiring Autocrats and Subnational Autonomy

, Authors: Theodoros Ntounias
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.33774/apsa-2025-4g8vv
 
Subject: Politics and International Relations
,
Working Paper
, Title:

During Good Behavior: The Evolution of Judicial Conduct Code Enforcement

, Authors: Mariliz Kastberg-Leonard
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.33774/apsa-2025-520d9
 
Subject: Chemistry
,
Working Paper
, Title:

Comparison of the Performance of Fluorescent, Phosphorescent and TADF Luminophores for Explosives Sensing

, Authors: Michele Duarte Tonet, Graham Turnbull, Eli Zysman-Colman
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-8rnnr
 
Subject: Chemistry
,
Working Paper
, Title:

RAMBOAU: Risk-averse Multiobjective Bayesian Optimization with Aleatoric Uncertainty for Nanomaterial Synthesis

, Authors: Karim K. Ben Hicham, Nicholas A. Jose, Mohammed I. Jeraal, Jan G. Rittig, Alexei A. Lapkin
Version undefined posted 03 September 2025
Posted
Sep 03, 2025
10.26434/chemrxiv-2025-10gfq
 
Subject: Chemistry
,
Review
, Title:

Synergistic Catalytic Modulation of CO₂ Reactivity Toward C₈ Hydrocarbon

, Authors: Shuma Otsuka, Boon Presley, Edison Zhu
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-2t4f5
 
Subject: Chemistry
,
Working Paper
, Title:

Evidence for a fully Cu(II)-catalyzed CuAAC reaction: A combined experimental and computational study

, Authors: Matthew Andrews, Thomas Richardson, Aitor Maestro, Timothy Hilton, Lia Sotorrios, Carlos Martín-Fernández, Luca Craciunescu, Aidan McKay, Stuart Macgregor, Glenn Burley, Allan Watson
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-nk9gf
 
Subject: Chemistry
,
Working Paper
, Title:

Active Pharmaceutical Ingredients by Photochemical Deracemization: Chromanes as a Test Case

, Authors: Biki Ghosh, Maximilian Iglhaut, Daria Babushkina, Mike Pauls, Christoph Bannwarth, Thorsten Bach
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-8ssld
 
Subject: Chemistry
,
Working Paper
, Title:

Experimentally Mapping the Molecular Pathways and Intermolecular Forces that Drive Elasticity in Flexible Crystals

, Authors: William Stoll, Johanna Koelbel, Maria Petrov, Lincoln Katleski, Sina Najmaei, Tommaso Salzillo, Luca Catalano, Michael Ruggiero
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-mzbql
 
Subject: Chemistry
,
Working Paper
, Title:

Bright Tetra-BF2 Mechanophores in Elastomers: Reversible Bent-to-Planar Transitions and Mechanochromic Response

, Authors: Momoka Maeda, Luxia Cui, Ayano Tani, Hyuga Shinjo, Yoshifumi Amamoto, Takumi Ehara, Kiyoshi Miyata, Ken Onda, Yoshio Hisaeda, Yu Hoshino, Toshikazu Ono
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-18fwh
 
Subject: Chemistry
,
Working Paper
, Title:

Click conjugation using discrete polyketones enables dual anchoring of antibodies and nanowires for exosome profiling

, Authors: Kunanon Chattrairat, Akira Yokoi, Yumehiro Manabe, Yuki Ide, Takeshi Hasegawa, Mikiko Iida, Taiga Ajiri, Zetao Zhu, Ryosuke Uekusa, Masami Kitagawa, Yoshinobu Baba, Hiroaki Kajiyama, Yasuhide Inokuma, Takao Yasui
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-n859x
 
Subject: Chemistry
,
Working Paper
, Title:

Bifunctional Aziridines from Photochemically Generated FSO2NH2 for SuFEx Diversification of Alkenes

, Authors: Avinash Choudhury, Varun Prabhakar, Zakary B. Newman, Quentin Michaudel
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-3dl2c
 
Subject: Chemistry
,
Working Paper
, Title:

Organic Halogenation using Inorganic Halides and Visible-Light Photocatalyst Perylenediimide

, Authors: Pravat Nayek, Chidananda Biswal, Sandeepan Maity, Prasenjit Mal
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-9kfn1
 
Subject: Chemistry
,
Working Paper
, Title:

Mapping Antibiotic Photocatalytic Transformation and Resistance Risks with a DFT-Informed Machine Learning Workflow

, Authors: Chen-Chen Zhao, Sihan Xing, Cheng Fu, Lifeng Zheng, Shujuan Zhang, Jing Ma
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-qwcm6
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis, supramolecular assembly and hydrogelation of poly(amino ester) ABA triblock copolymers

, Authors: Chloé Pascouau, Kamila Wittek, Jessica Erlenbusch, Sebastian Becker, Jochen Fischer Schuch, Pablo G. Argudo, Pol Besenius
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-5vtk9
 
Subject: Chemistry
,
Working Paper
, Title:

Convergent Valorization via Scalable C=N Bond Electrosynthesis through Metal-Dopant Interfacial Engineering in a Flow Electrolyzer

, Authors: Ruijie Yi, Jiu Chen, Xiaoyong Mo, Shu-Chih Haw, Edmund Chun Ming Tse
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-gs2bk
 
Subject: Chemistry
,
Working Paper
, Title:

An excitation strategy for the initial condition generation for surface hopping trajectories using electron-only dynamics including explicit laser pulses

, Authors: Lorenz Grünewald, Laurens van Dam, Sebastian Mai
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-3p8c0
 
Subject: Chemistry
,
Working Paper
, Title:

Oxa-Michael Cascade [4+2] Annulation of Pyrazoledione-derived Morita–Baylis–Hillman (Pyro-MBH) Alcohols with Arylidene Pyarazolones: One pot Access to Dispiropyrazolone fused Tetrahydropyran

, Authors: Abhijeet S. Sabale, Mohit B. Khandeparkar, Onkar S. Bankar, Dr. Ramakrishna G. Bhat
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-j3drc
 
Subject: Chemistry
,
Working Paper
, Title:

CrystalNets: a web app for topology determination of crystalline structures

, Authors: Lionel Zoubritzky, François-Xavier Coudert
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-bmthz
 
Subject: Chemistry
,
Working Paper
, Title:

Activity Descriptors of Mo2C-based Catalysts for C-OH Bond Activation

, Authors: Raghavendra Meena, Michael J. Purcell, Wouter Kluijtmans, Han Zuilhof, Johannes H. Bitter, Runhai Ouyang, Guanna Li
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-pg52l
 
Subject: Chemistry
,
Working Paper
, Title:

Disguised Reactivities of Arylpotassium Species for Chemoselective Deprotonation in Microflow Reaction Field

, Authors: Kazuhiro Okamoto, Hiroki Nakayama, Shintaro Kamio, Aiichiro Nagaki
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-c2w7r
 
Subject: Chemistry
,
Working Paper
, Title:

A Heterometallic σ-Silane Adduct from Cooperative Reactivity of an Fe–Al Complex

, Authors: Mark Crimmin, Benedek Stadler
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-zq0jf
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the Full Potential of Mixed Ionic-Electronic Semiconductors – Avoiding Homocoupling to Boost Electrochemical Transistor Performance

, Authors: Lize Bynens, Paola Mantegazza, Adam Marks, Yeongmin Park, Arwin Goossens, Stefania Moro, Tyler James Quill, Garrett Lecroy, Christina Cheng, Arianna Magni, Laurence Lutsen, Jochen Vanderspikken, Simon E. F. Spencer, Koen Vandewal, Alberto Salleo, Giovanni Costantini, Wouter Maes
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-kr97b
 
Subject: Chemistry
,
Working Paper
, Title:

General Light-Induced Pd-Catalyzed Allylic C–H Alkylation of Internal Alkenes: Direct Access to Tertiary and Quaternary Carbon Centers

, Authors: Subham Pradhan, Gaurav Prakash, Vladimir Gevorgyan
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-bxh96
 
Subject: Chemistry
,
Working Paper
, Title:

Environmental impacts of future cotton production in the United States

, Authors: Pengxiao Zhou, Yilun Zhou, Jennifer Dunn
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-s9q4q
 
Subject: Chemistry
,
Working Paper
, Title:

epiGPTope: A machine learning-based epitope generator and classifier

, Authors: Natalia Flechas Manrique, Alberto Martínez, Elena López-Martínez, Luc Andrea, Román Orus, Aitor Manteca, Aitziber L. Cortajarena, Llorenç Espinosa-Portalés
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-hjjjb
 
Subject: Economics
,
Working Paper
, Title:

NONLINEAR STABILITY FRAMEWORK FOR COMPUTATIONAL GAME THEORY: COMPLETING NASH’S AGENCY FORMATION METHOD

, Authors: Paul Koepnick McKay
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.33774/coe-2025-8lbcf
 
Subject: Chemistry
,
Working Paper
, Title:

1,3-Dipolar Cycloaddition of Nitroalkanes as a Tool of DOS/LOS-like Strategy for the Synthesis of Isoxazoles and Isoxazolines

, Authors: Bohdan A. Chalyk, Kostiantyn O. Halos, Anastasiia Grynyova, Bohdan S. Sosunovych, Bohdan V. Vashchenko, Oleksandr Zginnyk, Ilona Saraieva, Anna Beshtynarska, Nataliia Shliakhtova, Petro Borysko, Angelina V. Biitseva, Konstantin S. Gavrilenko, Dmytro M. Volochnyuk, Oleksandr Grygorenko
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-fbxm3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Anti-communists in Name Only? Investigating Dynamic Political Ideology Among Generations of Vietnamese and Korean Americans

, Authors: Saranyan Uthayakumar, Damin Jung
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.33774/apsa-2025-9g8ft
 
Subject: Chemistry
,
Working Paper
, Title:

DNA-Independent Cytotoxicity of Furan-Based Cu(II) Schiff Base Complexes: A Ligand-Controlled Mechanistic Shift

, Authors: Margrate Thatcher Robert, ManojKumar Yesaiyan, Rohith Ramasamy, Buse Akturk, Basak Dalbayrak, Vijay Solomon Raja Durai, Elif Damla Arısan, Violet Dhayabaran Victor
Version undefined posted 04 September 2025
Posted
Sep 04, 2025
10.26434/chemrxiv-2025-7krb5
 
Subject: Chemistry
,
Working Paper
, Title:

RinQ: Towards predicting central sites in proteins on current quantum computers

, Authors: Shah Ishmam Mohtashim
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-zmd2s-v3
 
Subject: Chemistry
,
Working Paper
, Title:

One-pot base-free Suzuki [¹¹C]methylation: kinetic and mechanistic insights

, Authors: Oscar Moreno, Imad Azzeggarh, Jason P. Holland, Albert D. Windhorst, Jordi Llop
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-1pqz2
 
Subject: Chemistry
,
Working Paper
, Title:

Distilling Knowledge from Catalysis Literature with Long-Context LLM Agents

, Authors: Honghao Chen, Hongxuan Liu, Yishen Tew, Xiaotian Ren, Xiaojin Tang, Xiaonan Wang
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-925dv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Low-Temperature Solid-State Synthesis of Barium Sulfide: A Greener Alternative

, Authors: Will D. Tetlow, Oliver S. Hutter, Marc K. Etherington, Giulia Longo
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-9m8mx
 
Subject: Chemistry
,
Working Paper
, Title:

Antiaromatic Nanographenes by BODIPY-Fusion Strategy

, Authors: Kaisheng Wang, Koshiro Isono, Hideaki Takano, Juwon Oh, Shohei Kawakami, Ryota Sugimori, Ryohei Kishi, Sandipa Bhandari, Masatoshi Ishida, Dongho Kim, Hiroshi Shinokubo
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-2fpw5
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the (3+2) and (2+2) Cycloaddition Reactivities of Wheland Intermediates

, Authors: Shupeng Liu, Yilin Wang, Yuting Liu, Haifeng Lin, Ningbo Li, Jie Wang, Xinyu Zhang, Ayesha Tajammal, Muhammad Tahir, Haihan Yan, Weilin Wang, Yongliang Zhang, Youliang Wang
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-0dk9s
 
Subject: Chemistry
,
Working Paper
, Title:

Phenylalanine-based hydrophobic carbon dot for exploring the lipid phase-dependent distinct emission behavior and detection of biomolecular self-assembled structures

, Authors: Debanjan Bagchi, Suman Choudhury, Avijit Maity, Khushwant Saini, Naveen Kumar, Priyanka Nath, Huma Tabassum, Anjan Chakraborty
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-89fld
 
Subject: Chemistry
,
Working Paper
, Title:

Transformation of banana peels into banana peel wood

, Authors: Astrid DE LAPORTE, Bernard Haye, Jérôme Charliac, Guillaume P. Laurent, Patrick Le Griel, Pierre Carol, Ilan Raphael, Gervaise Mosser
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-jqwf2-v2
 
Subject: Chemistry
,
Review
, Title:

The Acid-Base Concept in Modern Supramolecular Chemistry

, Authors: Matteo Savastano
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-fdpm7
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Potential of Iron in Systems of Low Dimensionality

, Authors: David Johannes Büchner, Sun Myung Kim, Jan Philipp Hofmann, Vera Krewald, Marc Armbrüster, Rolf Schäfer
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-21xbn
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of ALD Chemistry for the Incorporation of Ru into TaN using the RuO4 Precursor

, Authors: Rita Mullins, Ji Liu, Michael Nolan
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-nsq25
 
Subject: Chemistry
,
Working Paper
, Title:

Skeletal Editing of Furans into Pyridines

, Authors: Prakash Kafle, Shuhei Yasuda, Daniel Nilson, Deacon Herndon, Rylan Fox, Indrajeet Sharma
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-vplrf
 
Subject: Chemistry
,
Working Paper
, Title:

A General Catalyzed Cyanation of Aryl Bromides and Hydrocyanation of Olefins Using Acetonitrile as Cyanide Surrogate

, Authors: Jingjing Meng, Suyun Sun, Sergi Danés, Mattia Vettori, Sergio Fernández, Julio Lloret-Fillol
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-0r8bn
 
Subject: Chemistry
,
Working Paper
, Title:

Tetrabutylammonium-Based Organosulfur Counter-Anion Additives on Li-Sulfur Battery Performance

, Authors: Luisa Gomes, Victor Ribeiro Sanctis, Yang Wei, Tongtai Ji, Ruizhi Dong, Kevin Yang, Junwei Lucas Bao, Sanjeev Mukerjee, Huidong Dai
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-7l10g
 
Subject: Chemistry
,
Working Paper
, Title:

Bio-based microfluidics with snail slime: A by-product of agriculture plays an exciting role in the chemistry of microfluidic reaction chambers.

, Authors: Andrea Koball, Jens Gaitzsch
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-zz5rl
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the Potential of an End-to-End AI Design Framework for Photoresponsive Drug Delivery.

, Authors: Junjie Hu, Peng Wu, Xiangyu Li, Qi Li, Yingying Fang, Shiyi Wang, Fenglei Cao, Alan Qi, Lulu Cai, Guang Yang
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-9dgq3
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic Coupling as the Key to Photochemical Deracemization by Asymmetric Triplet Energy Transfer

, Authors: Shuming Bai, Yuhsuan Lee
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-1kc2w
 
Subject: Chemistry
,
Working Paper
, Title:

Time-resolved photo-electrochemical measurements to study band bending of BiVO4 photoanodes

, Authors: Natalie Ottinger, Hilmar Clemens Scharf, Erwin N. Fernandez, Fatemeh Ebrahimi, Fatwa F. Abdi, Christian Jooss
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-1sd9x
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Ketones and Mono-fluorinated Ketones via Boron Enolates Formed by Substitution of Esters with Benzylboronic Esters

, Authors: Pankaj Kumar, Leah Mistry, Josephine Stewart, Graham Pattison
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-b4j3v
 
Subject: Chemistry
,
Review
, Title:

Exploring Ayurvedic Plant Compounds as Natural Inhibitors for Protein Caspase-1 in Diseases with Chronic Inflammation

, Authors: Bhavesh Narayana Anchala
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-ckj19
 
Subject: Chemistry
,
Working Paper
, Title:

Ru(II)-CNC pincer complexes with bis(protic-NHC): Comparative analysis with bis(classical-NHC) and mixed protic- & classical-NHC analogues

, Authors: Achena Saha, Ekta Yadav, Shambhu Nath, Ashu Singh, Amrendra K. Singh
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-fzxch
 
Subject: Chemistry
,
Working Paper
, Title:

Alcohol Oxidase–Imine Reductase Cascade for One-Pot Chiral Amine Synthesis

, Authors: Anya Miletic, Nicholas J Turner, Rebecca E Ruscoe
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-9v4xf
 
Subject: Chemistry
,
Working Paper
, Title:

Partially Saturated Copper(I) Rotaxane Complexes from Active Template Synthesis Enable O2-to-H2O Reduction under Acidic Conditions

, Authors: Yan Zhang, Hei Tung Yau, Yulin Deng, Zhuoliang Ying, Seungkyu Lee, Ho Yu Au-Yeung, Edmund Chun Ming Tse
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-jlhq5
 
Subject: Chemistry
,
Working Paper
, Title:

Role of idealized surface representations in computational AS-ALD: Assessing trimethoxypropylsilane blocking performance for Al2O3 deposition with crystalline SiO2

, Authors: Patrick Maue, Fabian Pieck, Ralf Tonner-Zech
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-v0flg
 
Subject: Chemistry
,
Working Paper
, Title:

Capturing live cell dynamics at the nanoscale by sweeping laterally at a fixed standoff

, Authors: Chang Il Shin, Wonkyung Cho, Taek Dong Chung
Version undefined posted 05 September 2025
Posted
Sep 05, 2025
10.26434/chemrxiv-2025-b9c5j
 
Subject: Language and Linguistics
,
Poster
, Title:

Innovative educational approaches to functional ELF use in tourism.

, Authors: Ida Parise
Version undefined posted 06 September 2025
Posted
Sep 06, 2025
10.33774/coe-2025-kh3wc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Adsorption Energies of Various Intermediates of Ammonia Synthesis on Pure Metal Catalysts

, Authors: Deepak Panda, Deepak Gorai, Raju Gupta, Lalit Pant, Shivam Tripathi
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-xxq8c
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Hydraulic System Reliability via XGBoost-Based Predictive Maintenance

, Authors: Anthony Asuquo
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-4b395
 
Subject: Chemistry
,
Working Paper
, Title:

Water-Guided Docking Improves Prediction of Protein–Glycan Complexes

, Authors: Jorge Octavio Lannot, Esteban Luciano Rey, Marcelo Daniel Gamarra, Marcelo Adrián Martí, Carlos Pablo Modenutti
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-8qvgh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chitosan/PVA/Starch ternary film with Ilex paraguariensis hydroalcoholic extract as antimicrobial active package for chilly beef

, Authors: Line Castro Bemme, Ricardo Stefani
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2023-sc1kc-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Supramolecular Stability: A Validated Framework Combining Orthogonal Topological and Electrostatic Descriptors

, Authors: Prasanna Kulkarni
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-737cq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanism of DNA Chemical Denaturation

, Authors: Daniel A. Ostrovsky, Mikhail V. Ostrovsky
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2024-gstxb-v7
 
Subject: Chemistry
,
Working Paper
, Title:

Reaction-Based De Novo Design of Synthetically Accessible Competitive Inhibitors Targeting Glutathione S-Transferase Theta 1 (GSTT1)

, Authors: Andrey Zhivnov
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-j05sk-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of the halogen PB radii in the estimation of protein-ligand binding energies using MM-PBSA calculations

, Authors: Andreia Fortuna, Paulo J. Costa
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2024-l32nf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Detection and quantification of counterion-mediated homologous recognition in double-stranded DNA

, Authors: Andrew Stannard, Ehud Haimov, Jonathan G. Hedley, Yaxuan Xiao, Marco Di Antonio, Gleb Oshanin, Claudia Danilowicz, Mara Prentiss, Lorenzo Di Michele, Alexei A. Kornyshev
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-fdrvr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A workflow for molecular dynamics simulation of casting polymer film formation

, Authors: Rudiere Luz Araújo, Ricardo Stefani
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-2l7cn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Note for Biochemical/Electrochemical/Physicochemical Hypergraphs and Superhypergraphs

, Authors: Takaaki Fujita
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-4j6tn
 
Subject: Chemistry
,
Working Paper
, Title:

Zn Metal Electroplating via Transient SEI Pulsed Methods: From µm to mm Scales

, Authors: Etienne Reine, Stephen Fuller, Kent Zheng
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-48z5c
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand Field Tuning of Photoreactivity: Contrasting Low-spin and High-spin Fe(III)-Azido Complexes

, Authors: Frederik Scherz, Vera Krewald
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-6xgg2
 
Subject: Chemistry
,
Working Paper
, Title:

strainedSMILES2xyz: A Workflow for Reliable 3D Structures of Strained Molecules from SMILES

, Authors: Tori Demuth, Julian Schnizer, Dennis Svatunek
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-30dqz
 
Subject: Mathematics
,
Working Paper
, Title:

Idempotent Elements in Tricomplex Numbers

, Authors: JOGENDRA KUMAR, ANAND KUMAR
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-837kl-v2
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Relative Cosmic Equilibrium: A Unified Framework for Mass, Gravity, and the Fundamental Forces

, Authors: Azeddine Ennabati
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-cl326
 
Subject: Chemistry
,
Working Paper
, Title:

Crystallization-Based Approach to Continuous Manufacturing: A Case Study of Acetaminophen Production

, Authors: Koichiro Masuda, Tetsuya Yamamoto, Kwihwan Kobayashi, Hidekazu Sano, Ikuo Saito, Aiichiro Nagaki, Akira Yada
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-m9rrt
 
Subject: Engineering
,
Working Paper
, Title:

A Taxonomy and Comprehensive Survey of Scenario Generation for Autonomous Driving: Methods, Challenges, and Emerging Trends in Safety-Critical Testing

, Authors: Arif Hossain
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-263kz
 
Subject: Mathematics
,
Working Paper
, Title:

A short program in MuPAD that computes in the limit a function f:N→N which eventually dominates every computable function g:N→N

, Authors: Apoloniusz Tyszka
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-wgs6s
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Petrographic and geochemical analysis of a vesicular silicate sample associated with the iron meteorite Turpan 003.

, Authors: Jose Garcia
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-bl9bg
 
Subject: Chemistry
,
Working Paper
, Title:

TrEnDi Enhances the LC-MS Detection of γ-Aminobutyric Acid

, Authors: Christian Rosales, Noah Lepinsky, Mohamed Ramadan, Jeffrey Manthorpe, Michael Jonz, Jeffrey Smith
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-p198b
 
Subject: Mathematics
,
Working Paper
, Title:

Extended spectral breakdown theory

, Authors: Ndoubahidi Ebenezer Mbaïassem
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-kvqzk
 
Subject: Computer Science
,
Working Paper
, Title:

Optimizing Shared Control Mechanisms for Collaborative Virtual Reality Interactions

, Authors: Zepeng Wu, X. Zhang
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-3nm4c
 
Subject: Computer Science
,
Working Paper
, Title:

Evaluating Control Strategies for Supernumerary Multi-Arm Interfaces in Virtual Reality Tasks

, Authors: X. Zhang, Zepeng Wu
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-l1cwz
 
Subject: Computer Science
,
Working Paper
, Title:

Enhancing Context-Aware Interaction in Collaborative VR Using Retrieval-Augmented Generation

, Authors: Peng Zhang, X. Zhang
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-50t75
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

On the Symmetry of Fundamental Interactions

, Authors: Dipeng Li
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-klj1m
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Generalized Newton's Laws of Motion

, Authors: Dipeng Li
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-r3kgj
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Vacuum pressure and the flow of time beneath the Earth's surface

, Authors: Vladimir Belayev
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2022-5j50g-v2
 
Subject: Mathematics
,
Working Paper
, Title:

On Chen's theorem, Goldbach's conjecture and almost prime twins III

, Authors: Runbo Li
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-5kl50
 
Subject: Chemistry
,
Working Paper
, Title:

EffiChem : Efficient Adaptation of Chemical Language Models for Molecular Property Prediction

, Authors: Harsha Harod, Kavya Agrawal, Ines Simeone, Michele Ceccarelli, Sukrit Gupta, Raghvendra Mall
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-2lljt
 
Subject: Chemistry
,
Working Paper
, Title:

Interactive software for interpreting and curating high-resolution electron ionization mass spectra

, Authors: Dmitriy D. Matyushin, Anastasia Yu. Sholokhova
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-30jxh
 
Subject: Chemistry
,
Working Paper
, Title:

Haptotropic phenomena in digold(I) triple-bonded complexes

, Authors: Ignacio Nieto-Vargas, Juan Cayuela-Castillo, Francisco J. Fernández-de-Córdova, Israel Fernández, Pablo Rios
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-63h9j
 
Subject: Chemistry
,
Working Paper
, Title:

Hypothesis-free, data-driven polymeric sensor arrays for a comprehensive quality assessment of cell-culture supplements

, Authors: Shunsuke Tomita, Kumi Morikawa, Naoshi Kojima, Sayaka Ishihara, Hiroyuki Kusada, Hideyuki Tamaki, Ryoji Kurita
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-9xwbd
 
Subject: Chemistry
,
Working Paper
, Title:

Olefin Coupling Catalyzed by (Pybox)Os Complexes via Osmacyclopentane Intermediates. Comparison with Isoelectronic (Phebox)Ir

, Authors: Ashish Parihar, Santanu Malakar, Soham Chakraborty, Michael C. Gallo, Thomas J. Emge, Faraj Hasanayn, Alan S. Goldman
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-wvffr
 
Subject: Chemistry
,
Working Paper
, Title:

A General Approach to Stereoregular Pseudo-Polysaccharides: Cationic Ring-Opening Polymerization of Monosaccharide Cyclic Thionocarbonates

, Authors: Na-Chuan Jiang, Yu Deng, Jiayi Fan, Madeline Loffredo, Caitlin Easton, Mark W. Grinstaff, Jia Niu
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-ww1p2
 
Subject: Chemistry
,
Review
, Title:

Automating Reasoning in Chemical Science and Engineering

, Authors: Tyler Josephson
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-q9bb1
 
Subject: Chemistry
,
Working Paper
, Title:

Redox Potential Prediction of Fe(II)/Fe(III) Complexes: A Density Functional Theory and Graph Neural Network Approach

, Authors: Fakhrul Bhuiyan, Hassan Harb, Rajeev Assary, Álvaro Vázquez-Mayagoitia
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-t9kmf
 
Subject: Chemistry
,
Review
, Title:

Quantum Computing for Chemical Applications: Variational Algorithms and Beyond

, Authors: Sumit Kumar, Kalpak Ghosh, Seung-Cheol Lee, Sharma S. R. K. C. Yamijala
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-7vwrj
 
Subject: Chemistry
,
Working Paper
, Title:

Thermodynamic and Kinetic Effects at the Onset of Cathodic Corrosion on Platinum

, Authors: Mark Aarts, Jamie Trindell, Marc Koper
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-cb8k6
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking OMol25-Trained Models on Experimental Reduction-Potential and Electron-Affinity Data

, Authors: Sawyer VanZanten, Corin Wagen
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-3stpx
 
Subject: Chemistry
,
Working Paper
, Title:

Site-Directed Spin Labeling with the Bis-Nitroxide AsymPol Enables Targeted DNP MAS NMR of RNA

, Authors: Rubin Dasgupta, Christian Steinmetzger, Ancy T. Wilson, Satyaki Chatterjee, Gunnar W. Reginsson, Snorri Th. Sigurdsson, Katja Petzold
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-1tkv0
 
Subject: Chemistry
,
Working Paper
, Title:

Terahertz Spectroscopy on Pyrite

, Authors: Miles Taylor
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.26434/chemrxiv-2025-w3gns-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Realignment and Congressional Deference to Trump

, Authors: Jeff Stonecash
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/apsa-2025-t5nfx
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Migrant Franchise Constellations

, Authors: Klaudia Wegschaider, Sebastián Umpierrez de Reguero, Rainer Bauböck
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/apsa-2025-fb5l7
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Frames of Nationalization: Conflict, Party Labels, and National Figures in Local News and its Impact on Affective Polarization

, Authors: Sean Ewing
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/apsa-2025-fvmbg
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Finding agency as a Taiwanese youth: On the cultural capital, social ties, and self-efficacy of Taiwanese prospective international graduate students

, Authors: Eric de Roulet
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/apsa-2025-l4j0f
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Persistence in the Concentration Camp Form: Boochani’s Manus Island

, Authors: Paul Gray
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/apsa-2025-5w33x
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Priming, Framing, and Public Support for Conditionality on U.S. Military Aid to Israel A Pre-Registered 2×3 Survey Experiment

, Authors: Hayl Al-Salehi
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/apsa-2025-s7wx3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Climate Disasters and Ethnic Tensions: Algeria’s 2021 Wildfires

, Authors: Ferial Menaifi
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/apsa-2025-0blwh
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Fair and Square Redistricting

, Authors: James Fox
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/apsa-2020-5vg8w-v14
 
Subject: Geography
,
Working Paper
, Title:

Advancing Supraglacial Lake Mapping in Antarctica: A Deep Learning Approach Using Sentinel-2 Imagery

, Authors: Jonas Köhler, Celia Baumhoer, Bert Wouters, Stef Lhermitte, Andreas Dietz
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/coe-2025-6svt4
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Perceptions of Segregation, Diversity, and Solutions

, Authors: Peter Woolley, Dan Cassino, Madelyn Ferrans
Version undefined posted 08 September 2025
Posted
Sep 08, 2025
10.33774/apsa-2025-wqjzp
 
Subject: Chemistry
,
Working Paper
, Title:

In Silico Design of Anthraquinone-Based Two-Photon Photosensitizers for NIR-Activated Photodynamic Therapy in Hypoxic Tumors

, Authors: Maciej Spiegel
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-539xw
 
Subject: Chemistry
,
Working Paper
, Title:

Aggregation Suppresses Internal Conversion and Enhances Triplet Yield in π-Rich Dyes by Vibronic Coupling Control: A Case Study of Hypericin Supramolecular Assembly

, Authors: Maciej Spiegel
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-5bcs5
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic and Kinetic Insights into Rubiadin Phototoxicity: Linking Theory to Photodynamic Efficiency

, Authors: Maciej Spiegel
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-t61jj
 
Subject: Chemistry
,
Working Paper
, Title:

The role of shape and interaction directionality on the crystalline phase behaviour of octahedral metal organic cages

, Authors: Emma Wolpert, Andrew Tarzia, Yuhang Zhu, Kim Jelfs
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-jx0fp
 
Subject: Chemistry
,
Working Paper
, Title:

Improved calculation framework for Prussian Blue analogues as a Battery Material

, Authors: Sebastian Baumgart, Mohsen Sotoudeh, Ivano E. Castelli, Axel Groß
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-s63k4
 
Subject: Chemistry
,
Working Paper
, Title:

Divergent HAT Pathways in Pyrimidopteridinetetraone Photocatalysis: Substrate-Gated Switch Between Direct HAT and PCET

, Authors: Zohreh Amanollahi, Luisa Zach, Tobias Taeufer, Huyen Vuong, Olga S. Bokareva, Jola Pospech
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-dzv3t
 
Subject: Chemistry
,
Working Paper
, Title:

In situ X-ray synchrotron studies reveal the nucleation and topotactic transformation of iron sulfide nanosheets

, Authors: Cecilia A. Zito, Lars Klemeyer, Francesco Caddeo, Brian Jessen, Sani Y. Harouna-Mayer, Lise-Marie Lacroix, Malte Langfeldt, Tjark L. R. Gröne, Jagadesh Kopula Kesavan, Chia-Shuo Hsu, Alexander Schwarz, Ann-Christin Dippel, Fernando Igoa Saldaña, Blanka Detlefs, Dorota Koziej
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-1wkq5
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Surface Restructuring and Carbonate-Mediated Pathways in Perovskite-Catalyzed CO Oxidation Revealed by Operando Spectroscopy

, Authors: Nicolas Cosanne, Daniel Cruz, Pierfrancesco Ticali, Hamidreza Hajiyani, Shilong Chen, Patrick Zeller, Thomas Götsch, Alexander Klyushin, Axel Knop-Gericke, Martin Muhler, Beatriz Roldan Cuenya, Robert Schlögl, Malte Behrens, Sharif Najafishirtari
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-s2f68
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling the Propane to Propene Conversion over WOx/SiO2 Catalysts: A Combined DFT and Microkinetic Modeling Study

, Authors: Monojit Patra, Anirban Bagdi, Biplab Rajbanshi
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-173gz
 
Subject: Chemistry
,
Working Paper
, Title:

Observation of Thermally-Activated Intersystem Crossing in Room-Temperature Phosphorescence of Weakly Donor-Acceptor-Donor π-Ternary Molecules

, Authors: Wenbin Huang, Chenlong Wei, Yuxin Zhu, Qian Zhang, Zikai He
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-1k7v1
 
Subject: Chemistry
,
Working Paper
, Title:

Tire-wear particles as potential ice nucleating agents in the atmosphere

, Authors: Si Yeun Huh, Jinjie Li, Christoph Salzmann
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-vl6p8
 
Subject: Chemistry
,
Working Paper
, Title:

LoRA-Chem: Modular Machine Learning for Multitask Prediction in Organic Reactions

, Authors: Ben Gao, Penghui Li, Di Zhang, Qian Tan, wanhao liu, Xunzhi Wang, Junxian Li, Shufei Zhang, Dongzhan Zhou, Yuqiang Li, Guoyin Yin
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-p7sxn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Breakdown and Salvation of Statistical Rate Theory in Biomolecular Photoinduced Electron Transfer

, Authors: Rafał Szabla, Cristina Barboza
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-w5rl5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Streamlined Chemoenzymatic One-Pot Process for the Enantioselective Total Synthesis of Tenuipesone A/B

, Authors: Marleen Hallamaa, Adam O'Connell, Joel Björklund, Yu-Chang Liu, Jan Deska
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-rbj31-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Collinoketones via Biomimetic [6+4] Cycloaddition

, Authors: Harrison Reiter, Tufan Mukhopadhyay, Fengyue Zhao, Qingyang Zhou, Fang Liu, Kendall Houk, Dirk Trauner
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-1jx1b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Local-Hybrid Functional with a Composite Local Mixing Function Built from a Neural Network and a Strong-Correlation Model

, Authors: Artur Wodyński, Martin Kaupp
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-q3mzp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tutorial: a beginner’s guide to fast neutron detection with a liquid organic scintillator

, Authors: Sergey Issinski, Aref E. Vakili, Ryan Oldford, Kuo-Yi Chen, Shota Higashino, Madeline Peterson, Benjamin R. Luginbuhl, Alvin W. Hendricks, Monika Stolar, Curtis Berlinguette
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-vvrjw
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond the Table: A Symmetric Spherical–Ring Representation of Chemical Periodicity

, Authors: Petr Zikl
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-5jvdj
 
Subject: Chemistry
,
Working Paper
, Title:

Micromap (µMap) Photoproximity Labeling for Integrated Phenotypic Screening and Accelerated Prioritization of Targeted Protein Degrader Compounds

, Authors: Steve Knutson, Danielle Morgan, Ryan McNamee, Jack Sloane, Jonathan Olsen, Steven Levine, Gabe Mintier, Monica Kwok, Payal Sheth, David MacMillan
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-17wcq
 
Subject: Chemistry
,
Review
, Title:

Fluorescent DNA Nanoprobes Decode Apoptotic Signals from Cytochrome c to Caspase-3

, Authors: Jingying Hu, Boting Yang, Sen Feng, Sijin Jiang, Qianqian Fang, Huixin Deng, Zhixing Jin, Biyue Zhu, Yongjian Jiang
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-v8rxp
 
Subject: Chemistry
,
Working Paper
, Title:

Self-supervised Domain Adaptation of Protein Language Model Based Solely on Positive Enzyme-reaction Pairs

, Authors: Tomoya Okuno, Naoaki Ono, Md. Altaf-Ul-Amin, Shigehiko Kanaya
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-484c9
 
Subject: Chemistry
,
Review
, Title:

Metabolomics of HPV Infection and Cervical Carcinogenesis: A Systematic Review of Human Studies

, Authors: Isabel Fernández-Prades, Coral Barbas, Víctor González-Ruiz
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-47hj9
 
Subject: Chemistry
,
Working Paper
, Title:

Sequence and force effects on ssDNA translocation through a protein nanopore: Coarse-grained steered molecular dynamics simulations

, Authors: Cagla Okyay, Jérôme Mathé, Nathalie Basdevant
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-jz1v6
 
Subject: Chemistry
,
Working Paper
, Title:

5,5'-Methylenedisalicylic acid Derivatives as Inhibitors of the Protein Phosphatase CppA in Chlamydia trachomatis

, Authors: Krishna Pandey, Olivia Slater, Gabrielle Jeschke, Maria Kontoyianni, Kyle Plunkett, Derek Fisher
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-lxj5p
 
Subject: Chemistry
,
Working Paper
, Title:

Methoxy Substitution and Alkyl Ligand Chain-Length Effects on DNA/BSA Binding and Anticancer Activity of Cobalt(III) Schiff Base Complexes

, Authors: Ambika Subramanian, Manojkumar Yesaiyan, Margrate Thatcher Robert, Rohith Ramasamy, Vijay Solomon Rajadurai, Gowdhami Balakrishnan, Arunachalam Sankaralingam
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-6dsqx
 
Subject: Chemistry
,
Working Paper
, Title:

End-to-End Workflows for Liquid Biopsy Biotyping Analysis Using Combined MALDI MS and Machine Learning Approach

, Authors: Lukáš Pečinka, Jaromíra Pantučková, Monika Vlachová, Lukáš Moráň, Tereza Růžičková, Petra Weselá, Lubomir Prokeš, Josef Havel, Luděk Pour, Sabina Ševčíková, Petr Vaňhara
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-kr3z2
 
Subject: Chemistry
,
Working Paper
, Title:

Noncovalent interaction energies with phaseless auxiliary-field quantum Monte Carlo

, Authors: Devesh Awasthi, Leon Otis, Emily Huang, James Shee
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-hvnfs
 
Subject: Chemistry
,
Working Paper
, Title:

Autonomous self-healing organic crystals for durable electronics

, Authors: Saikat Mondal, Hari Krishna Mishra, Ramanath Ghosh, Pratap Tanari, Mugdha Sahu, Rajesh Sahoo, Susobhan Das, Kalyan Jyoti Kalita, Jaydeep Kumar, Satyaprasad P. Senanayak, Dipankar Mandal, C Malla Reddy
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-73c8q
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetic insights into carbon nanotube-based neurotransmitter sensors by single molecule experiments

, Authors: Juliana Gretz, Chen Ma, Björn Hill, C. Alexander Schrage, Sebastian Kruss
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-tsh17
 
Subject: Chemistry
,
Working Paper
, Title:

Hollow Microneedle Patch integrated with paper-based analytical device for Multiplexed Quantification of Biomarkers in the Interstitial Fluid

, Authors: Kawin Khachornsakkul, Ruben Del-Rio-Ruiz, Hasika Suresh, Emma Gonzalez, Theresa Nguyen, Danilo Martins dos Santos, Sameer Sonkusale
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-29m8x
 
Subject: Chemistry
,
Working Paper
, Title:

A Bond-Rotation Approach to Molecular Simulation Theory

, Authors: Arindam Parai
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-v0pcf
 
Subject: Chemistry
,
Working Paper
, Title:

Intrinsic Advantage of Singlet Photosensitization in Electronic Coupling for Singlet Oxygen Generation

, Authors: Jiaying Chen, Jiayi Liang, Yulong Ding, Tongmei Ma, Shuming Bai
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-sgql8
 
Subject: Chemistry
,
Working Paper
, Title:

Exploiting a Cryptic Pocket in DsbA Through Structure-Guided Parallel Synthesis and Direct-to-Biology Screening

, Authors: Yildiz Tasdan, Gautham Balaji, James Davidson, Naureen Akhtar, Olga Ilyichova, Lucie Guetzoyan, Indu Chandrashekaran, Wesam Alwan, Helen Cobb, Menachem Gunzburg, AbdulBasir Hasanzada, Stephen Roughley, James Murray, Biswaranjan Mohanty, Ben Capuano, Bradley Doak, Martin Scanlon
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-hzb0c
 
Subject: Chemistry
,
Working Paper
, Title:

Constructing visible light-activatable luminogens with multiresponsive functions via a site-blocking design

, Authors: Xinyuan He, Jinghong Shi, Xinwen Ou, Ryan T. K. Kwok, Jianwei Sun, Lianrui Hu, Jacky W. Y. Lam, Ben Zhong Tang
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-7lkqs
 
Subject: Chemistry
,
Working Paper
, Title:

Capture of Low-concentration Carbon Dioxide with Ultrafast-synthesized MOR-type Zeolites as Adsorbents

, Authors: Duanxing Li, Xiaofei Lu, Anand Chokkalingam, Kenta Iyoki
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-mqhbd
 
Subject: Chemistry
,
Working Paper
, Title:

UV-induced ordered patterning of two-dimensional layered copper halide perovskites

, Authors: Atreyie Ghosh, Joseph L. Spellberg, Matthew Du, Yixuan Dou, Arashdeep S. Thind, Shengdong Qi, Janek Rieger, Calvin Raab, Suriyanarayanan Vaikuntanathan, Robert F. Klie, Lina Quan, Sarah King
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-4r6dw
 
Subject: Chemistry
,
Working Paper
, Title:

Copper-Mediated Nucleophilic Desulfurization of Thiols

, Authors: Corinna Schindler, Sean Burns, Oscar Fernandez Lama
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-vl7tt
 
Subject: Chemistry
,
Review
, Title:

Accessing and Utilizing Thiols in Organic Chemistry

, Authors: Corinna Schindler, Sean Burns, Oscar Fernandez Lama, Matthew Liu, Lillian Carleu, Liam Krueckl
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-wkwwv
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamically Chiral Expanded Helicenes

, Authors: August J. Rothenberger, Inji Park, Gavin R. Kiel, T. Don Tilley
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-mf1bm
 
Subject: Chemistry
,
Working Paper
, Title:

Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry

, Authors: Ashanthi Kumari Katuwana Arachchige, Brett Lottes, Daniel Unruh, Samuel Greer, Benjamin Stein, Korey Carter
Version undefined posted 09 September 2025
Posted
Sep 09, 2025
10.26434/chemrxiv-2025-fkq5s
 
Subject: Chemistry
,
Working Paper
, Title:

De Novo Discovery of Bicyclic Competitive Inhibitors of Zika Virus Protease from Peptide–Bismuth Phage Display Screening

, Authors: Upamali Somathilake, Minghao Shang, Christoph Nitsche
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-fdf53
 
Subject: Chemistry
,
Working Paper
, Title:

Synergistic High Entropy Effect and Coke Resistance Capability toward Stable Catalyst Design for CO2-assisted C3H8 Dehydrogenation

, Authors: Fang Zhang, Duanxing Li, Shinya Furukawa
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-krcf8
 
Subject: Chemistry
,
Working Paper
, Title:

Designing hybrid materials of superalkali-complexed cyclo[18]carbon precursor, M3O@C18Br6 (M = Li, Na, and K), with advanced optical properties

, Authors: Wenwen Zhao, Xiufen Yan, Tian Lu, Zeyu Liu
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-9bpl8
 
Subject: Chemistry
,
Working Paper
, Title:

A Molecular-Based Artificial Photosynthetic System Driving Efficient Overall Solar Water Splitting by One-Step Visible-Light Excitation

, Authors: Xin Yan, Yuki Tomita, Ken Sakai, Hironobu Ozawa
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-mj10j
 
Subject: Chemistry
,
Working Paper
, Title:

In Silico Cavity Detection-Guided Docking Reveals Epigallocatechin Gallate as a Multitarget Phytochemical and Ursolic Acid as a Selective SGLT2/PPARγ Modulator in Type 2 Diabetes Mellitus Polypharmacology

, Authors: Yathu Krishna Y K
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-g13lq
 
Subject: Chemistry
,
Working Paper
, Title:

Single-Molecule Mapping of DFT Molecular Energetics and Binding Dynamics of a Multifunctional Molecule Using Whispering Gallery Mode Sensors

, Authors: Kulathunga Mudalige Kalani Gayanthika Perera, Sivaraman Subramanian, Srikanth Pedireddy, Frank Vollmer
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-txs90
 
Subject: Chemistry
,
Working Paper
, Title:

Experiments with data-augmented modeling of ADME and potency endpoints in the ASAP-Polaris-OpenADMET Antiviral Challenge

, Authors: Mounika Srilakshmi, Ida Titus, Ashok Palaniappan
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-1tb2m
 
Subject: Chemistry
,
Working Paper
, Title:

Optimizing Molecular Glues Using Free Energy Perturbation and Cofolding Methods

, Authors: Dominykas Lukauskis, Naail Kashif-Khan, Christopher Tame, Andrew Potterton
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-tb29n
 
Subject: Chemistry
,
Working Paper
, Title:

PdGa Alloy Dynamics under CO2 Hydrogenation from Surface Organometallic Chemistry on a Chip and Operando Transmission Electron Microscopy

, Authors: Enzo Brack, Milivoj Plodinec, Christophe Copéret
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-hwdq6
 
Subject: Chemistry
,
Working Paper
, Title:

Electrolysis-Assisted Reduction of Dimethylformamide for Unactivated Alkene Functionalizations

, Authors: Yifan Xi, Sulekha Sharma, C. Oliver Kappe, Gabriele Laudadio
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-526dj
 
Subject: Chemistry
,
Working Paper
, Title:

Bicyclic 1,4-Dioxepanes – Novel Advanced Building Blocks for Drug Discovery

, Authors: Andrii V. Bondarenko, Yevhenii Kozyriev, Illia O. Doroshenko, Dmytro Lesyk, Petro Borysko, Bohdan V. Vashchenko, Oleksandr O. Grygorenko
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-vgg8d
 
Subject: Chemistry
,
Working Paper
, Title:

Rf-driven leakage of triple-quantum coherence in MAS NMR of spin-3/2 nuclei

, Authors: Diego Carnevale
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-r61ch
 
Subject: Chemistry
,
Working Paper
, Title:

Analytical Techniques for Forensic Investigation of Oversized and Fragmented Exhibits in Mixed Explosive Detonations

, Authors: D KUMAR
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-fhfj0
 
Subject: Chemistry
,
Working Paper
, Title:

Pyreno-1,2,4-Triazines as Multifunctional Luminogenic Click Reagents

, Authors: Hind Alshaikh, Jonathan Parsons, Gary Askwith, Michael Deary, Catherine Nicholson, Mark Sims, Valery Kozhevnikov
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-lspff
 
Subject: Chemistry
,
Working Paper
, Title:

Aerohydrogels as Tailored Cell Scaffolds

, Authors: Torge Hartig, Margarethe Hauck, Mohammadreza Taale, Wiebke Reichstein, Gabriel Chan, Lennart Voss, Christian Rimmbach, Grace Atteh, Sadaf Pashapour, Christine Arndt, Maximilian H. Burk, Tim Tjardts, Florian Rasch, Thomas Strunskus, Stefan Rehders, Robert David, Lorenz Kienle, Benjamin R. Freedman, Christine Selhuber- Unkel, Rainer Adelung, Franz Faupel, Fabian Schütt, Stefan Schröder
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-qw4p5
 
Subject: Chemistry
,
Working Paper
, Title:

When Machine Learning Models Learn Chemistry II: Applying WISP to Real-World Examples

, Authors: Kerrin Janssen, Jan M. Wollschläger, Jonny Proppe, Andreas H. Göller
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-zdqgr
 
Subject: Chemistry
,
Working Paper
, Title:

C6-ROMP: Structure-Guided Monomer Design for Chemically Recyclable Polymers

, Authors: Kyungmin Choi, Wootae Choi, Minjun Chung, Byeongwoo Im, Soon Hyeok Hong
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-pbmzg-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular determinants of solvent nanoseparation by nanoporous carbon materials

, Authors: Sofia Kolin, Moritz Marquardt, Gotthold Fläschner, Martin Kessler, Stefan Naumann, Kristyna Pluhackova
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-0p0zz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

TICT Caused Quenching in Organic Semiconductors

, Authors: Bei Yang, Chunyang Yin, Veaceslav Coropceanu, Jianhui Hou, Shaoqing Zhang, Zhiguo Zhang, Jun Yuan, Yingping Zou, Yuze Lin, Feng Liu, Xiaozhang Zhu, Yahui Liu, Jun Liu, Hongliang Zhong, Xin Guo, Long Ye, Shuixing Li, Hongzheng Chen, Feng Gao
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-vg2qh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluation of the ABCG2 charge model in protein–ligand binding affinity calculations

, Authors: Sudarshan Behera, Vytautas Gapsys, Bert de Groot
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-j8bgp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Sculpting with Sulfur: Programmed-Degradable Polythionoesters via Polyester Metamorphosis

, Authors: Max Hill, Janna Jeschke, Hatice Mutlu, Jennifer Garden
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-c3bn3
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of Electron-Donating and Electron-Withdrawing Groups on One- and Two-Photon Absorption Properties on Modified Adenine and Guanine Nucleobases

, Authors: Ismael A. Elayan, Alex Brown
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-9frj7
 
Subject: Chemistry
,
Working Paper
, Title:

Sustainable Separation of Rare Earth Elements from Wastes

, Authors: Shichen Xu, Justin Sharp, Bing Deng, Qiming Liu, Lucas Eddy, WeiQiang Chen, Jaeho Shin, Shihui Chen, Haoxin Ye, Khalil JeBailey, Bowen Li, Tengda Si, Kai Gong, James Tour
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-pqkj3
 
Subject: Chemistry
,
Working Paper
, Title:

WDK-VENUS: A Streamlined and Modular Workflow for High-Temperature Dynamics and Kinetics of Atom-diatom Collisions

, Authors: Jiawei Yang, Jun Li
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-hs9lr
 
Subject: Chemistry
,
Working Paper
, Title:

The Role of a [2.2]Paracyclophane Moiety in Piezofluorochromism of Crystalline Organoboron Complexes

, Authors: Shun Irii, Takuya Ogaki, Shun Yamamoto, Hana Miyashita, Kazutaka Nobori, Hiroki Iida, Yoshiki Ozawa, Masaaki Abe, Hiroyasu Sato, Yasunori Matsui, Hiroshi Ikeda
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-vvx04
 
Subject: Chemistry
,
Working Paper
, Title:

A Simple and Practical Wax-Encapsulation Method for Air-Sensitive XAS Samples

, Authors: Oscar Oehlsen, Frank MacGregor, Matthew Jones, Alejandra Gomez-Torres, Liane Moreau, Joshua Wright, Lu Ma, Skye Fortier
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-qg8p2
 
Subject: Chemistry
,
Working Paper
, Title:

Magneto-voltaic Activity of Single-atom Iron on Reduced Graphene Oxide for Magneto-catalytic Conversion of H2O2 into O2

, Authors: Chieh-Wei Chung, Jyun-Yau Huang, Jing-Guan Liang, Linda Iffland, Chong-Chi Chi, Jeng-Lung Chen, Ting-Shan Chan, Chi-Liang Chen, Ying-Rui Lu, Chieh-Cheng Huang, Ho-Hsiu Chou, Zong-Hong Lin, Ying-Chieh Chen, Ming-Yen Lu, Ulf-Peter Apfel, Yei-Chen Lai, Tsai-Te Lu
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-sgbpw
 
Subject: Chemistry
,
Working Paper
, Title:

A Physics-Informed Fingerprint for Generalizable Prediction of Supramolecular Stability

, Authors: Prasanna Kulkarni
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-9732l
 
Subject: Chemistry
,
Working Paper
, Title:

Skeletal transformation to chiral molecular nanocarbons

, Authors: Junichiro Hirano, Tomoyuki Ikai, Hiroshi Shinokubo, Norihito Fukui
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-m3m0q
 
Subject: Chemistry
,
Working Paper
, Title:

Novel solution-processed amorphous WS2 thin films with efficient hydrogen evolution

, Authors: Talha Nisar, Muhammad Adeel Asghar, Abu Nasar Siddique, Ali Haider, Veit Wagner
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-sp222
 
Subject: Philosophy
,
Working Paper
, Title:

Arboreal Consciousness: A Philosophical and Biological Inquiry into Trees, Mycelium, and the Future of Intelligence

, Authors: Nana Kofi Amoako Glover
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.33774/coe-2025-s5bm1
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Blame It on China? Liberal Order in Crisis and Belt and Road Initiative Effect

, Authors: Steven Cheng-Han Huang, Ya Yuan Lai, Hung-Kuan Lee
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.33774/apsa-2025-zblnz
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis and Anticancer Study of (+)-Verticillin A

, Authors: Walker Knauss, Xiuqi Wang, Mariella Filbin, Jun Qi, Mohammad Movassaghi
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2025-k6tgk
 
Subject: Chemistry
,
Working Paper
, Title:

Observation and Analysis of Model Lipid Raft Deformation Dynamics Induced by Lipoprotein–Gold Nanorod-based Devices to Manipulate Phase Transition of Lipid Bilayer

, Authors: TOMOHIRO NOBEYAMA
Version undefined posted 10 September 2025
Posted
Sep 10, 2025
10.26434/chemrxiv-2023-rq355-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Emergence of Biomimetic Dynamic Cytoskeleton from Adaptive Coacervates

, Authors: Alisha Kamra, Abhay Srivastava, Subinoy Rana
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-rx3pn
 
Subject: Chemistry
,
Working Paper
, Title:

Flexibility of oxygen sublattice and hydrogen bond length predict proton mobility in ternary metal oxides

, Authors: Heejung W. Chung, Pjotrs Žguns, Ju Li, Bilge Yildiz
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-7m7dt
 
Subject: Chemistry
,
Working Paper
, Title:

SYNTHESIS AND CHARACTERIZATION OF COORDINATION COMPOUNDS OF TRANSITION METALS BASED ON 5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE

, Authors: Yuliia Davydenko
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-0brf5
 
Subject: Chemistry
,
Working Paper
, Title:

Concentration Effects of Co and Cu Dopants in β-Ni(OH)2 on Ammonia Oxidation Activity and Selectivity

, Authors: Shayne J. Johnston, Brendan D. Paget, Jesper A. Biesenthal, Daniel J. Quintal, Leanne D. Chen
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-2244d
 
Subject: Chemistry
,
Working Paper
, Title:

Phenomena-Based Graph Representations and Applications to Chemical Process Simulation

, Authors: Yoel Cortes-Pena, Victor Zavala
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-86jhv
 
Subject: Chemistry
,
Working Paper
, Title:

Trace Detection of Perfluorooctanoic Acid in Water Using a Microfluidic Electrochemical Sensor with a Stand-Alone Molecularly Imprinted Polymer

, Authors: Ayobami Elisha Oseyemi, Pouya Rezai
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-m27j4
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation and Correction of Size-Dependent Transport Efficiencies of Microparticles in SP ICP-MS Analysis

, Authors: Matthias Elinkmann, Katharina Kronenberg, Elena Ellmeier, Elke Schwarzenberger, Lhiam Paton, Raquel Gonzalez de Vega, Stefano Angiari, David Clases
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-2jg0r
 
Subject: Chemistry
,
Working Paper
, Title:

Hyperstructures and SuperHyperstructures in Biochemical, Electrochemical, Geochemical, Photochemical, Radiochemical, and Neurochemical Systems

, Authors: Takaaki Fujita
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-gpt92
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Fuzzy graphs, hypergraphs, and superhypergraphs

, Authors: Takaaki Fujita
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-07mkf
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Directed, Bidirected, and Multidirected graphs

, Authors: Takaaki Fujita
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-19ztm
 
Subject: Chemistry
,
Working Paper
, Title:

Curried Graph, Curried Hypergraph, and Curried SuperHypergraph Functions with Applications to Molecular Structures

, Authors: Takaaki Fujita
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-cvdvq
 
Subject: Chemistry
,
Working Paper
, Title:

Electrosynthesis of oximes and amines from CO and nitrite with a cobalt phthalocyanine catalyst

, Authors: Siwen Zhao, Afridi Zamader, Ajeet Singh, Esther Nubret, Shuai Yan, Nikolai Kornienko, Claudia Morais, Boniface Kokoh, Marc Robert
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-mmcqc
 
Subject: Chemistry
,
Working Paper
, Title:

Activity and Stability Assessment of Pt/C and FeNC catalysts through a Channel Flow Cell

, Authors: Sumin Lim, Pallabi Bhuyan, Timo Imhof, Guilherme Fortunato, Wei Zhao, Justus Bienert, Ulrike Kramm, Marc Ledendecker
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-fz0mz
 
Subject: Chemistry
,
Working Paper
, Title:

Polyethylene Upcycling to Diacids Using Acid-Only Activation

, Authors: Brandon Howard, Michael Behrendt, Kylie Radde, John Dorgan, Scott Calabrese Barton
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-rqmzs
 
Subject: Chemistry
,
Working Paper
, Title:

Effective Proton Concentration as a Descriptor for Local Reaction Environment of Nanoparticle-Based Electrocatalysts

, Authors: Yufan Zhang, Tobias Binninger, Jun Huang, Michael Eikerling
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-33k4c
 
Subject: Chemistry
,
Working Paper
, Title:

Explainable GNN Framework Guided by Local Chemical Features to Predict Binding Energies in Bimetallic Alloys

, Authors: Andrés Felipe Usuga, CS Praveen, Aleix Comas-Vives
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-s2p1s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Switchable Rhodamines for Molecular Electronics

, Authors: Lan Pham, Matthew Hight, Grace Wang, Ashley Pimentel, Lamia Haque, Timothy Su
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-2t7vv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Visible inside the pressed and closed battery cells through optically transmitting ultra-thin electrode

, Authors: Mitsunori Kitta, Hikaru Sano, Yuta Maeyoshi
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-zx6rk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

In Situ X-ray Diffraction During Ball Milling Reveals Poorly Crystalline Metastable Intermediates During the Formation of Disordered Rocksalt Oxyfluorides

, Authors: Mikkel Juelsholt, Laura Glei Graversen, Lakshmi Bhai, Asya Svirinovsky-Arbeli, Susie Park, Tara DuBridge, Sebastian Leiting, Martin Aaskov Karlsen, Martin Etter, Marcella Lusardi, Claudia Weidenthaler, Lauren E. Marbella
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-mzl11-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Nonadiabatic dynamics of photoexcited Thiopyridone isomers: An interplay between El-Sayed’s conditions and energy gap law

, Authors: Sambit Kumar Das, Douglas Garratt, Kelly Gaffney, Michael Odelius
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-cjls7-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Introducing Germanium Click Chemistry: GeFEx-S - Thiol-Selective Fluoride Exchange On-Water

, Authors: Shoujun Sun, Elliot J. Smith, Dharmendra Vishwakarma, Adam D. Moorhouse, John E. Moses
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-sms1h
 
Subject: Chemistry
,
Working Paper
, Title:

Vibrational Couplings in the NO Stretch Region in Diiron Trinitrosyl Complexes

, Authors: Hayden A. Moran, Abigail F. Moody, Mark A. Boyer, Paul Garrett, Manuel Quiroz, Sarnali Sanfui, Marcetta Y. Darensbourg, Carlos R. Baiz, Daniel P. Tabor
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-nmjrl
 
Subject: Chemistry
,
Working Paper
, Title:

Comprehensive synthesis of K48/K63 ubiquitin pentamers by graph-empowered automation

, Authors: Sohei Majima, Eric Kummelstedt, Toshiki Mikami, Leonardo Seidl, Jiling Han, Jeffrey Bode
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-943j7
 
Subject: Chemistry
,
Working Paper
, Title:

A New Paradigm for Flowless Zn–Br2 Aqueous Cathodes: Fast Kinetics and Stability via Entrapped Phosphonium Bromides

, Authors: Elad Ballas, Amit Ohayon, Keren Barchichat, Guoxiu Wang, Doron Aurbach, Malachi Noked
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-gtk73
 
Subject: Chemistry
,
Working Paper
, Title:

Order to disorder transition due to entropy in layered and 2D carbides

, Authors: Brian Wyatt, Yinan Yang, Paweł Michałowski, Tetiana Parker, Yamilée Morency, Francesca Urban, Givi Kadagishvili, Manushree Tanwar, Sixbert Muhoza, S. Kartik Nemani, Annabelle Bedford, Hui Fang, Zachary Hood, Junwoo Jang, Krutarth Kamath, Bethany Wright, Rebecca Disko, Anupma Thakur, Sanguk Han, Neil Ghosh, Xianfan Xu, Zahra Fakhraai, Yury Gogotsi, Aleksandra Vojvodic, De-en Jiang, Babak Anasori
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-7f2c4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

10 Rules for a Structural Bioinformatic Analysis

, Authors: Stephanie Wankowicz
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-rgw79
 
Subject: Chemistry
,
Working Paper
, Title:

Advanced Fluctuation Assay and R-Based Analysis Protocol for Estimating Mutation Rates of H3K9-Methylated Heterochromatin

, Authors: Ola Abdalla, Cameron Walker
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-0d3c5
 
Subject: Chemistry
,
Working Paper
, Title:

Local chemical compartments in a mammalian cortex measured in-vivo with silicon nanodialysis mass spectrometry platform

, Authors: Weihua Shi, Keyin Li, Yu Ding, Alex Armstrong, Jonathan Sweedler, Yurii Vlasov
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-n00dk
 
Subject: Chemistry
,
Working Paper
, Title:

Photoenzymatic stereodivergent hydrophosphinylation to access diverse P-chirogenic and P-/C-bichirogenic phosphorus compounds

, Authors: Kaihao Mou, Zehua Tian, Weihua Xu, Xiuwen Kang, Zhiguo Wang, Bei Ding, Qi Wu
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-ssqg9
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Isolation of Bismuth Scorpionate Complexes: Towards Bond Activation via Bismuth-Ligand Cooperation

, Authors: Lennart Hensle, Viktoria H. Gessner
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-x37pb
 
Subject: Chemistry
,
Working Paper
, Title:

Geranyl ester components of volatile chemical products readily induce black carbon restructuring

, Authors: Christian Escritt, Habeeb Al-Mashala, Elijah Schnitzler
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-5ngrk
 
Subject: Chemistry
,
Working Paper
, Title:

Transparent Insulators with a Tough Nanocellulose Skeleton Formed via Freeze-Drying

, Authors: Xinyi Hou, Junki Kotsuka, Wataru Sakuma, Tomoki Ito, Yuto Kaku, Zhifang Sun, Shuji Fujisawa, Tsuguyuki Saito
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-q6vtk
 
Subject: Chemistry
,
Working Paper
, Title:

A general and highly efficient synthesis of photostable cyanines for super-resolution imaging

, Authors: Yujie Han, Chenming Chan, Qi-Wei Zhang, Yang Tian
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-8f4kk
 
Subject: Chemistry
,
Working Paper
, Title:

Innovative γ-Oryzanol and KC2 Based Lipid Nanoparticles: OryKL Platform Provides Safe and Efficient In Vivo mRNA Delivery

, Authors: Pengkai Shi, Haikun Liu, Ahmed Refaat, Hung Nguyen, Anne Nguyen, Kaiting Miao, Yuyang Song, Sylvain Trépout, Rico Tabor, Liliana de Campo, Karlheinz Peter, Mark Louis Vidallon, Xiaowei Wang
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-92mrw
 
Subject: Management
,
Working Paper
, Title:

Gen Z Protests and Role of Social Media in Nepal (September 8–10, 2025)

, Authors: Jyoti Koirala
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.33774/coe-2025-x0j4z
 
Subject: Economics
,
Working Paper
, Title:

All the reasons to reject the AS-AD model

, Authors: Salvatore Michele De Marco
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.33774/coe-2025-0cgc0
 
Subject: Chemistry
,
Working Paper
, Title:

Near-Unity Green Emission from 2D Dion–Jacobson Double Perovskites (PDMA)2NaInCl8

, Authors: Yueqi Shen, Jing Wu, Shengze Ban, Jianyi Huang, Yefeng Zhou, Wanxin Chen, Qingyun Han, Li Wan, Bo Wu, Weihua Ning, Jianpu Wang, Wei Huang
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-gsp9c
 
Subject: Chemistry
,
Working Paper
, Title:

Reductive homo-coupling of electrophiles towards symmetric biaryls via photo-redox and Nickel catalysis

, Authors: Sadiq Strey, Kristin Olbricht, Daniel Sommer, Dino Berthold
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-dpw0x
 
Subject: Chemistry
,
Working Paper
, Title:

Anionic Polymerization of o-Phthalaldehyde and rac-Lactide by Discrete, Binucleated Dilithium mu-Amide Catalysts

, Authors: Pratyush Naik, Zipeng Gu, Robert Comito
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-lq8r4
 
Subject: Chemistry
,
Working Paper
, Title:

Stereodivergent Construction of Decalin-Based Terpenoids

, Authors: Samantha L. Barlock, Alexander S. Shved, Kayla D. Landers, Binh Khanh Mai, Shogo Fujiki, Wai Yam Lo, Peter C. Ryffel, Andrew G. Feng, Viet D. Nguyen, David A. Petrone, Scott E. Denmark, David Sarlah
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-8r6bx
 
Subject: Chemistry
,
Working Paper
, Title:

A Molecular Dynamics Assisted Machine Learning Approach to Locate the Transition Point of a Mixture of Deep Eutectic Solvent and Water

, Authors: Deepak Kumar Panda, Tarun Kumar Kundu, Deepak Kumar Gorai
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-wvqlp
 
Subject: Chemistry
,
Working Paper
, Title:

Associative vs. dissociative binding of CO2 on M4 transition metal clusters

, Authors: Sherfi Sherif, Bala Velmurugan, Naeem Abbas, Muskanbanu Shaikh, Matthew Addicoat
Version undefined posted 11 September 2025
Posted
Sep 11, 2025
10.26434/chemrxiv-2025-854rg
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing Photochemically Generated Sulfenylnitrene for Stereocontrolled 1,2-cis Glycosylations

, Authors: Surya Pratap Singh, Prabhat Kharel, Upasana Chatterjee, Indrajeet Sharma
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-3429x
 
Subject: Chemistry
,
Working Paper
, Title:

Velocity Updates from Machine Learning for Stable Molecular Dynamics Integration

, Authors: Guy Dayhoff, Sameer Varma
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-ds2pb-v2
 
Subject: Chemistry
,
Review
, Title:

Interfacial Photothermal Solar Desalination: A Call to Repentance

, Authors: Christopher Fellows, Mustakeem Mustakeem, Ahmed Al-Ghamdi, Trevor Brown, Seungwon Ihm
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-fvc37-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Automated Synthesis and Fragment Descriptor–Based Machine Learning for Retention Time Prediction in Supercritical Fluid Chromatography

, Authors: Sitanan Sartyoungkul, Balasubramaniyan Sakthivel, Pavel Sidorov, Yuuya Nagata
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-s2qhv
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient multifunctional organic diode toward light-harvesting display

, Authors: Qing-Jun Shui, Naoya Aizawa, Atsuko Nihonyanagi, Daigo Miyajima, Ken-ichi Nakayama, Yutaka Majima, Seiichiro Izawa
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-xhg7v
 
Subject: Chemistry
,
Working Paper
, Title:

Motion Matters: The Role of Milling Ball Trajectories in Mechanochemical Reactions

, Authors: Marisol Rappen, Justus Maeder, Sven Graetz, Lars Borchardt
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-8qmrl
 
Subject: Chemistry
,
Working Paper
, Title:

Tungsten Silicate Microspheres by Microwave-Assisted Sol-Gel Condensation Approach and Their Activity in Ethanol Dehydration

, Authors: David Skoda, Tomas Pokorny, Barbora Hanulikova, Ales Styskalik, Zuzana Hlavenkova, Lucie Simonikova, Ivo Kuritka, Claude Poleunis, Damien P. Debecker
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-q8280
 
Subject: Chemistry
,
Review
, Title:

Grand Challenges and Opportunities in Stimulated Dynamic and Resonant Catalysis

, Authors: Matteo Monai, Wiebke Albrecht, Achim Alkemper, Nongnuch Artrith, Andrea Baldi, Arik Beck, Ryan T. Berry, Ettore Bianco, Floor A. Brzesowsky, Qi Dong, Jimmy Faria Albanese, Renee Frontiera, Elaina Galvin, Erik C. Garnett, Nick Gerrits, Marek Grzelczak, Marc Herzog, Franziska Hess, Alexander A. Kolganov, Wouter Koopman, Nikolay Kosinov, Sarah Lander, Enrico Lepre, D. Nicolette Maaskant, Guobin Miao, Aadesh Mohan Naik, Tzia Ming Onn, Andrew Peterson, Diana Piankova, Evgeny A. Pidko, Korawich Trangwachirachai, Floris van den Bosch, Di Xu, Begum Yilmaz, Johannes Zeininger, Esther Alarcón Lladó, Jörg Meyer, Paul Dauenhauer, Sven H. C. Askes
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-6czq6
 
Subject: Chemistry
,
Working Paper
, Title:

Probing the Limits of Antimicrobial Peptide-Siderophore Uptake to Gram-Negative Bacteria: A Nisin-Desferrioxamine B Bioconjugate with Antimicrobial Activity Against Pseudomonas Aeruginosa

, Authors: Rebecka Isaksson, Gorjan Stojanovski, Subramanian Gramani, Kersti Karu, John Ward, Jack Jeffries, Alethea Tabor
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-rfn68
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

, Authors: Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-zw4f4
 
Subject: Chemistry
,
Working Paper
, Title:

Macroscopic assembly of centimeter-scale monolayer two-dimensional DNA origami polymers

, Authors: Yunxiao Lin, Haishan Xu, Yongjun Liu, Bochen Li, Xiaodong Xie, Yaya Hao, Zhaoshuai Gao, Yiyong Mai, Chaochong Wu, Sisi Jia, Xiaoguo Liu, Chunhai Fan
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-b09hz
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Vertical Ferroelectric Polarization Using Growth Spirals

, Authors: Debismita Dutta, Tigran Simonian, Joydipto Bhattacharya, Michael Schmidt, Sabir Hussain, Valeria Nicolosi, Lynette Keeney
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-982tj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Poly(sarcosine) Lipid Synthesis from CO2-based Sarcosine-N-carboxyanhydride

, Authors: Florian T. Kaps, Leon Quellmalz, Annika D.S. Richardson, Anna-Lena Ziegler, Timo Repo, Robert Luxenhofer
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-k42xn
 
Subject: Chemistry
,
Working Paper
, Title:

Defect-Driven Degradation of MXenes in Aqueous Environments and Mitigation Strategies: Insights from First-Principles

, Authors: Ana-Maria Stratulat, Valentina Nesterova, Vladislav Korostelev, Majid Beidaghi, Vadym Mochalin, Konstantin Klyukin
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-62v63
 
Subject: Chemistry
,
Working Paper
, Title:

Disease and Medication Context Shape ex vivo Metabolite Stability: A Pilot Study in Systemic Lupus Erythematosus

, Authors: Fabian Constantin Schmitt, Susanne Nguyen, Paul Christoph Claßen, Myriam Meineck, Mathias Hagen, Julia Weinmann-Menke, Thierry Schmidlin
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-lqcj5
 
Subject: Chemistry
,
Working Paper
, Title:

Monodentate Phosphine Modulation in Cyclometallated Platinum(II) Complexes for Antileishmanial, Antiviral and Antitumor Applications

, Authors: Antonio Augusto de Oliveira Neto, Gustavo Clauss, Jennyfer Castro, Marcus Sávio Araújo Garcia, Natasha M Cassani, Bruna Coelho Sandim, Ana Laura C Oliveira, Stephanie Reyes, Nádija Natalice Paixão da Silva, Filipe Vieira Rocha, Ana Carolina Gomes Jardim, Danilo Ciccone Miguel, Camilla Abbehausen
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-2n2z7
 
Subject: Chemistry
,
Working Paper
, Title:

At the “Peak” of vis-to-UV Upconversion: Clear Advantages of TIPS Substituents for a Biphenyl Annihilator

, Authors: Julian A. Moghtader, Masanori Uji, Till J. B. Zähringer, Matthias Schmitz, Luca M. Carrella, Alexander Heckel, Eva Rentschler, Nobuhiro Yanai, Christoph Kerzig
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-9prp7
 
Subject: Chemistry
,
Working Paper
, Title:

Interlayer Space Confined-S Vacancy and Single Atom within Graphene/MoS2 Bilayers: Synergistic Adsorption and Active Site Switching for Enhanced Nitrogen Fixation

, Authors: Guanping Wei, Zhizhi Jiang, Xijun Wang, Tiantian Hao, Lingli Liu, Zongchang Mao, Ling Zhu, Xin Xu, Shaobin Tang
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-mr0j9
 
Subject: Chemistry
,
Working Paper
, Title:

Combined Synthesis and Co-Amorphisation of Paracetamol with Citric Acid via Twin-Screw Extrusion (TSE)

, Authors: Aaron S. McCalmont, Stuart L. James, Deborah E. Crawford
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-lnz41
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrogen Fuel Cells in Airport Ground Support Equipment: Significant Reduction in Fuel Consumption and CO₂ Emissions

, Authors: Guilherme Ianusckiewicz Marques, Andressa da Cruz Oliveira, Wilson Roberto Tiago Rodrigues
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-zn1zw
 
Subject: Chemistry
,
Working Paper
, Title:

Lewis base/oxirane combinations as catalytic system in the glycolysis of poly(ethylene terephthalate) and the ring-opening polymerization of ε-caprolactone

, Authors: Matthias R. Steiner, Cordula M. Zeiler, Christian Slugovc
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-cw4vx
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling self-assembly and interfacial mechanics of polymer spheres and ellipsoids at fluid interfaces with surface roughness

, Authors: Md Anisur Rahman, Peter Beltramo
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-z4zb1
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Alignment, Fractures, and Alternating Leadership in the Global Media Coverage of the Ukraine War

, Authors: Wenyou Ye, Liviu Aron
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.33774/apsa-2025-n0f76
 
Subject: Chemistry
,
Review
, Title:

Roadmap for Transforming Heterogeneous Catalysis with Artificial Intelligence

, Authors: Hongliang Xin, John Kitchin, Núria López, Neil Schweitzer, Nongnuch Artrith, Fanglin Che, Lars Grabow, Kasun Gunasooriya, Heather Kulik, Teo Laino, Suljo Linic, Andrew Medford, Randall Meyer, Jiayu Peng, Cory Phillips, Jin Qian, Long Qi, Wendy Shaw, Zachary Ulissi, Siwen Wang, Xiaonan Wang
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-chn4j
 
Subject: Chemistry
,
Working Paper
, Title:

Refining Nature's Defense: Production and Evaluation of Mosquito Repellents from Ocimum tenuiflorum L. (Krishna and Rama Subtypes) and Ocimum gratissimum L. Essential Oils

, Authors: Kavindu Munugoda, Menaka Hapugoda, Upul Subasinghe, Dhanushka Hettiarachchi
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-5l0v3
 
Subject: Chemistry
,
Working Paper
, Title:

Dichotomous Exciton Conversion at a DPP2Py2T-PCBM interface: Insights from embedded GW-Bethe-Salpeter Equation calculations

, Authors: Vivek Sundaram, Björn Baumeier
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-q0zcn
 
Subject: Chemistry
,
Working Paper
, Title:

The formal logic of interaction

, Authors: Jia Qiu
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-1052t
 
Subject: Chemistry
,
Working Paper
, Title:

autoXAS: Automated Analysis of X-ray Absorption Spectroscopy Data

, Authors: Ulrik Friis-Jensen, Kirsten Marie Ørnsbjerg Jensen, Rebecca Pittkowski
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.26434/chemrxiv-2025-8pjq3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Narratives of Distortion: U.S. Institutional Media and the Polarization of Gaza War Coverage

, Authors: Wenyou Ye, Gea Ujčić
Version undefined posted 12 September 2025
Posted
Sep 12, 2025
10.33774/apsa-2025-jbsvt
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Searching for Change: Economic Instability and the Rise of Milei in Argentina

, Authors: Ines Levin, Sebastian Rivera
Version undefined posted 13 September 2025
Posted
Sep 13, 2025
10.33774/apsa-2025-v7bs3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Patriotism or Pressure? Public Opinion and China’s Ontological Security in South China Sea Dispute

, Authors: Zheng Zhou
Version undefined posted 13 September 2025
Posted
Sep 13, 2025
10.33774/apsa-2025-lsp33
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Dissonance or Dialogue? Divergent Korean Public and State Views on Japan Ties

, Authors: Zheng Zhou
Version undefined posted 13 September 2025
Posted
Sep 13, 2025
10.33774/apsa-2025-bdxcv
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging R for Advanced Interpretation of LDI-TOF Mass Spectra: A Computational Approach

, Authors: Lubomír Prokeš, Lukáš Pečinka
Version undefined posted 13 September 2025
Posted
Sep 13, 2025
10.26434/chemrxiv-2025-55555
 
Subject: Chemistry
,
Working Paper
, Title:

Streamlining feature elaboration and statistics analysis in metabolomics: the GetFeatistics R-package

, Authors: Gianfranco Frigerio
Version undefined posted 13 September 2025
Posted
Sep 13, 2025
10.26434/chemrxiv-2025-fvdsq
 
Subject: Chemistry
,
Working Paper
, Title:

Six-Array Transepithelial Electrical Resistance Device

, Authors: Jacob Bachelder, Kristy Ainslie
Version undefined posted 13 September 2025
Posted
Sep 13, 2025
10.26434/chemrxiv-2025-jtvlk
 
Subject: Chemistry
,
Working Paper
, Title:

Bifunctional [Fe6Co7] Cyanide Bridged Assemblies: Electron Transfer Coupled Spin Transition and Liquid Crystal property

, Authors: Jyoti Yadav, Ranjan Kharel, Ritobrata De, Santanu Kumar Pal, Bhart Kumar, Pradip Kumar Mondal, Sanjit Konar
Version undefined posted 13 September 2025
Posted
Sep 13, 2025
10.26434/chemrxiv-2025-5qdpp
 
Subject: Chemistry
,
Working Paper
, Title:

Nucleic Acid FRET Sensing of Hydrogen Peroxide in Live Cells Using a Boronic Acid Nucleobase Surrogate

, Authors: Keenan Regan, Elizabeth St. John, Samantha Payne, Terence Van Raay, Richard Manderville
Version undefined posted 13 September 2025
Posted
Sep 13, 2025
10.26434/chemrxiv-2025-22qwj
 
Subject: Geography
,
Working Paper
, Title:

CORE-D: county resolution energy demand projections for multi-scale modelling and multi-level governance dialogues in Kenya.

, Authors: Neve Fields, Michelle Akute, Leonhard Hofbauer, Martin Mutembei, Anne Nganga, Mark Howells, Ed Brown
Version undefined posted 14 September 2025
Posted
Sep 14, 2025
10.33774/coe-2025-955g9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction

, Authors: David E. Graff, Nathan K. Morgan, Jackson W. Burns, Anna C. Doner, Brian Li, Shih-Cheng Li, Joel Manu, Angiras Menon, Hao-Wei Pang, Haoyang Wu, Akshat Shirish Zalte, Jonathan W. Zheng, Connor W. Coley, William H. Green, Kevin P. Greenman
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-4p1nr
 
Subject: Chemistry
,
Working Paper
, Title:

Tunable Aromaticity and Biradical Character in Tetrathiafulvalene and Tetraselenafulvalene Derivatives

, Authors: Daniel Gibney, Jan-Niklas Boyn
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-7m6jt
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Sampling of Protein Trajectories with Conditional Diffusion Models

, Authors: Chuanye Xiong, Zerui Ma, Eleanor Smith, Palanisamy Kandhan, Peng Tao
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-xq07m
 
Subject: Chemistry
,
Working Paper
, Title:

Fluidic Actuation in a 2D Metal–Organic Framework

, Authors: Eunji Jin, Joohan Nam, Jin Chul Kim, Hyunjoo Kang, Jeong Hyeon Lee, Jin Kyun Kim, Chae Un Kim, Sang Kyu Kwak, Wonyoung Choe
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-4dtb2
 
Subject: Chemistry
,
Working Paper
, Title:

Modeling Optimal Pathways to a Triple Win in Air Quality, Climate, and Equity

, Authors: Libby Koolik, Chirag Manchanda, Alper Ünal, Inez Fung, Julian Marshall, Rachel Morello-Frosch, Alexander Turner, Robert Harley, Joshua Apte
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-c6sn4
 
Subject: Chemistry
,
Working Paper
, Title:

Monomer Isolation from Oligomeric Proteins within Coordination Cages to Study Interface Ligand Binding

, Authors: Risa Ebihara, Takahiro Nakama, Ken Morishima, Maho Yagi-Utsumi, Masaaki Sugiyama, Makoto Fujita
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-8wpvx
 
Subject: Chemistry
,
Working Paper
, Title:

HyperGraph- and SuperHyperGraph-Based Molecular Models: Weighted, Rough, Neural, and Multipolar Frameworks

, Authors: Takaaki Fujita
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-gb6gq
 
Subject: Chemistry
,
Working Paper
, Title:

Modular Synthesis of Polycyclic Aromatic Hydrocarbons Enabled by Electrophotocatalysis

, Authors: Davide Zanetti, Sayan Sarkar, El Czar Galleposo, Laurens van Dam, Leticia González, Davide Bonifazi
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-cflq2
 
Subject: Chemistry
,
Working Paper
, Title:

Polymer-Assisted Deep Supercooling of Lithium Salts Enables Solvent-Free Liquid Electrolytes with Near Single-Ion Conduction

, Authors: Taku Sudoh, Keisuke Shigenobu, Frederik Philippi, Choji Niwamura, Yosuke Ugata, Yuna Matsuyama, Shinji Kondou, Seiji Tsuzuki, Saki Sawayama, Kenta Fujii, Wataru Shinoda, Kazuhide Ueno
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-47qtw
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing Bioassay Annotations in ChEMBL with Artificial Intelligence

, Authors: Ines Smit, Melissa F. Adasme, Emma Manners, Sybilla Corbett, Nicolas Bosc, Hoang-My-Anh Do, Andrew R. Leach, Noel M. O'Boyle, Barbara Zdrazil
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-h4hrr
 
Subject: Chemistry
,
Working Paper
, Title:

Probing photochemically-induced dynamic transitions by magic-angle-spinning NMR combined with in-situ irradiation.

, Authors: Alessia Lasorsa, Pieter van der Meulen, Ernst Naumann, Michael Lerch, Maria Marquez Garcia, Xiaohong Lan, Katja Loos, Ben Feringa, Wiktor Szymanski, Patrick van der Wel
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-85n2j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

DoE-It-Yourself (DoEIY): An Open-Access Web Platform for Democratizing Experimental Design in Chemical and Materials Research

, Authors: Niamh Mac Fhionnlaoich, Ye Yang, Runzhang Qi, Federico Galvanin, Stefan Guldin
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2022-j7gb1-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Generating Multimillion Chemical Space Based on the Ugi Four-Сenter Three-Component Reaction with Oxocarboxylic Acids

, Authors: Evgen V. Govor, Sofia Dymura, Oleksandr Viniichuk, Vasyl Naumchyk, Anton Zhemera, Dmytro S. Radchenko, Oleksandr O. Grygorenko
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-l2swl
 
Subject: Chemistry
,
Working Paper
, Title:

Proton Conductivity and Magnetization Photoswitching in CN-Bridged Cu(II)3M(IV)2 Molecules (M = Mo, W) Based on Carboxy-Functionalized Macrocyclic Ligand

, Authors: Mateusz Reczyński, Michał Magott, Maciej Pazera
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-9r77s
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanism-Oriented Reaction Descriptors for Dispersity Prediction in Nitroxide-Mediated Radical Polymerization Considering Mediator Stability

, Authors: Tatsuya Mori, Shunsuke Mieda, Koharu Kodama, Tomoyuki Miyao
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-zbsh9
 
Subject: Chemistry
,
Working Paper
, Title:

Consequences of Overtones in Raman Spectra for Structural Assignment Elucidated for NiOOH during Alkaline Oxygen Evolution

, Authors: Justus Leist, Annika Neufischer, Timo Jacob, Albert Kilian Engstfeld
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-jb73p
 
Subject: Chemistry
,
Working Paper
, Title:

Supramolecular Polymer with Multi-Responsive Luminescence Formed by the First Tetracoordinated Au(I) Carbene Complex

, Authors: Arruri Sathyanaryana, Kumar Siddhant, Gopendra Muduli, Ganesan Prabusankar, Osamu Tsutsumi
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-jplk2
 
Subject: Chemistry
,
Working Paper
, Title:

Unravelling the Polymorph Dependant Electrochemical Behaviour of VO2 for Advanced Supercapacitor Applications.

, Authors: Gurunatha Kargal laxminarayana, Chandra Sekhar Rout, Savitridevi Nadavurmath, Sundararajan Ashok Kumar
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-bbd03
 
Subject: Chemistry
,
Working Paper
, Title:

SQUIRREL: An Open-Source Software Suite for Quantum Dynamics Calculations on Complex Geometries with Time-dependent Electric/Magnetic Fields

, Authors: Simon Sandhofer, Mahmut Okyay, Bryan Wong
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-kxmzm
 
Subject: Chemistry
,
Working Paper
, Title:

Combined Effect of Size and Charge on the Interaction of Na-noparticles with Mucus-Mimicking Mucin Hydrogels

, Authors: Natalia N Porfiryeva, Ivan Zlotver, Alejandro Sosnik
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-p3hqt
 
Subject: Chemistry
,
Working Paper
, Title:

Scalable Mechanochemical Synthesis of Amides Using Bead Milling Technology

, Authors: Pietro Caboni, Andrea Porcheddu, Sandor B. Ötvös, C. Oliver Kappe
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-40n7x
 
Subject: Chemistry
,
Review
, Title:

Cobalt-Catalyzed Alkene Hydrohalogenation via Hydrogen Atom Transfer

, Authors: Arman Khosravi, Ming-Yu Ngai
Version undefined posted 15 September 2025
Posted
Sep 15, 2025
10.26434/chemrxiv-2025-f201r
 
Subject: Chemistry
,
Working Paper
, Title:

Design, synthesis and biological evaluation of novel [5,5]-fused thiazolidine/oxazolidine inhibitors for targeting prolyl oligopeptidase

, Authors: Thershan Satkunarajah, Stéphane De Cesco, Ho Ying Huang, Emmanuelle Nguyen-Renou, Anne Labarre, Anthony Mittermaier, Thomas Durcan, Nicolas Moitessier
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-vs37x
 
Subject: Chemistry
,
Working Paper
, Title:

Bioisosteric Replacement of Amides with 1,2,3-Triazoles Improves Dopamine D4 Receptor Ligand Pharmacokinetics

, Authors: Mohammad Alkhatib, Franziska M. Jacobs, John N. Hanson, Ashley N. Nilson, Amy E. Moritz, Tian Li, Afua B. Faibille, Lindsay A. Bourn, Peter A. Ramdhan, Joseph Ricchezza IV, Shannon Jordan, Diandra E. Panasis, Norman Nguyen, Nitish Kasarla, Bryant Wang, Sergio Sola Garcia, Julianna Saez, James Paule, Chae Bin Lee, Rana Rais, Barbara S. Slusher, David R. Sibley, Chenglong Li, Thomas M. Keck, Comfort A. Boateng
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2024-0z6jk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Distinct Intercalation Mechanisms Across the MoS2, MoSe2 and MoTe2: From Weak Physisorption to Defect-Driven Chemistry

, Authors: Dominik Florjan, Piotr Radomski, Maciej Szary
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-gll0m
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Synthetic Routes to 6-Functionalized 4-Azaspiro[2.3]hexanes

, Authors: Wei Huang, Kangqiao Wen, Scott Laughlin
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-c62fr
 
Subject: Chemistry
,
Working Paper
, Title:

Refining chemicals from kraft mill waste for use in the food and pharmaceutical industries and in medical research

, Authors: Torsten Meyer
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-nz4v9
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding DFT uncertainties for more reliable reactivity predictions by advancing the analysis of error sources

, Authors: Gergely Laczkó, Imre Pápai, Peter Nagy
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-jdfq2-v2
 
Subject: Anthropology
,
Working Paper
, Title:

The Authority and Symbolism of the Turban in Yemeni Society: Signifier and Signified

, Authors: Ahmed ALMaljamie
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-c7qqm
 
Subject: Chemistry
,
Review
, Title:

Strategies and Technologies for Sodium Reduction in Processed Foods

, Authors: Kyan Mui
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-tb82f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating Practical Detection Limits for Aerial Methane Technologies Using Large Scale Field Measurements

, Authors: Saahil Gupta, Erin Tullos, David Lyon, Haoming Ma, Arvind Ravikumar
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-816nt
 
Subject: Chemistry
,
Review
, Title:

Surface Hopping with Fully Correlated Methods

, Authors: Ely G. F. de Miranda, Rafael S. Mattos, Saikat Mukherjee, Josene M. Toldo, Cheol Ho Choi, Márcio T. do N. Varella, Mario Barbatti
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-jc6dp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Yb2-Tb Upconversion in a Hetero-Trimetallic Molecular Lanthanide Complex

, Authors: Nicolaj Kofod, Matthew Thornton, Abigail Richardson, Charles Smith, Patrick Parkinson, Stephen Faulkner, Sam Hay, Louise Natrajan
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-n6zk4
 
Subject: Chemistry
,
Working Paper
, Title:

Photoinduced Reduction and Deuteration of Aryl Halides with NHC-Boranes

, Authors: Gabin Lalande, Sandra Pinet, Frédéric Robert, Laurent Chabaud, Mathieu Pucheault
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-7zt12-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Comparative reactor, process, techno-economic, and life cycle emissions assessment of ethylene production via electrified and thermal steam cracking

, Authors: Alexandre Cattry, Chaitanya Vuppanapalli, Dharik S. Mallapragada
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-0nbs9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Probing the Structure of Proline-Containing Lipopeptides Aggregates: A Simulation-Driven Approach to SAXS Interpretation

, Authors: Pedro Tendrih Sodré, Henrique Musseli Cezar, Manuel Carrer, Wendel Andrade Alves, Barbara Gerbelli, Michele Cascella, Mauricio Domingues Coutinho-Neto
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-mg10h
 
Subject: Chemistry
,
Working Paper
, Title:

On the Molecular Mechanism of Beta-Amyloid Aggregation Inhibition by KLVFF

, Authors: Kevin Cobos-Montes, Sebastián E. Fuentes, Francisca Estuardo, Constanza Cárdenas, Fanny Guzmán, Javiera Gavilan, Paula Santana, Maximiliano Figueroa, Jorge Fuentealba, Verónica A. Jiménez, David Ramírez
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-lshn6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Heating of CeO₂ surfaces under microwave irradiation using non-equilibrium molecular dynamics

, Authors: Sahar Koritisani, Kazem Zhour, Gunjana Yadav, Abhishek Khetan
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-g848d-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Glucose/Glucuronate Copolymers Stripped from Oxidized Cell Wall Cellulose by Mechanical Shearing

, Authors: Takumi Haruno, Yoshinori Doi, Tomoki Ito, Kazuho Daicho, Ryosuke Kusumi, Hiroyuki Watanabe, Shuji Fujisawa, Tsuguyuki Saito
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-002vw-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative exposomics targeting over 200 toxicants and key biomarkers at picomolar concentrations

, Authors: Yunyun Gu, Max Lennart Feuerstein, Dillon T Lloyd, Chirag J Patel, Caroline Helen Johnson, Benedikt Warth
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-sb0nl-v4
 
Subject: Chemistry
,
Working Paper
, Title:

On the role of electronic correlation and state-specific environment polarization in Singlet–Triplet gap inversion

, Authors: Ester Salvi, Giacomo Agostini, Simone Veglianti, Gustavo Juliani Costa, Luca De Vico, Daniele Padula, Ciro Achille Guido
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-cgx8x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Membrane-separated electrodes enable high-rate low energy electrochemical carbon capture

, Authors: Kaige Sun, Mike Tebyetekerwa, Hongxia Zhang, Rizal Evans, Lei Ge, Yi Sun, Yuhui Ge, Zhuyuan Wang, Chao Xing, Jindi Yang, Xiangkang Zeng, Darren Martin, Xiwang Zhang
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-9pmwf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Extended Stability Window in Water-in-Salt Electrolytes: Understanding the Origins

, Authors: Dario Gomez Vazquez, Johannes Ingenmey, Katharina A. Trapp, Dennis Ciliak, Mathieu Salanne, Maria R. Lukatskaya
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-73brf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reproducibility in Electrocatalysis

, Authors: Jan Niklas Hausmann, Charles W. P. Pare, Debabrata Bagchi, Ren He, Sukhjot Kaur, Deepak Kumar, Jiseok Kwon, Zhendian Li, Michael Walsh, Xunlu Wang, Ruotao Yang, Yonggui Zhao, Andreu Cabot, Ziliang Chen, Yuan Ha, Arindam Indra, Zhenhui Kang, Tharamani C. Nagaiah, Greta R. Patzke, Sudhagar Pitchaimuthu, Karsten Reuter, Christoph Scheurer, Rutger Schlatmann, Taesup Song, Tobias Sontheimer, Jiacheng Wang, Matthias Driess, Prashanth W. Menezes
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-p0923
 
Subject: Chemistry
,
Working Paper
, Title:

Compression Rate Dependence and Hierarchical Mechanism in the Pressure-Induced Polymerization of Acrylamide: Insights from ab initio Molecular Dynamics

, Authors: Rashid Rafeek V. Valappil, Sayan Maity, Ashwini Anshu, Lavanya M. Ramaniah, Varadharajan Srinivasan
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2022-kckfp-v5
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering cyanobacterial carbonic anhydrase surface mutations for fast CO2 hydration and capture

, Authors: Peter Agbo
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-0rnx8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning for Anticancer Activity Prediction of Transition Metal Complexes

, Authors: Lev Krasnov, Dmitry Malikov, Marina Kiseleva, Ekaterina Nykhrikova, Sergei Tatarin, Stanislav Bezzubov
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-1nqvm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of chirality on nanotube fracture strain: comprehensive machine learning potential calculations

, Authors: Sherif Abdulkader Tawfik, Tri Nguyen, Truyen Tran, Sunil Gupta, Svetha Venkatesh
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-rzmm5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Bridging Scales in Drug Binding Kinetics: Residence Time Estimation via All-Atom and Coarse-Grained Simulations

, Authors: Souvik Sinha, Chandrakant Bagul, Mayank Kohli, Sooriya Kumar Jegatheesan
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-9zzlc-v2
 
Subject: Mathematics
,
Working Paper
, Title:

The Interplay of Mass and Energy: A Modern Relativistic Perspective

, Authors: Chinnaraji Annamalai
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-hkn52
 
Subject: Engineering
,
Working Paper
, Title:

Evaluation of natural frequencies with two-node finite element in Timoshenko beam theory using quintic transverse displacement interpolation

, Authors: ASHRAFUL ISLAM
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-xxd9h-v2
 
Subject: Mathematics
,
Working Paper
, Title:

The Interplay of Mass and Energy: A Modern Relativistic Perspective

, Authors: Chinnaraji Annamalai
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-mp4x1
 
Subject: Mathematics
,
Working Paper
, Title:

The Conservation of Mass-Energy in the Expanding Cosmos

, Authors: Chinnaraji Annamalai
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-9c2ql
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Negotiated Consensus: A more representative way to vote.

, Authors: Greg Blonder
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/apsa-2025-6sctt-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Choosing Who to Foot the Bill: Distributional Politics of Green Energy Transition in Germany and the UK

, Authors: Mehmet Hecan
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/apsa-2025-0xv9b-v2
 
Subject: Mathematics
,
Working Paper
, Title:

The Absence of Straight Lines: A Comparative Analysis of Gravity from Newtonian Physics to Einstein's Spacetime Curvature

, Authors: Chinnaraji Annamalai
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-p3mxz
 
Subject: Politics and International Relations
,
Presentation
, Title:

Reimagining Information Literacy Skills in the Age of AI

, Authors: Kimberly MacVaugh
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/apsa-2025-q0dn8
 
Subject: Mathematics
,
Working Paper
, Title:

The Conservation of Mass-Energy in the Expanding Cosmos

, Authors: Chinnaraji Annamalai
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-ls3r7
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Rage Against the Machine?: Assessing Election Administrators’ Perceptions of Electronic Voting Systems

, Authors: Craig Albert, Gregg Murray, Alex Schwarzmann, William Hatcher
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/apsa-2025-xc6kf
 
Subject: Mathematics
,
Working Paper
, Title:

The Interplay of Mass and Energy: A Modern Relativistic Perspective

, Authors: Chinnaraji Annamalai
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-24thc
 
Subject: Mathematics
,
Working Paper
, Title:

The Role of Gravity in Cosmic Stability

, Authors: Chinnaraji Annamalai
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-3mpb9-v3
 
Subject: Engineering
,
Working Paper
, Title:

ADS Safety Validation Based on Human Accidents and Conflicts

, Authors: Arif Hossain
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-0gk1b
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Insights into Metal-Hydride Reactivity in Engineered Metalloenzymes

, Authors: Ritwika Chatterjee, Garima Jindal
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-8lfbd
 
Subject: Engineering
,
Working Paper
, Title:

Insights from Traffic Accidents for Autonomous Driving

, Authors: Kofi Adebayo
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-zlcq2
 
Subject: Computer Science
,
Working Paper
, Title:

The Generative Validation Paradigm: A Closed-Loop Framework for Certifiable Autonomous Vehicle Safety

, Authors: Kofi Adebayo
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-523lf
 
Subject: Mathematics
,
Poster
, Title:

On the Hughes--Keating--O’Connell Conjecture: \\ Quantified Negative Moment Bounds for $\zeta'(\rho)$ via Entropy--Sieve Methods Revisited

, Authors: Rafik Zeraoulia
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-14qvn
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Energy Modelling Research Landscape in Kenya: A Systematic Review.

, Authors: Neve Fields, Boniface Kinyanjui, Ed Brown, Mark Howells
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-7lmg3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Prompting and Assessing Critical Thinking in Undergraduate Physical Chemistry Labs: Effects of Instructional Design and Performance In-Situ Assessment

, Authors: Lilian Danial, Jenna Koenen, Rüdiger Tiemann
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-ms8cp
 
Subject: Computer Science
,
Working Paper
, Title:

Frontier AI Safety Confidence Evaluate

, Authors: Steven Bart, Zepeng Wu, YE Rachmad, Yuze Hao, Lan Duo, X. Zhang
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-rhlbg
 
Subject: Mathematics
,
Working Paper
, Title:

Spectral Breakdown Theory and the Rienman Conjecture: Spectral Rienman Conjecture.

, Authors: Ndoubahidi Ebenezer Mbaïassem
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-0hd3h
 
Subject: Chemistry
,
Working Paper
, Title:

QuickDraw: A Rapid, Point of Care Blood Based HIV Diagnostic Assay with Plasma Separation, Viral Lysis, RNA Capture, and RNA Amplification on Paper

, Authors: Alexander Evans, Alexandra Sogn, Andrea Mora, Moses Arthur, Justin Leach, Sebastian Bosch, Shruthika Araselvan, Jeffrey Beard, Stephen Dewhurst, Charles Mace, Benjamin Miller
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-px4n8
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

From Special Potential Relativity to General Potential Relativity: A Relativistic Quantum Formalism with Energy-Dependent Mass Renormalization

, Authors: dongqi liu, shifa liu
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.33774/coe-2025-s9ccs
 
Subject: Chemistry
,
Working Paper
, Title:

Cyclopropyl-rich Amines as High Energy Density Fuels for Advanced Propulsion

, Authors: Deepan Chowdhury, Bhaskara Rao Latchipatula, Eli Flaxer, Alex Yakovchuk, Jagadish Das, John F. Zevenbergen, Michael Gozin
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-mr52d
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of the Methylene Blue Radical

, Authors: Guenter Jeromin
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-rwh8c
 
Subject: Chemistry
,
Working Paper
, Title:

PREPRINT "Comparability of Liquid Chromatography Tandem Mass Spectrometry Analysis of Dissolved Organic Matter Across Laboratories"

, Authors: Jarmo-Charles Kalinski, Bruno Ruiz Brandão da Costa, Tilman Schramm, Lance R. Buckett, Laura T. Carlson, Nicole R. Coffey, Tito Damiani, Elias Dechent, Yasin El Abiead, Steffen Heuckeroth, Elaine K. Jennings, Jan Kaesler, Naomi L. Stock, Alice M. Orme, Ralph R. Torres, Sara Trojahn, Helen Whelton, Yingfei Yan, Allegra T. Aron, Rene M. Boiteau, Pieter C. Dorrestein, Dang Duc Huy, Richard Evershed, Marta Gledhil, Gerd Gleixner, Andreas F. Haas, Martin Hansen, Tilmann Harder, Ellen C. Hopmans, Anitra E. Ingalls, Uwe Karst, William Kew, Melissa Kido Soule, Boris P. Koch, Elizabeth Kujawinski, Oliver J. Lechtenfeld, Krista Longnecker, Tomáš Pluskal, Georg Pohnert, Zachary C. Redman, Albert Rivas-Ubach, Phillipe Schmitt-Kopplin, Gabriel Singer, Jan Tebben, Patrick L. Tomco, Nicholas D. Ward, Lihini I. Aluwihare, Carsten Simon, Jeffrey Hawkes, Daniel Petras
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-f9tlp
 
Subject: Chemistry
,
Working Paper
, Title:

Meeko: molecule parameterization and software interoperability for docking and beyond

, Authors: Diogo Santos Martins, Yiran He, Jerome Eberhardt, Parnika Sharma, Niccolò Bruciaferri, Matthew Holcomb, Manuel A Llanos, Althea Hansel-Harris, Allison Pearl Barkdull, Andreas Frank Tillack, Giulia Bianco, May-Linn Paulsen, Joani Mato, Ishan Taneja, Stefano Forli
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-6b37n
 
Subject: Chemistry
,
Working Paper
, Title:

Structure Characterization with NMR Molecular Networking

, Authors: Cailum M. K. Stienstra, Jaegun Song, David Healey, Gennady Voronov, Abhishek Patel, Venkat Macherla, Christoph A. Krettler, Pieter C. Dorrestein, Daniel Domingo-Fernández
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-0nqfk
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insights into Electrochemical Dinitrogen Reduction from Studies of Molybdenum PSP Pincer Complexes

, Authors: Quinton Bruch, Santanu Malakar, Souvik Mandal, Carrie Donley, Alan Goldman, Alexander Miller
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-xrrm6
 
Subject: Chemistry
,
Working Paper
, Title:

Optimized Lennard-Jones Parameters Improve Martini3 Force Fields for Small Organic Molecules

, Authors: Renjie Zhu, Tong Zhu, Ruibo Wu, Fei Xia
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-cb49x
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Backbone Chemistries in Morpholino Gapmers of Oblimersen: It’s Effect on Biophysical Parameters and RNaseH Activity

, Authors: SURAJIT SINHA, Atanu Ghosh, Swrajit Nath Sharma, Arnab Das
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-39zft
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Bilayer MoS2 with Moiré–Dopant Synergy for Advanced Supercapacitor Electrodes

, Authors: Sruthi T, Shivani V, Sriram S, Vincent Mathew
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-6x0rh
 
Subject: Chemistry
,
Working Paper
, Title:

Structural annotation of acylcarnitine's detected in NIST 1950 using Collision Induced Dissociation and Electron Induced Dissociation

, Authors: Valentina Ramundi, Michael Witting
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-j174h
 
Subject: Chemistry
,
Working Paper
, Title:

Untangling cation and anion contributions to refractive index changes in electrical double-layer capacitors

, Authors: Karen Regules-Medel, Finlay Nelson, William Hardiman, Rafael Fuentes Dominguez, Michael Somekh, Sidahmed Abayzeed
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-w9345
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Origin of Piezoelectricity and Flexoelectricity in Flexible Crystals

, Authors: Atiqur Rahman, Arti Vishwakarma, Navdeep S. Thayat, Ravi Teja Malisetty, Shalini Singh, Srijan Mondal, Ankur Goswami, Jack K. Clegg, V. Haridas, Sajesh P. Thomas
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-v1sp4
 
Subject: Chemistry
,
Review
, Title:

Using charged viruses as charge carriers: An eco-friendly solution towards greener future?

, Authors: Guo-Ming Weng
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-nb9sh
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond conventional sequence-based encoding: a generalized Machine Learning pipeline for oligonucleotide property prediction

, Authors: Margherita Lapillo, Maicol Bissaro, Iuni M. L. Trist, Enrico Gandini, Federico Sorana, Alfonso Pozzan
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-nfs45
 
Subject: Chemistry
,
Working Paper
, Title:

Characterizing the potential for sustainable azelaic acid production from high-oleic vegetable oil using the two-step oxidative cleavage method

, Authors: Lavanya Prashantkumar Kudli, Yoel Rene Cortés-Peña, Sarang Sunil Bhagwat, Jeremy Guest
Version undefined posted 16 September 2025
Posted
Sep 16, 2025
10.26434/chemrxiv-2025-p0dtt
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid prediction of adsorbate probability distributions in metal-organic frameworks using graph neural networks

, Authors: Jake Burner, Olivier Marchand, Rosa Cicciarella, Marco Gibaldi, Tom K. Woo
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-tn0rh
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Traditional SPAAC: Achieving Orthogonality and Rapid Kinetics with Fluoroalkyl Azides

, Authors: Matúš Tomčo, Veronika Šlachtová, Milan Vrábel, Jialu Li, Josef Filgas, Petr Slavíček, Lucie Bednárová, František Filandr, Petr Beier
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-z6zm0
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical Thiocarbonyl Difluoride Generation Enables Azetidine Synthesis

, Authors: Ricardo Rodriguez, Julien Paut, Giona Armellin, Stefano Visentini, Gabriel Cormier, Marco Bortolus, Giorgio Pelosi, Federico Droghetti, Mirco Natali, Luca Dell'Amico
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-6dfrf
 
Subject: Chemistry
,
Review
, Title:

Shaking Up Photochemistry: The Future Frontiers of Mechanophotocatalysis

, Authors: Francis Millward, Eli Zysman-Colman
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-q2f0f
 
Subject: Chemistry
,
Working Paper
, Title:

Intrinsically Photopatternable Thermochromism of an Anthracene Heterodimer Framework

, Authors: Eric Schreiber, Madison E. Logelin, Chaoqun Zhang, Du Chen, Emily S. Lam, Madeleine Y. Popofsky, Peijun Guo, Tianyu Zhu, Amymarie K. Bartholomew
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-bpkp5
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of multi-target directed ligands for Alzheimer’s disease by coupling virtual screening and experimental validation

, Authors: Paulina Valenzuela-Hormazábal, Jessica Valero-Rojas, Loreto Martínez González, Victoria Oviedo-Pino, Cristian González-Ortega, Guillermina Hernando, Jhon Lopez, Cecilia Scorza, Carolina Echeverry, Miguel Reyes-Parada, Margarita Gutierrez, Ana Martínez, David Ramírez
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-gq4w5
 
Subject: Chemistry
,
Working Paper
, Title:

Bromazolam tablet quantification and analysis of post-mortem cases from the National Programme on Substance Use Mortality (NPSUM)

, Authors: Matthew Gardner, Molly Millea, Sam Craft, Rachael Andrews, Jennifer Scott, Stephen Husbands, Christopher Pudney, Oliver Sutcliffe, Caroline Copeland, Peter Sunderland
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-26w75
 
Subject: Chemistry
,
Working Paper
, Title:

A semi-focused multi-state variant of the mapping approach to surface hopping

, Authors: Samuele Botticelli, Davide Accomasso, Giovanni Granucci
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-9tg9g
 
Subject: Chemistry
,
Working Paper
, Title:

Connecting the concepts of quantum state tomography and molecular representations for machine learning

, Authors: Raul Ortega-Ochoa, Luis Mantilla Calderón, Juan Bernardo Perez Sanchez, Mohsen Bagherimehrab, Abdulrahman Aldossary, Tejs Vegge, Tonio Buonassisi, Alán Aspuru-Guzik
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-653md
 
Subject: Chemistry
,
Working Paper
, Title:

A Machine-Learning Pipeline for Predicting Methanol Yield in a Double-Pass Plug-Flow Reactor Using a Synthetic Langmuir–Hinshelwood Dataset

, Authors: Anthony Asuquo
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-j2l4q
 
Subject: Chemistry
,
Working Paper
, Title:

Hard–Soft Acid–Base Interactions Control Ionic Conductivity in Molecular-Crystal-Based Electrolytes

, Authors: Shujit Chandra Paul, Stephanie Wunder, Michael Zdilla
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-94tlb
 
Subject: Chemistry
,
Working Paper
, Title:

Chain-Head Engineering Dictates Structural Dimensionality and Bright Emission in Long-Chain A2MnCl4

, Authors: Dhritiman Banerjee, Emily Jean Brand, Kyle M. McCall
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-9sj44
 
Subject: Chemistry
,
Working Paper
, Title:

A Formal Definition for the Number of Excited Electrons

, Authors: Cristian J. Guerra
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-13c97
 
Subject: Chemistry
,
Working Paper
, Title:

Structural and Kinetic Analysis of Carboxyl-Metabolizing Enzymes Understanding Active Site Architecture and Environmental Adaptation in Marine Carbon Cycling

, Authors: Supaporn Klabklaydee, Nopphakorn Subsa-ard, Manabu Fujii
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-r8h7p
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of 2-C-cyclopropyl-D-erythritol-2,4-cyclopyrophosphate, a radical clock to study the enzymatic mechanism of IspG

, Authors: Vivien HERRSCHER, Fabien MASSICOT, Jean-Luc VASSE, Myriam SEEMANN, Jean-Bernard Behr
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-bmflh
 
Subject: Chemistry
,
Working Paper
, Title:

Concentration Polarization Compromises Oxidation Tolerance in Polymer Electrolytes

, Authors: Guanghan Zhu, Lun Zhang, Xin Deng, Zhi Cheng, Adam Lovett, Jialin Gu, Daniel Wan, Yezi Lu, Xiangchao Meng, Yifei Ren, Chunguang Kuai, Li Li, Thomas Miller, Junrun Feng, Feng Ryan Wang
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-vmlk9
 
Subject: Chemistry
,
Working Paper
, Title:

Supramolecular dye polymers for aggregation-induced photocatalysis

, Authors: Marianna Barbieri, David Cappelletti, Luca Vaccarin, Elisa Pelorosso, Luca Catalano, Khai-Nghi Truong, Fabrizio Nestola, Andrea Sartorel, Alessandro Aliprandi, Francesca Arcudi, Luka Đorđević
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-g5rql
 
Subject: Chemistry
,
Working Paper
, Title:

Methyl Radical Addition Reaction to Substituted C=C Double Bonds

, Authors: Yuman Hordijk, Tula Kaptein, Eva Blokker, Christopher Kelly, Trevor Hamlin
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-88pbk
 
Subject: Chemistry
,
Working Paper
, Title:

Isoreticular Expansion in Porous Al(III) and Ga(III) Phosphonates: Synthesis, Structure, and Properties

, Authors: Jennifer Theissen, Marvin Radke, Sebastian Mangelsen, Elien Derveaux, Roberth Mateo Narváez Adams, Jasper Lopau, Christian Näther, Christian Nelle, Jörn Struve, Felix Steinke, Nick Gys, Frederik Tielens, Peter Adriaensens, Sebastian Henke, Wouter Marchal, Rob Ameloot, Norbert Stock
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-jd1sk
 
Subject: Chemistry
,
Working Paper
, Title:

Economic consequences of undefined durability in water electrolysis: on extending use beyond the performance drop threshold

, Authors: Rafael d’Amore-Domenech, Paolo Marocco, Vladimir L. Meca, Marta Gandiglio
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-nnfn9
 
Subject: Chemistry
,
Working Paper
, Title:

C-F Bond Activation and C-H Bond Zincation of Fluoroarenes with Molecular Zinc Hydrides: Catalyst-Free and Palladium-Catalyzed Pathways

, Authors: Sagrika Rajput, Sharanappa Nembenna
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-dmhnr
 
Subject: Chemistry
,
Working Paper
, Title:

Evolution of the Electrochemically Active Interface Between a Li-Metal Anode and a Single-Crystal LLZO under Mechanical Loads

, Authors: Diana Avadanii, Steffen Ganschow, Stefan Muck, Markus Stypa, Dominik Kramer, Christoph Kirchlechner, Reiner Monig
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-lrw48
 
Subject: Chemistry
,
Working Paper
, Title:

Data-Driven SDA Design and High-Throughput Experimentation for the Synthesis of High-Silica Small-Pore Zeolites Containing lta-cavities

, Authors: Hwajun Lee, Soonhyoung Kwon, Alexander Hoffman, Jie Zhu, Mingrou Xie, Elton Pan, Vivek Vattipalli, Ahmad Moini, Anthony Debellis, Elsa Olivetti, Rafael Gómez-Bombarelli, Yuriy Román-Leshkov
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-d7qzq
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Reactivity and Selectivity in Organocatalysis via In-Situ Proline-Boronic Acid Complex Modification

, Authors: ido domb, Nadia Levin, Anas Abo Raed, Hadas Shalit, Danilo M. Lustosa, Yury Torubaev, Anat Milo
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-3xsmf
 
Subject: Chemistry
,
Working Paper
, Title:

Decoding the Nested, Multi-Cycle Mechanism of Ni-Catalyzed Redox Neutral Cross-Coupling Through Temperature Scanning Reaction Calorimetry

, Authors: David Cagan, Aron Peter, Benjamin Vokits, Michael Chan, Phil Baran, Donna Blackmond
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-8hghl
 
Subject: Chemistry
,
Working Paper
, Title:

Click or Acyl transfer? Pathway Selection Driven by Acyl Phosphates and Amino Acid Side Chains

, Authors: Debjyoti Bhattacharjee, Arti Sharma, Kun Dai, Thejus Pramod, Lenard Saile, Ralf Thomann, charalampos Pappas
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-jthl3
 
Subject: Chemistry
,
Working Paper
, Title:

Hidden complexity in D2O Ice VII

, Authors: Wojciech Andrzej Slawinski, Grzegorz Lach, Roman Gajda, Michal Chodkiewicz, Piotr Rejnhardt, Mihails Arhangelskis, Christopher Ridley, Craig L Bull, Krzysztof Wozniak
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-gs7cn
 
Subject: Chemistry
,
Working Paper
, Title:

Enantioconvergent Access to Chiral S(VI) Stereocenters by Kinetic Resolution of Sulfonimidoyl Chlorides

, Authors: Arko Das, Shree Krishna Dhakal, Ramon Trevino, Seth Fremin, Vy Nguyen, Arka Porey, Sachchida Nand, Chandan Kumar Giri, Daniel Wherritt, Hadi Arman, Oleg Larionov
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-8jpj4
 
Subject: Chemistry
,
Working Paper
, Title:

A Deep Learning Approach to Searching Property Spaces of Materials

, Authors: Robert Joseph Appleton, Brian Barnes, Steven Son, Alejandro Strachan
Version undefined posted 17 September 2025
Posted
Sep 17, 2025
10.26434/chemrxiv-2025-pm0bn
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding Differences in Water Adsorption Isotherms: Structural Variations, Force Fields, and Monte Carlo Simulation Approaches

, Authors: Filip Formalik, Beibei Jia, Bartosz Mazur, Prerna Prerna, Zhao Li, Hsiao-Feng Liu, Pragya Parihar, Randall Q. Snurr, J. Ilja Siepmann
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-qjxmf
 
Subject: Chemistry
,
Working Paper
, Title:

Membrane composition reshapes the folding landscape of a pH-responsive peptide

, Authors: Raiza Maia, Carlos Baiz
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-nv1mg
 
Subject: Chemistry
,
Working Paper
, Title:

Modular synthesis of highly substituted benzenes from pericyclic cascade of divinyl carbinols

, Authors: Hyewon Jang, Heeeun Kim, Hyunghwan Seo, Jeongyeon Hwang, Yonghoon Kwon
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-bkd6n
 
Subject: Chemistry
,
Working Paper
, Title:

Redox-Neutral Thioether C–H Activation Enables Stereoselective Noncanonical Amino Acid Synthesis

, Authors: Gregory R. Alvey, Lucas Kusch, Luca Condrau, Siza Kuin, Marnix van Golverdingen, Peter Dinér, Markus D. Kärkäs
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-01mlw
 
Subject: Chemistry
,
Review
, Title:

Global analysis of polyfluorene via AB-type Suzuki–Miyaura polymerization: Empirical and mechanistical rationalization of structural and reaction parameters on molar mass, dispersity and yield

, Authors: Alexander Kleine, Ulrich S. Schubert, Michael Jäger
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-hjdkx
 
Subject: Chemistry
,
Working Paper
, Title:

A new benchmark for deep learning based affinity prediction: Solving the inter-protein scoring noise problem

, Authors: Malte Grieswelle, Samuel Homberg, Philipp Janssen, Johannes Kaminski, Joana Massa, Stefan Georgiev, Oliver Koch
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-sf3cs
 
Subject: Chemistry
,
Working Paper
, Title:

Structural and Mechanical Properties of Sodium Stearate in Glycol–Water Mixtures: Implications of Composition

, Authors: Mihail T. Georgiev, Ralitsa I. Uzunova, Theodor D. Gurkov, Ophelie Torres, Emily Cross
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-hdtl0
 
Subject: Chemistry
,
Working Paper
, Title:

Low-Pressure Operation of All-Solid-State Batteries Enabled by Low-Hardness Creep-Prone Electrodes

, Authors: Zhaoyang Chen, Alae Eddine Lakraychi, Santosh Thapa, Lihong Zhao, Liqun Guo, Jie Zheng, Yanliang Liang, Yang-Tse Cheng, Yan Yao
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-0fvvk
 
Subject: Chemistry
,
Working Paper
, Title:

A Versatile Method for Accurately Predicting Electronic Absorption Spectra of Tetrapyrrole Macrocycles

, Authors: Guofan Zhang, Xuanzhi Wang, Qirui Sun, Hanchi Zhao, Jiaao Han, Haoyuan Yang, Hanyu Wang, Chengshu Tian, Aizhen Kuang, Lanxiang Lai, Chulong Zhang, Tianhao Li, Rui Liu
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-9gsp2
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical Metal-free Hydrocarbamoylation of Allylamines

, Authors: Mariusz Zalewski, Sebastian Stecko
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-dd94q-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Extended Inter-laboratory Characterization of the New Coastal Seawater Dissolved Organic Matter Reference Material TRM-0522

, Authors: Alexander J. Craig, Lydia Babcock-Adams, Maxime C. Bridoux, Charlotte Brun, Juliana D’Andrilli, Aleksandar I. Goranov, Patrick G. Hatcher, Oliver Lechtenfeld, Hang Li, Rebecca Matos, Garrett McKay, Amy M. McKenna, Madelyn Miller, Sasha Wagner, Margot E. White, Alexander Zherebker, Jeffrey A. Hawkes
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-1232j
 
Subject: Chemistry
,
Working Paper
, Title:

Polymer-Based Adaptive Catalyst for Monoacylation of Symmetrical Diols

, Authors: Keigo Sonokawa, Kiyosei Takasu, Yusuke Kuroda
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-qn4lq
 
Subject: Chemistry
,
Working Paper
, Title:

Organocatalytic approach to vinylic nucleophilic substitution

, Authors: Matvey Ilyushchenko, Rinat Salikov, Yury Tomilov
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-8zrlk
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical impedance spectroscopy investigation of the SEI formed on lithium metal anodes

, Authors: Lorenz Olbrich, Niccolo Pianta, Ben Jagger, Yiming Xu, Manav Kakkanat, Federico Scarpioni, Christopher Allen, Fabio La Mantia, Riccardo Ruffo, Mauro Pasta
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-dk4gl
 
Subject: Chemistry
,
Working Paper
, Title:

σ- vs π-Binding: Lewis Acids Bind Lone Pairs, Not Double Bonds

, Authors: Eveline Tiekink, Yuman Hordijk, Trevor Hamlin
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-kxt6v
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing the performance of quantum-mechanical descriptors in physicochemical and biological property prediction

, Authors: Alejandra Hinostroza Caldas, Artem Kokorin, Alexandre Tkatchenko, Leonardo Medrano Sandonas
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-hj4dc
 
Subject: Chemistry
,
Working Paper
, Title:

Three-Dimensional or Multi-Dimensional Molecular Hyperstructure and Molecular HyperGraph

, Authors: Takaaki Fujita
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-262qc
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Scale Structural Taxonomy with HyperStructure and SuperHyperStructure

, Authors: Takaaki Fujita
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-368pz
 
Subject: Chemistry
,
Working Paper
, Title:

Luminescent chiral molecular glasses by melt-quenching enantiopure BINAP

, Authors: Nuttaporn Krittametaporn, Philipp Ralle, Dorothea Dierks, Christian Nelle, Suresh K. Vasa, Pascal Kolodzeiski, Rasmus Linser, Andreas Steffen, Sebastian Henke
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-qrc2c
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of Charged Small Molecule Conformations in Solution using a Balanced ML/MM Potential

, Authors: Richard Bryce, Christopher Williams, Neil Burton
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-9hps8
 
Subject: Chemistry
,
Working Paper
, Title:

N-centered, yet Stable: an Electronic Structure Investigation of FLP-type Stabilized N₂O-Based Radicals

, Authors: Andrea Orellana Ben Amor, Laure Vendier, Vincent César, Vincent Maurel, Julien Panetier, Nicolas Queyriaux
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-20l40
 
Subject: Chemistry
,
Working Paper
, Title:

A Food-Grade Ready-to-Use Cell Culture Coating Agent Developed via Food Manufacturing: A Dual Technical and Regulatory Approach

, Authors: Hiroaki Hatano, Misaki Sawada, Misaki Kitsukawa, Azusa Hayakawa, Hiroaki Kondo, Ikko Kawashima
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-9gfsq
 
Subject: Chemistry
,
Working Paper
, Title:

Material Preparation Information File (MPIF): A Community-Driven Standard for Reporting MOF Syntheses

, Authors: Ocean Cheung, Shun Tokuda, Damian Jędrzejowski, Evelyn Ploetz, Bettina Baumgartner, Marzena Pander, Fengxu Yang, Jack D Evans, Romy Ettlinger, Stefan Wuttke, Dariusz Matoga
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-bnh8p
 
Subject: Chemistry
,
Working Paper
, Title:

Biaxial Recognition: Towards Chiral Resolution of Allene-Dicarbonyl Compounds by Iodolium-Based Halogen Bond Donors

, Authors: Anna Schmidt, Dominik L. Reinhard, Julius Busse, Elric Engelage, Stefan M. Huber
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-p419l
 
Subject: Chemistry
,
Working Paper
, Title:

Endogenous Labelling of Extracellular Vesicles and Image Capture of their Interactions with Acceptor Cells

, Authors: Donal O'Shea, Eden Booth, Massimiliano Garre, Dan Wu
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-4t29r
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Crystal X-Ray Diffraction (MCXRD) Bridges the Crystallographic Characterisation Gap in Chemistry and Materials Science: Application to MOFs

, Authors: Joshua P. Smith, Rebecca Smith, Thomas M. Roseveare, Dominic Bara, Alexander J. R. Thom, Ross S. Forgan, Mark R. Warren, Anna J. Warren, Robin L. Owen, Lee Brammer
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-4v2fp
 
Subject: Chemistry
,
Working Paper
, Title:

Role of defects in reversible surface restructuring and activity of Co3O4 oxygen evolution electrocatalysts

, Authors: Carl Hendric Scharf, Alex Chandraraj, Konrad Dyk, Felix Stebner, Sören Lepin, Jing Tian, Laila El Bergmi Byaz, Jochim Stettner, Christian Leppin, Anastasiia Kotova, Sebastian Reinke, Julia Linnemann, Fouad Maroun, Olaf M. Magnussen
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-5901g
 
Subject: Chemistry
,
Working Paper
, Title:

Aryl Aldehyde-anchored Small Molecules Recruit FBXO22 for Targeted Degradation of NSD2

, Authors: Hua Tang, Yaxian Liao, Tsung-Yu Yeh, Kazuya Nishibayashi, Chunrong Li, Regina Stasser de Gonzalez, Yuan Zhao, Nina Hawkins, Weiping Tang
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-wzgxk
 
Subject: Chemistry
,
Working Paper
, Title:

Native Chemical Ligation at Phenylalanine via 2-Mercaptophenylalanine

, Authors: Christina R. Forbes, Brice A. Ludwig, Glenn P. A. Yap, Neal J. Zondlo
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-v4bs2
 
Subject: Chemistry
,
Working Paper
, Title:

Ethylene and Alkyl Acrylate Copolymers Made-to-Order Using Dynamic Cation Switching Polymerization and Evidence for Improved Polymer Degradability with Low Polar Group Density

, Authors: Tuhin Ganguly, Lorenzo Ruiz De Castilla, Rumela Adhikary, Loi Do
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-87wld
 
Subject: Chemistry
,
Working Paper
, Title:

Anti-concentration quenching violet-blue TADF OLEDs via indirect conformal distributions tuning in solid-state

, Authors: Hong-Ji Tan, Guo-Xi Yang, Jie-Rong Yu, Zhi-Qiang Long, Qing-Xiao Tong, Ze-Lin Zhu, Yin-Xuan Zhang, Daniel Dawson, Sharon Ashbrook, Shi-Jian Su, Jing-Xin Jian, Eli Zysman-Colman, Chun-Sing Lee
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-ln7pn
 
Subject: Chemistry
,
Working Paper
, Title:

Exploiting an underutilised sustainable sacrificial reductant for net reductive mechanophotocatalysis reactions

, Authors: Francis Millward, Eli Zysman-Colman
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-rcqbq
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Mechanisms of Liraglutide Aggregation Induced by Dual Air-Water and Silicone-Oil-Water Interfacial Stress

, Authors: Naomi Hamada, Aaron Cutts, Jing Song, Guangli Hu, Dan Fu, W. Peter Wuelfing, Yongchao Su, Jing Ling
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-11cbq
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate and Rapid Electrochemical Detection of Fentanyl in Hydrophobic Ionic Liquid at Subzero Temperatures

, Authors: Ethan Burcar, Alex Keta, Dougherty Megan, Brian Evans, Ashley Demerle, Joseph Yang, Xinyu Zhang, Zhe Wang
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-k282t
 
Subject: Chemistry
,
Working Paper
, Title:

Hybrid Multi-Resonance Thermally Activated Delayed Fluorescence Emitters via Carbonyl-Mediated Structural Engineering

, Authors: Tianjiao Fan, Qiwei Liu, Dongdong Zhang, Lian Duan
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-6qv2t
 
Subject: Chemistry
,
Working Paper
, Title:

Adamantane-Bridged Boron-Nitrogen-based Multi-Resonance TADF Emitters for Narrowband Green OLEDs with Extended Operating Lifetime

, Authors: Tianjiao Fan, Qiwei Liu, Dongdong Zhang, Lian Duan
Version undefined posted 18 September 2025
Posted
Sep 18, 2025
10.26434/chemrxiv-2025-42x33
 
Subject: Chemistry
,
Working Paper
, Title:

Operando Raman Gradient Analysis for data-driven electrolyte discovery

, Authors: Junyi Zhao, Ben Jagger, Siyi Sun, Yiming Xu, Mauro Pasta
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-rvxkb
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering the Molecular Mechanisms of Startle Disease: the Role of the Asn46Lys Mutation in the Glycine Receptor

, Authors: Jacob Adam Clark, Guangpeng Xue, Carla Molteni
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-mr5rn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Crossing the Oxo-Peroxo Wall for Selective Electrochemical Epoxidation

, Authors: Pooja Basera, Shyama Charan Mandal, Frank Abild-Pedersen, Michal Bajdich
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-13tpf
 
Subject: Chemistry
,
Working Paper
, Title:

A Two-Phase Enzymatic Cascade for Indigo Synthesis From Anthranilate

, Authors: Ruben Marcel de Boer, Ditte Hededam Welner
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-0xdfr
 
Subject: Chemistry
,
Working Paper
, Title:

Real-space machine learning of correlation density functionals

, Authors: Elias Polak, Heng Zhao, Stefan Vuckovic
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2024-zk6hp-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Polyoxometalate-Loaded Carboxymethyl Chitosan Nanoparticles with Anticancer Activity

, Authors: Jaclyn M. Parris, Giann Wiprächtiger, Reyhaneh Hooshmandabbasi, Caroline Maake, Greta R. Patzke
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-vcn88-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Artificial Intelligence based LC-OzESI-MRM for Isomer-Resolved Triacylglycerol Profiling by In-Source Ozonolysis

, Authors: Caitlin Randolph, Sanjay Iyer, Connor Beveridge, Stephen Blanksby, Berwyck Poad, Shane Tichy, Amy Clingenpeel, Gaurav Chopra
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-fggfh
 
Subject: Chemistry
,
Working Paper
, Title:

Redox Cycling on Unmodified Gold Interdigitated Ultramicroelectrode Arrays for Interferent Free Electrochemical Detection of Pyocyanin

, Authors: Shane O'Sullivan, David Fox, Megan Taggart, James Dooley, Sasitharan Balasubramaniam, Alan O'Riordan
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-732rk
 
Subject: Chemistry
,
Working Paper
, Title:

Development of Shell-Space Electrostatic Potential Fitting Charges in a United-Atom Model for Amino Acids Simulations

, Authors: Fengyu Li, Yuwei Zhang, Fei Xia, Xin Xu
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-fsqh4
 
Subject: Chemistry
,
Working Paper
, Title:

An Organic High-Temperature Photothermal Material for Solar Conversion and Storage

, Authors: He Xu, Yuhan Liu, Xusheng Jiang, Pengbo Han, Weiduo Wang, Wei Zhou, Bo Song, Yaxin Zhai, Bin Hu, Anjun Qin, Ben Zhong Tang
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-818cr
 
Subject: Chemistry
,
Working Paper
, Title:

Controlled Hydrogenation of Styrene-Butadiene Copolymers Using Tetralin as a Liquid Organic Hydrogen Carrier

, Authors: Seulchan Lee, Kwanyong Jeong, Ji Hoon Park, Yagnaseni Ghosh, G. K. Surya Prakash, Soon Hyeok Hong
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-mtwb6
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Assembly of Chiral Alkyl Radical Precursors via Enantioselective NHC-Catalyzed Redox-Esterification of N-Hydroxyphthalimide (NHPI)

, Authors: Xuguang Wang, Alexander Schiller, Maja Schulze, Yufei Yan, Daniel Janssen-Müller
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-9wvgm
 
Subject: Chemistry
,
Working Paper
, Title:

Monitoring Lysosomal Viscosity in Hyperglycaemia in Association with Ca+2 Homeostasis and Alzheimer's Disease using NIR Emissive Zn-Metal Complex

, Authors: Abdul Salam, Bodhidipra Mukherjee, Goraksha T. Sapkal, Chayan Kanti Nandi
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-4tn40
 
Subject: Chemistry
,
Working Paper
, Title:

A natural scheme for the quantitative analysis of the magnetically induced molecular current density using an oriented flux-weighted stagnation graph. II. Stagnation line branching and homodiatomics

, Authors: Maria Dimitrova, Juliane Arning, Christoph Dalitz, Raphael J. F. Berger
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-v4qh1
 
Subject: Chemistry
,
Working Paper
, Title:

Concerted Proton-Electron Transfer Minimizes Substituent Effects on Adsorbed Phthalocyanine Electrocatalysis

, Authors: Vennela Mannava, Logan E. Smith, Joel G. Gardner, Sharon Hammes-Schiffer, Yogesh Surendranath
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-lv4s2
 
Subject: Chemistry
,
Working Paper
, Title:

Light-Induced Palladium(IV)-Carbon Bond Homolysis

, Authors: Linda De Marchi, Maxime Tricoire, Luca Demonti, Oleh Stetsiuk, Angus Shephard, Lhoussain Khrouz, Salauat Kiraev, Olivier Maury, Thayalan Rajeshkumar, Laurent Maron, Grégory Danoun, Gregory Nocton
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-vqdmb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Disentangling first and second sphere effects in iron-sulfur cubanes

, Authors: Liam Grunwald, Katja Csizi, Daniel Klose, Vladimir Pelmenschikov, Martin Clemancey, Hongxin Wang, Micha Weber, Henrik Seng, Yoshitaka Yoda, Daniel Abbott, Patrick Dubourdeaux, Stephen Cramer, Markus Reiher, Geneviève Blondin, Victor Mougel
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-zv4gp-v3
 
Subject: Chemistry
,
Working Paper
, Title:

CRISP: Enhancing ASE Workflows with Advanced Molecular Simulation Post-Processing

, Authors: Indranil Saha, Lukáš Grajciar, Daniel Willimetz
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-dht8g-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Intra-Class Classification of Volatile Amines using Impedance Spectroscopy Platform

, Authors: Palwinder Kaur, Amol P. Bhondekar, Sudeshna Bagchi
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-jpsdn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

When Machine Learning Models Learn Chemistry I: Quantifying Explainability with Matched Molecular Pairs

, Authors: Kerrin Janssen, Jan M. Wollschläger, Jonny Proppe, Andreas H. Göller
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-d57kp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis, Redox Chemistry, and Electronic Structures of bis-di(silylamido)silane f- element Complexes

, Authors: Benjamin Réant, S. Genevieve Duggan, John Seed, Pere Miró, Conrad Goodwin
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-4v72t-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Improved Cycle Life and Li-Ion Transport Parameters at Low Temperature in Doped Ni-Rich NMC Cathodes

, Authors: Ethan Williams, David Burnett, Wilgner Lima da Silva, Jack Swallow, Ryan Parmenter, Robert Weatherup, Peter Slater, Emma Kendrick
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-940p9-v2
 
Subject: Chemistry
,
Review
, Title:

New powder feedstocks for laser-based additive manufacturing – DFG Priority Program 2122

, Authors: Anna Rosa Ziefuss, Bilal Gökce, Stephan Barcikowski
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-jdzxw
 
Subject: Chemistry
,
Working Paper
, Title:

Single-Crystal Synchrotron X-ray diffraction Study Reveals Bulk Intermediate M2 phase during the VO2 Insulator-to-Metal transition

, Authors: Jacob Svane, Michael Quintero, Emilie Skytte Vosegaard, Magnus Kløve, Daniel Alexander Mayoh, Geetha Balakrishnan, Bo Brummerstedt Iversen
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-6dprd
 
Subject: Chemistry
,
Working Paper
, Title:

The Nano World of Espresso: Oil Droplets and Rigid Polymer Structures Shape the Shot

, Authors: Pascal Bertsch, Abinaya Subramaniyan, Chahan Yeretzian, Stefan Salentinig
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-r0nrj
 
Subject: Chemistry
,
Working Paper
, Title:

Distributed direct air capture by carbon nanofiber air filters

, Authors: Ronghui Wu, Yi Xie, Gangbin Yan, Edward Luo, Qizhang Li, Yuanke Chen, Yu Han, Genesis M. Higueros, Amar Ruthen, Chenxi Sui, Adarsh Suresh, David B. Mitzi, Chong Liu, Po-Chun Hsu
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-br6lr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Toward Predictive Modeling of Industrial Crystallizers: A Compartmental Framework for Coupling Hydrodynamics and Population Dynamics

, Authors: Kimiya Ramezani, Claudio P. Fonte, Ashwin Kumar Rajagopalan
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-bt7k3
 
Subject: Chemistry
,
Working Paper
, Title:

Timescales of Gaseous Smoke Contamination Indoors from Real and Simulated Wildland-Urban Interface (WUI) Fires

, Authors: Michael F. Link, Aika Y. Davis, Nathan M. Lima, Ryan L. Falkenstein-Smith, Rileigh L. Robertson, Thomas G. Cleary, Steven Emmerich, Dustin Poppendieck
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-xp9sr
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Analysis of Nickel Catalyst Speciation in Reductive Biaryl Synthesis Using Thin Layer Electrochemistry and a Microelectrode

, Authors: Buwanila Punchihewa, Antonio Romero-Arenas, Daniel Weix, Robert Paton, Shannon Stahl, Mohammad Rafiee
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-wxj5d
 
Subject: Chemistry
,
Working Paper
, Title:

Interplay of Dual-Site Metal Disorder on the Thermodynamic Stability and Electronic Structures of Cu(I)-Containing Molybdovanadate and Tungstovanadate Compounds

, Authors: Machima Mongkhonratanachai, Subhendu Jana, Paul Maggard
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-k9p98
 
Subject: Chemistry
,
Working Paper
, Title:

Structure and electrochemical properties of PtIrRu, PtIrRhRu and PtIrPdRhRu nanoparticles synthesized by alcohol-mediated reduction methods

, Authors: Raul Castellano Perdomo, Andreas Dueholm Bertelsen, Nikolaos Antonios Iakynthos Nemet, Bo Brummerstedt Iversen
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-k9hr1
 
Subject: Chemistry
,
Working Paper
, Title:

Why we should care about the fate of biological contaminants from municipal wastewater in reverse osmosis concentrate.

, Authors: Lauren Kennedy, Camila Madeira, Mya Valenzuela, Scott Miller
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-3qfcn
 
Subject: Chemistry
,
Working Paper
, Title:

Azobenzene-Functionalized Ionic Liquids: Light-Responsive Surfactants with Catalytic Potential

, Authors: Markus Hegelmann, Stefan Frei, Julian Zuber, Johannes Luibl, Wolfgang Korth, Andreas Jess, Peter Coburger, Mirza Cokoja
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-wfr47
 
Subject: Chemistry
,
Working Paper
, Title:

Hybrid DFT quality thermochemistry and environment effects at GGA cost via local quantum embedding

, Authors: József Csóka, Dénes Berta, Péter Nagy
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-ll9h9
 
Subject: Chemistry
,
Review
, Title:

The Modern Era of Multireference Methods for Chemistry and Materials Science

, Authors: Jacob Wardzala, Matthew Hennefarth, Valay Agarawal, Bhavnesh Jangid, Aniruddha Seal, Matthew Hermes, Daniel King, Laura Gagliardi
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-h9c6z
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning the surface charge of cellulose super-bridging agents for improved performance during wastewater treatment

, Authors: Owen Armstrong, Masashi Kaneda, Georgina Kalogerakis, Mathieu Lapointe, Nathalie Tufenkji
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-k8cb5
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering of degradable linkers to improve the oxidative sensitivity of thioketal-based biomaterials

, Authors: Karina Bruce, Dylan Marques, Alan Fullenkamp, Emma-Louise Lowell, Rais Fataki, Jake Ryan, John Martin
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-90j5h
 
Subject: Chemistry
,
Working Paper
, Title:

Towards Utility-Scale Electronic Structure with Sample-Based Quantum Bootstrap Embedding

, Authors: Joel Bierman, Yuan Liu
Version undefined posted 19 September 2025
Posted
Sep 19, 2025
10.26434/chemrxiv-2025-lwj7d
 
Subject: Archaeology
,
Working Paper
, Title:

Relatively unknown Rock-cut Caves at Beed khurd in Khalapur, Raigad

, Authors: Rohit Bhosale
Version undefined posted 21 September 2025
Posted
Sep 21, 2025
10.33774/coe-2025-hwvgp
 
Subject: Anthropology
,
Working Paper
, Title:

The Authority of the Zāmil in Yemeni Society

, Authors: Ahmed AL-Maljamie
Version undefined posted 21 September 2025
Posted
Sep 21, 2025
10.33774/coe-2025-ptbq3
 
Subject: Chemistry
,
Working Paper
, Title:

Iron-based Lewis/Brønsted Deep Eutectic Solvents for the hydrolysis of nylon-6,6

, Authors: Marco Rollo, Francesca Rastelli, Marta Ximenis, Elisa Martinelli, Gianluca Ciancaleoni, Haritz Sardon
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-jcgmq
 
Subject: Chemistry
,
Working Paper
, Title:

Validation of benchtop NMR-based quantification of saturated, monounsaturated, and polyunsaturated fatty acids in edible oils

, Authors: Umrbek Mavlanov, Sardorbek Atajanov, Sharofiddin Nuriddinov, Sardorjon Shukurov Salimovich, Soyibjon Bozorov, Tomasz Pawel Czaja, Bekzod Khakimov
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-dmfc8
 
Subject: Chemistry
,
Working Paper
, Title:

Global cost drivers and regional trade-offs for low-carbon fuels: a prospective techno-economic assessment

, Authors: Zipeng Liu, Tom Terlouw, Patrick Frey, Christian Bauer, Russell McKenna
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-3fns5
 
Subject: Chemistry
,
Working Paper
, Title:

Observing Optically Dark States in the Photoswitchable Azobenzene with Resonant Inelastic X-ray Scattering

, Authors: Zhong Yin, Ambar Banerjee, Ivan Rajkovic, Emelie Ertan, Annette Pietzsch, Alexander F¨ohlisch, Simone Techert, Michael Odelius
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-x2hzr
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrafast X-ray Imaging of Coherently Controlled Molecular Dynamics in Real Space and Time

, Authors: Thomas R Hopper, James M Glownia, Adi Natan
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-gxbgs
 
Subject: Chemistry
,
Working Paper
, Title:

A Peptide-Based Porous Coordination Polymer with Ultrahigh Water-Alcohol Selectivity

, Authors: Konstantinos Papadopoulos, Bartosz Mazur, Sebastian Ehrling, Antonia Mosberger, Bogdan Kuchta, Volodymyr Bon, Stefan Kaskel
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-p3g44
 
Subject: Chemistry
,
Working Paper
, Title:

Bacterial Display of Genetically Encoded Macrocyclic Peptide Libraries using Cysteine-Reactive Unnatural Amino Acids

, Authors: Olabode Dawodu, Jeffery Tharp
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-c6vdg
 
Subject: Chemistry
,
Working Paper
, Title:

Ionic Liquid Catalyzes Reactive CO2 capture

, Authors: Rohan Sartape, Rashmi Mishra, Vamsi V. Gande, Sophia Johnson, Bianca Berry, Rohit Chauhan, Amey Thorat, Jindal Shah, Meenesh R. Singh
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-6rzqv
 
Subject: Chemistry
,
Working Paper
, Title:

TiO2 Protective Layers Shape Photocathode Performance in Photoelectrochemical CO2 Reduction

, Authors: Linxiao Wu, Yumeng Han, Hao Chen, Peixuan Liu, Jinshui Cheng, Bin Shao, Jingshan Luo
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-pg53w
 
Subject: Chemistry
,
Working Paper
, Title:

Analytic Polarizability and Vibrational Raman Spectra from Constrained Nuclear-Electronic Orbital Density Functional Theory

, Authors: Haoran Chen, Yuzhe Zhang, Yiwen Wang, Kecai Xuan, Zehua Chen, Yang Yang
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-wwf3w
 
Subject: Chemistry
,
Working Paper
, Title:

Skyrmion-Like Spin Textures Emerging in the Material Derived from Structural Frustration

, Authors: YiXu Wang, Ian Campbell, Zachary Tener, Judith Clark, Jacnel Graterol, Hu Zhang, Yi Long, Richard Dronskowski, Xiaoping Wang, Michael Shatruk
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-95t55
 
Subject: Chemistry
,
Working Paper
, Title:

Atomistic mechanisms of Ti₃AlC₂ etching: oxidation, surface stability, and selectivity

, Authors: Valentina Nesterova, Ana-Maria Stratulat, Walter Malone, Vadym Mochalin, Majid Beidaghi, Konstantin Klyukin
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-s4rrw
 
Subject: Chemistry
,
Working Paper
, Title:

Weighted ensemble simulations with the Drude polarizable model

, Authors: Marcelo Polêto, Gabriel Monteiro da Silva, Brenda Rubenstein, Justin Lemkul
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-z0bkx
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamical fragment molecular orbital interaction analysis of SARS-CoV-2 RNA-dependent RNA polymerase and remdesivir

, Authors: Shuhei Miyakawa, Koji Okuwaki, Yusuke Kawashima, Yuma Handa, Takayuki Furuishi, Estuo Yonemochi, Koichiro Kato, Kaori Fukuzawa
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-0l7pq
 
Subject: Chemistry
,
Working Paper
, Title:

Learning the One-Electron Reduced Density Matrix at SCF Convergence Thresholds

, Authors: Bhaskar Rana, Nicolas Viot, Jessica A. Martinez B., Xuecheng Shao, Pablo Ramos, Michele Pavanello
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-2gp1s
 
Subject: Chemistry
,
Working Paper
, Title:

Dissecting Non-Radiative Decay in Donor-Functionalized Radicals with a Mode-Resolved Model

, Authors: Robert Toews, Andreas Köhn
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-nvz22
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Guided Synthesis of Prospective Organic Molecular Materials: An Algorithm with Latent Variables for Understanding and Predicting Experimentally Unobservable Reactions

, Authors: Kazuhiro TAKEDA, Naoya OHTSUKA, Toshiyasu SUZUKI, Norie MOMIYAMA
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2023-bvvdb-v9
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemistry-assisted Au/TiO2/AC catalyst synthesis and regeneration for enhancing acetylene hydrochlorination reaction

, Authors: Dandan Dong, Yusheng Lu, Dongyang Qiao, Zhongyuan Guo, Yin Xue, chaofeng huang, Bin Dai
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-qd9s1
 
Subject: Chemistry
,
Working Paper
, Title:

UV Excitation of Uracil Results in the Formation of a Ground-State Intermediate in Less Than One Picosecond and Its Lifetime is Quenched by Nucleophilic Water Addition

, Authors: Reshma Mathew, Tazrin I. Tonny, Carlos E. Crespo-Hernández
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-vkrxr
 
Subject: Chemistry
,
Review
, Title:

Stirring the Debate: How Mixing Influences Reproducibility and Efficiency in Synthetic Organic Chemistry

, Authors: Jasper Schuurmans, Stefan Zondag, Arnab Chaudhuri, John Van der Schaaf, Timothy Noel
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-1m8pt
 
Subject: Chemistry
,
Working Paper
, Title:

Proteome-Wide Target Identification Using Reactive Metallo-Scaffolds (r-mS): A Platform for Metallodrug Discovery

, Authors: Jessica E. Waters, George S. Biggs, Harry Wilders, Emma E. Cawood, Jonathan Bailey, Mika Kintzel, Sarah Maslen, Yew Mun Yip, Mason Wakley, Joanna Redmond, J. Mark Skehel, David House, Jacob Bush, Jeannine Hess
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-gvz2g
 
Subject: Chemistry
,
Working Paper
, Title:

From soup to structure: Simulating hydrated semi-crystalline proton exchange membranes

, Authors: Eddy Barraud, Séverine Humbert, Florent Moreau, Pierre Levitz, Véronique Lachet, David Pasquier, Carlos Nieto-Draghi
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-wmq2v
 
Subject: Chemistry
,
Working Paper
, Title:

Response Factor Correction for Quantitative Determination of Homooligomeric Protein Binding to DNA by Native Protein Mass Spectrometry

, Authors: Anthony Blue, Miguel Rodriguez-Escalante, Raul Villacob, Madeline Bannon, George Carpenter, Elyssia Gallagher, Michael Trakselis
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-6ds1h
 
Subject: Chemistry
,
Working Paper
, Title:

A Vector-Based Algorithm for Generating Complete Balanced Reaction Sets with Arbitrary Numbers of Reagents

, Authors: Nataliia Yilmaz, Pavlo Kozub, Svitlana Kozub
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-fvn80
 
Subject: Chemistry
,
Working Paper
, Title:

High-energy resolution x-ray spectroscopy reveals long-sought bonding characteristics of La3+ homologues for radiopharmaceuticals

, Authors: Harry Ramanantoanina, Bianca Schacherl, Attila Kovács, Michelangelo Tagliavini, Emily Reynolds, Cedric Reitz, Ruwini Ekanayake, Martin Schäfer, Paul-Valentin von Massow, Jörg Göttlicher, Ralph Steininger, Kathy Dardenne, Maurits Haverkort, Martina Benešová-Schäfer, Tonya Vitova
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-xgd7l
 
Subject: Chemistry
,
Working Paper
, Title:

Stapline: Development of a Force Field Library for Stapled Peptide Residues

, Authors: Evangelia Notari, Marie T. J. Bluntzer, Julien Michel, Alison N. Hulme
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-xfcnm
 
Subject: Chemistry
,
Working Paper
, Title:

Radical Enantioconvergent meta-Alkylation of Pyridines: Reaction Development and Mechanistic Insight

, Authors: Zhongyi Zeng, Shi Qin, Xinyu Gao, Qixin Li, Mingyu Zhang, Ying Lin, Mei Wang, Mingkai Yang, Shengdong Wang, Zhi Zhou, Hui Gao, Wei Yi
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-c39xv
 
Subject: Chemistry
,
Working Paper
, Title:

Data-guided rational design of additives for halogenation of highly fluorinated naphthalenes: Integrating fluorine chemistry and machine learning

, Authors: Naoya OHTSUKA, Muhammad Zhafran MOHD ARIS, Toshiyasu SUZUKI, Norie MOMIYAMA
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-zmt33
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Functionalized Carbon Nitride with Enhanced Room-Temperature Phosphorescence for Afterglow Visual Biosensing

, Authors: Zhuang Wang, Yongji Wang, Hong Yang, Kaiqing Wu, Jinpeng Cai, Kaiyuan Wang, Chenchen Wang, Songqin Liu, Chaofeng Huang, Yanfei Shen, Wei Wei, Yuanjian Zhang
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-h4p1x
 
Subject: Chemistry
,
Working Paper
, Title:

A feasible, low temperature production of germanium nanowires: a photoelectrochemical study

, Authors: Vladislav Drinek, Jaroslav Kupčík, Pavel Dytrych, Martin Kostejn, Radek Fajgar, Vera Jandova
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-kwjn3
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular conformation engineering in central 8π-electron system toward unique aggregation-induced ultra-narrowband emission with a FWHM of 13 nm

, Authors: Lu Liu, Han Zhang, Chenfa Xiao, Bingzhu Ma, Baoxi Li, Xin He, Guanjun Xiao, Bo Zou, Baolei Tang, Hongyu Zhang, Jacky W. Y. Lam, Ben Zhong Tang, Zhiming Wang
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-z928g
 
Subject: Chemistry
,
Working Paper
, Title:

Room temperature surfactant-free syntheses of colloidal gold nanoparticles: comparison of the precursors HAuCl4 and HAuBr4

, Authors: Mathilde Pihl Sørensen, Hilary Fokam, Aleksandra Smolska, Julie Christine Hamer Larsen, Nina Lock, Jonathan Quinson
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-l8w54
 
Subject: Chemistry
,
Working Paper
, Title:

How Patch-Induced Charge Regulation Drives Adsorption of Proteins into Polyelectrolyte Brushes

, Authors: Keerthi Radhakrishnan, Christian Holm
Version undefined posted 22 September 2025
Posted
Sep 22, 2025
10.26434/chemrxiv-2025-8mrgm
 
Subject: Chemistry
,
Working Paper
, Title:

In situ X-ray scattering guided polymorphism control in ZrO2 nanoparticle synthesis

, Authors: Magnus Kløve, Andreas Dueholm Bertelsen, Nikolaos Antonios Iakynthos Nemet, Bo Brummerstedt Iversen
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-3w6f3
 
Subject: Chemistry
,
Working Paper
, Title:

Lipase-Driven Deconstruction of Polyether Polyurethane Foams through Alcoholysis toward a Closed-Loop Recycling

, Authors: Riccardo Moro, Daniel Grajales-Hernández, Katarzyna Swiderek, Ion Olazabal, Gabriel Perli, Andrea Rizzo, Mariana Armendáriz-Ruiz, Rut Fernández-Marín, Javier Calvo, Vicent Moliner, Haritz Sardón, Fernando López Gallego
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-ghfmk
 
Subject: Chemistry
,
Working Paper
, Title:

Single-step coating of cellulose nanofibrils on paper for sustainable food packaging

, Authors: Sandro Zier, Zechariah Hoeft, John P.W.Quinn, Amir Kordijazi, Caitlin Howell, Douglas Bousfield
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-b6gbx
 
Subject: Chemistry
,
Working Paper
, Title:

Pseudopotential effects on electronic properties in transition metal oxides using Wannier functions

, Authors: Aykut Öztürk, Peter Kraus
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-st7mw
 
Subject: Chemistry
,
Review
, Title:

Advancing Battery Manufacturing: Synchrotron Characterization for Industry

, Authors: Hyeongjun Koh, James Burrow, Nicolo D'Anna, Haozhe Zhang, Beatrice Tharigopala Vincent, Jiaqi Wang, Jianwai Lai, Yiming Chen, Jordi Cabana, Maria Chan, Ethan Crumlin, Paul Fenter, Timothy Fister, Di-Jia Liu, Ying Shirley Meng, Oleg Shpryko, Kamila Wiaderek, Kelsey Hatzell
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-xc2q8
 
Subject: Chemistry
,
Working Paper
, Title:

Multimodal mass spectrometry imaging for plaque- and region-specific neurolipidomics in Alzheimer’s disease mouse models

, Authors: Timothy J. Trinklein, Stanislav S. Rubakhin, Samuel Okyem, Seth W. Croslow, Marisa Asadian, K.R. Sabitha, Orly Lazarov, Fan Lam, Jonathan V. Sweedler
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2024-2hbb7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Maximizing Driving Force in the Design of N-oxyl Hydrogen Atom Transfer Catalysts

, Authors: Cheng Yang, Luke Farmer, Olaya Bernardo, Sahil Arora, Subrata Ghosh, Stephen Maldonado, Derek Pratt, Corey Stephenson
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2024-ww74d-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Generic Machine Learning Potential for Accelerating Transition State Search in Organic Synthesis

, Authors: Kaipai Ren, Kun Tang, Yujing Zhao, Lei Zhang, Jian Du, Qingwei Meng, Qilei Liu
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-mzz6w-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Mn-Catalyzed Regioselective Alkene Hydrosilylation: from Mecha-nism Investigation to the Design of a pre-Catalyst Candidate

, Authors: Ming-Yu CHEN, Naime SOULE, Alejandra ZULUAGA, Antoine FROT, Anthony VIVIEN, Clément CAMP, Chloé THIEULEUX, Pierre-Adrien PAYARD, Marie-Eve L. PERRIN
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-7t50s-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Phase relations between temperature induced phase transition–hysteresis and bending strain in an elastically flexible molecular crystal

, Authors: Somnath Dey, Hans Gildenast, Shibabrata Nandi, B. Villiam Hakala, Hend Shahed, Andrzej Grzechnik, Sitaram Ramakrishnan, Sander van Smaalen, Carsten Paulmann, Martin Tolkiehn, Georg Roth, Lars Peters
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2024-k04rf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

First and Second Order Expansions for Origin Independent Vibronic Calculations of Electronic Chiroptical Spectra Beyond the Franck-Condon Approximation

, Authors: José Antonio Quiñonero, Fabrizio Santoro, Javier Cerezo
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-l759x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking density functional approximations in nonadiabatic dynamics: trans-cis isomerization in retinal model

, Authors: Lea M. Ibele, Carlo Adamo, Davide Avagliano
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-s9zgq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Interactions of N-Heterocyclic Carbene-Carbodiimide (NHC-CDI) Adducts with Light: Electronic, Steric, and Conjugation Effects

, Authors: Briana Krupinsky, Anthony Schlimgen, Jessica Lamb
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-fnk2m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Evidence for significant multi-Li+ clustering in common lithium-ion battery electrolytes

, Authors: James M. Stevenson, Garvit Agarwal, Lakshmi Bhai, Sibali Debnath, Zachary K. Goldsmith, Monosij Mondal, Inwon Yeu, Rishabh D. Guha, Asya Svirinovsky-Arbeli, Daniel Steingart, Lauren Marbella, Alexander Urban, Leif D. Jacobson, Mathew David Halls, Richard A. Friesner
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-ndqzk-v2
 
Subject: Chemistry
,
Review
, Title:

Functional Materials for Rare Earth Element Recovery from Secondary Sources: A Mini Review of Adsorption-Based Strategies

, Authors: Yifu Feng, Honghong Shi, Lili Liu, Xin Zhang, Dupeng Liu
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-3rlf4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Quantifying Components in a Model Vaccine with Machine-Learning-Augmented Raman Spectroscopy

, Authors: Jana Hahn, Pooja Gune, Sascha Hein, Wolf Holtkamp, Marcel Holger Schulz, Walter Matheis, Volker Oeppling, Christel Kamp
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-zxszr
 
Subject: Chemistry
,
Working Paper
, Title:

Breaking New Ground in Direct Mechanocatalysis: Knoevenagel Condensation via Supported Organo-catalysts on Zirconia

, Authors: Maxime Provost, Joao Tanepau, Thierry Buffeteau, Marie Gressier, Frédéric Lamaty, Julien Pinaud, Xavier Bantreil, Marie-Joelle Menu, Sandrine Duluard
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-0zstm
 
Subject: Chemistry
,
Review
, Title:

Computational studies of prebiotic chemistry at the age of machine learning: from recent breakthroughs to future revolutions

, Authors: Olaia Anton, Guillaume Stirnemann
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-4qvdz
 
Subject: Chemistry
,
Working Paper
, Title:

A Coarse-Grained, Coupled Oscillator Toy Model to Describe Low-Frequency Lattice-like Vibrations of β-sheets in Amyloid Fibrils

, Authors: David Punihaole, Madeline Harper
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-22zc6
 
Subject: Chemistry
,
Working Paper
, Title:

Singlet Fission in Anthracene in Solution

, Authors: Nikumoni Doley, Ashish Sharma, Srimanta Gogoi, Ruchir Gupta, Atanu Nandy, Sachin Dev Verma
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-8l11b
 
Subject: Chemistry
,
Working Paper
, Title:

Palladium-Catalyzed Carbo-Oxygenative Cyclization of Chloroprenes to Access Organo-fluorophores

, Authors: Puja Singh, Sanjay Bisht, Manoj V Mane, Jonaid A. Malik, Manwi Shankar, Boddu S. Naidu, Javed N. Agrewala, Aslam Chandbhai Shaikh
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-9v43h
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating Modulation of Surface Charge on Nucleic Acid/MoS2 Interface: An Electrochemical Study

, Authors: Mahmudun Noby, Prabhangshu Das, Mohammad Asad, William Almy, Mohtashim Shamsi
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-qxkbv
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Design of a TCR-Based Bispecific Engager Targeting Cancerous KRAS G12V Mutations

, Authors: Nisarg Shah, Gargi Sharma, Vihaan Patel, Melinda Wu, Anishreddy Mummadi, Anya Taneja, Moksh Shah, Gia Bao Le, Madhav Krishna, Harman Brah
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-nqbk1
 
Subject: Chemistry
,
Working Paper
, Title:

HRTEM Imaging and Mechanistic Insights into Carbon Nanotube Nucleation and Growth on Fe Nanocatalysts in a Thermal Plasma

, Authors: Hengfei Gu, Stanislav Musikhin, Guangming Cheng, Nan Yao, Yevgeny Raitses, Bruce E. Koel
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-nhvq9
 
Subject: Chemistry
,
Working Paper
, Title:

Engineered C₁₂₀ Fullertube/MXene Heterostructures for Tunable Schottky–Mott Junctions

, Authors: Emmanuel Bourret, Lauran Pearson, Mina Shawky Adly, Michel Côté, Luis Echegoyen, Andrew Lupini, David Geohegan, Ivan Vlassiouk, Bo wang, Alain Puente-Santiago, Xinqi Chen, Tianwei He, Demetris Geddis, Steven Stevenson, Mohamed Noufal
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-tktf0
 
Subject: Chemistry
,
Working Paper
, Title:

ANNalog — Generation of MedChem-similar Molecules

, Authors: Wei Dai, Jonathan D Tyzack, Arianna Fornili, Chris de Graaf, Noel M O’Boyle
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-9c1v6
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the deviation from Nernst-Einstein conductivity in ionic liquids using machine learning

, Authors: Aditi Seshadri, Lyndon Hess, Shuwen Yue
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-4n7r9
 
Subject: Chemistry
,
Working Paper
, Title:

Nonaqueous formation mechanism of zirconium and hafnium oxo clusters

, Authors: Harry Wilson, Dietger Van den Eynden, Ajmal Roshan Unniram Parambil, Angelo Mullaliu, Carlotta Seno, Jikson Pulparayil Mathew, Muhammed Jibin Parammal, Rohan Pokratath, Christopher B. Whitehead, Tatjana N. Parac-Vogt, Jonathan De Roo
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-fhlln
 
Subject: Chemistry
,
Working Paper
, Title:

Gram-Scale Synthesis and Physicochemical Properties of exo- and endo-5,5-Difluorooctahydropentalen-2-amines

, Authors: Olena Voloshyna, Bohdan Moroz, Kostiantyn P. Melnykov, Serhii Holovach, Dmytro Lesyk, Yuliia Holota, Petro Borysko, Andrey A. Filatov, Oleksandr O. Grygorenko
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-jtgck
 
Subject: Chemistry
,
Working Paper
, Title:

Pressure-induced pKa shifts influence conformations of pH-sensitive polymers

, Authors: Ved Mahajan, Varun Mandalaparthy, Nico F. A. van der Vegt
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-60322
 
Subject: Chemistry
,
Working Paper
, Title:

Isolation and Cycloaddition Reactions of a Stable Boraketene

, Authors: Yannick Konrad, Merle Arrowsmith, Holger Braunschweig
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-l9qnb
 
Subject: Chemistry
,
Working Paper
, Title:

Gold/Gold Oxide as a Solid State On-Chip pH Sensing Probe

, Authors: Kathleen Kennedy, Md Ridwan Adib, Karl Rönnby, Ian Seymour, Michael Nolan, Mark Fenelon, Alan O'Riordan
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-rzr9m
 
Subject: Chemistry
,
Working Paper
, Title:

Surfactant-free NaBH4-mediated synthesis of gold nanoparticles in water at room temperature: fine size control for active nanocatalysts

, Authors: Hilary Kouawa Fokam, Aleksandra Smolska, Jonathan Quinson
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-rwh33
 
Subject: Chemistry
,
Working Paper
, Title:

Heterogeneity of Free O--H Groups at the Air/Water Interface

, Authors: Richa Rashmi, Kuo-Yang Chiang, Yuki Nagata, Mischa Bonn, Francesco Paesani
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-x7mm6
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a GC-MS/MS method to quantify 120 gut microbiota-derived metabolites

, Authors: Nikita Denisov, Fabian Springer, Amber Brauer-Nikonow, George Maftei, Georg Zeller, Denise Medeiros Selegato, Michael Zimmermann
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-gwggz
 
Subject: Chemistry
,
Working Paper
, Title:

Development and Validation of Itraconazole capsule by using HPLC

, Authors: RUSHIKESH LANDE
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-886q4
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of pH, temperature, and moisture on the rheological behaviour of soy protein concentrate doughs

, Authors: Martijn I. Gobes, Yagmur Bugday, John P.M. van Duynhoven, Johannes Hohlbein, Ruud G.M. van der Sman
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-hrm06
 
Subject: Chemistry
,
Working Paper
, Title:

Empowering Federated Learning for Robust Compound-Protein Interaction Prediction across Heterogeneous Cross-Pharma Domains

, Authors: Takuto Koyama, Hiroaki Iwata, Ryosuke Kojima, Takao Otsuka, Aki Hasegawa, Hiroshi Ueda, Toshiharu Morimoto, Ryoko Sasaki, Nao Torimoto, Sei Murakami, Manabu Tojo, Teruki Honma, Shigeyuki Matsumoto, Yasushi Okuno
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-nj6jd
 
Subject: Chemistry
,
Working Paper
, Title:

Quinone-Grafted Chitosan Polymers Enhance Microbial Extracellular Electron Transfer for Living Bioelectronic Devices

, Authors: Xinyuan Zuo, Siliang Li, Abdullah Alazmi, Fiona Chen, Ravindra Saxena, Harsh Vardhan, Caroline Ajo-Franklin, Rafael Verduzco
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-ss6fz
 
Subject: Chemistry
,
Working Paper
, Title:

Two-Dimensional Frameworks from Metal Oxo Clusters at Liquid Interfaces

, Authors: Ajmal Roshan Unniram Parambil, Muhammed Jibin Parammal, Prashant Hitaishi, Seyed Amirabbas Nazemi, Narmadha Devi Suresh Kumar, Bridget M. Murphy, Thomas Jung, Jonathan De Roo, Patrick Shahgaldian
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-d26l8
 
Subject: Chemistry
,
Working Paper
, Title:

Direct MechanoOrganoCatalysis via Surface Functionalization of Milling Reactors

, Authors: Joao Tanepau, Maxime Provost, Marie Gressier, Marie-Joelle Menu, Sandrine Duluard, Frédéric Lamaty, Julien Pinaud, Xavier Bantreil
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-4r6qt
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-catalyzed synthesis and functionalization of 2-methoxy-6H-benzo[b]indeno[1,2-d]thiophen-6-one tetracyclic scaffold

, Authors: Mandy AYMARD, Killian JACOB, Eileen FOLEY, François HALLÉ, Thierry LOMBERGET
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-37244
 
Subject: Chemistry
,
Working Paper
, Title:

Resistance Gene-Guided Discovery of a Fungal Spirotetramate as an Acetolactate Synthase Inhibitor

, Authors: Tsz Ki Chan, Xingxing Wei, Li Ma, Hang Wang, Pan Liao, Yudai Matsuda
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-2zn37
 
Subject: Chemistry
,
Working Paper
, Title:

Extended configuration-interaction singles method with core/valence separation (XCIS-CVS): Core-level spectra of open-shell molecules

, Authors: Avik Ojha, John Herbert
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-16vr4
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Guided Discovery of Robust Conditions for Photochemical Nickel-Catalyzed Cysteine Arylation

, Authors: Nikolaos Kaplaneris, Elia Savino, Zhen He, Naya Stini, Michael Vanzella, Méritxell Fillols, Petros Siasiaridis, Oliver Bayley, Kim Halskov, Wouter Hogendorf, Felix Wojcik, Christoforos Kokotos, Timothy Noel
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-zwqnt
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Leader cue or partisanship? Categorizing lasting electoral support for a charismatic movement

, Authors: Pablo Velasco-Oña, Paolo Moncagatta
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.33774/apsa-2025-f655c
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Disproportionality at Fair Elections Cannot Exceed 1/sqrt(2): A Note on the Gallagher Index and a New Normalised Measure

, Authors: Jack Bailey
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.33774/apsa-2025-khfwb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reusable 3D-Printed microfluidic-on-Fabric with Modular Electrodes for Point-of-Care Na+ and K+ Detection in Various Biofluids

, Authors: Tao Zhang, Grayson Ruffner, Sarah Varney, Inchan Baek, Bella Fong, Hui Chen, Chengpeng Chen
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-gqm2q
 
Subject: Chemistry
,
Working Paper
, Title:

Flash Communication: Cobalt-Catalyzed Asymmetric Hydrogenation of a Fluorinated Cyclobutenoic Acid Derivative

, Authors: Katherine Moffa, Lauren Mendelsohn, Connor MacNeil, Ian Davies, David Leahy, Matthew Pecoraro, Paul Chirik
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-nmr9v
 
Subject: Chemistry
,
Working Paper
, Title:

Automatic Calculation of Kinetic Coverage Dependence using Pynta: Combining Active Learning and Automated Quantum Chemistry

, Authors: Matthew Johnson, Judit Zádor
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-nkj4m
 
Subject: Chemistry
,
Working Paper
, Title:

Formylation–Decarbonylation Relay Strategy for the Selective Hydrogenation of CO2 to CO

, Authors: James Luk, Luke Andrew, Matthew Andrews, Michael Buehl, Amit Kumar
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-xw58w
 
Subject: Chemistry
,
Working Paper
, Title:

Computing Reaction Kinetics with MC-PDFT–OPESf: Combining Multireference Electronic Structure Theory and Enhanced Sampling

, Authors: Aniruddha Seal, Laura Gagliardi, Andrew Ferguson
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-4w013
 
Subject: Chemistry
,
Working Paper
, Title:

ToF-SIMS as a Rapid Method for Mapping Rare Earth Elements and Anion Cluster Associations in Drill Core Samples

, Authors: Yifu Feng, Xiaoxu Li, Zheming Wang, Kevin M Rosso, Zihua Zhu, Xin Zhang
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-xfvjt
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling BCL-xL-specific PROTAC Efficiency and Dissociation Mechanisms Using Native Mass Spectrometry

, Authors: Mohamed I. Gadallah, Kailyn L. Nonhof, Digant Nayak, Peiyi Zhang, Olivia Dioli, Guangrong Zheng, Shaun K. Olsen, Daohong Zhou, Jennifer S. Brodbelt
Version undefined posted 23 September 2025
Posted
Sep 23, 2025
10.26434/chemrxiv-2025-zfjsj
 
Subject: Chemistry
,
Working Paper
, Title:

Role of Surface Hydroxyls and Lattice Oxygen in Governing Selectivity and Restructuring during Acetic Acid Conversion on Fe3O4(001)

, Authors: Jose Ortiz-Garcia, Marcus Sharp, Daniel Baranowski, Bruce Kay, Zbynek Novotny, Zdenek Dohnalek
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-mq97d
 
Subject: Chemistry
,
Working Paper
, Title:

Measurement-Informed Methane Emission Inventories Must Account for the Impact of Repair Interventions

, Authors: Haojun Xia, Arvind Ravikumar
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-1fwlh
 
Subject: Chemistry
,
Working Paper
, Title:

A Food-Grade, Animal-Free Cell Dissociation Alternative Product Developed via a Food Regulatory Pre-Check Framework

, Authors: Hiroaki Hatano, Misaki Sawada, Misaki Kitsukawa, Azusa Hayakawa, Hiroaki Kondo, Ikko Kawashima
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-g3jdp
 
Subject: Chemistry
,
Working Paper
, Title:

Mixed-linker metal–azolate framework biocomposites: tuning hydrophobicity and synthesis pH enhances Candida rugosa lipase activity

, Authors: Verena Lipic, Francesco Carraro, Max Schmallegger, Behnaz Abbasgholi-NA, Simone Dal Zilio, Helmar Wiltsche, Chiaramaria Stani, Giovanni Birarda, Lisa Vaccari, Eva-Maria Steyskal, Mercedes Linares-Moreau, Paolo Falcaro
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-kvshs
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel-catalysed Carbon Hybrids with a Nasal Vestibular-Like Microstructure from a Preceramic Polymer Route as an Advanced Electrode for Supercapacitors

, Authors: ASHUTOSH DAS
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-7bqbr
 
Subject: Chemistry
,
Working Paper
, Title:

Platinum(II)-Catalyzed Cyclopropanation of Vinyl Arenes and 1,3-Aryl Dienes Employing Aryl Diazirines as Carbene Precursors

, Authors: Brady Slinger, Miguel Cohen Suarez, Ross Widenhoefer
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-c8r1f
 
Subject: Chemistry
,
Working Paper
, Title:

Chemoenzymatic synthesis of N-linked glycan receptors of H1N1 influenza virus on human airway epithelial cells

, Authors: Shengyang Wang, Ting-Hui Lin, Aristotelis Antonopoulos, Chika Kikuchi, Digantkumar G. Chapla, Pablo Valverde Sanchez, Kelley W. Moremen, Stuart M. Haslam, Ian A. Wilson, James C. Paulson
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-w085x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Transferable and Transparent Energy Decomposition-based Machine Learning Models for Computing Accurate Reaction Energetics

, Authors: Carlos R. Jacinto-Mejia, Loriano Storchi, Giovanni Bistoni
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-tmv00-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Perylenediimide-based Metal-Organic Frameworks: Structural, Electrochemical and Spectroelectrochemical Characterisation

, Authors: Neil Champness, Joseph Ogar, Stephen Davies, Asia Almuhana, Sarah Griffin, Matthew Addicoat, Stephen Argent
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2024-hgp3w-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Accessibility and Reactivity of Pentavalent Plutonium Under Alkaline Conditions

, Authors: Dmytro Kravchuk, Emily Mikeska, Richard Wilson
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-2xzrv-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reactive MgO enhanced carbonation resistance in Alkali-Activated Materials by forming M-S-H-type gels: Linking microstructure, strength, and phase stability

, Authors: Shaswat Kumar Das, Yuya Suda
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-fcr83-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Deaminative 1,n-Difunctionalization of Alkenes Via Controlled Chain Walking

, Authors: Nicholas T. Wodzenski Jr., Mandapati Bhargava Reddy, Raj Debnath, Quinton J. Bruch
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-x6k7h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Activity Relationship of Novel Phenolic-Branched Amides Reveals Potent, Isolate-specific Antifungal Activity and Morphological Disruption of Cacao Fungal Pathogens

, Authors: Ezekiel Ahn, Masoud Kazem-Rostami, Sunchung Park, Richard Ashby, Helen Ngo, Lyndel Meinhardt
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-qjtsn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Resolution-Adaptive Binning Enhances Machine Learning Modeling By Inter-Batch and Multi-Platform Orbitrap-Based Shotgun Mass Spectrometry Data Integration

, Authors: Hiu-Lok Ngan, Jialing Zhang, Kenneth Kin-Leung Kwan, Jacinth Wing-Sum Cheu, Li Zhong, Yike Guo, Xian Yang, Carmen Chak-Lui Wong, Hong Yan, Zongwei Cai
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-vs2dz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Computational-aided Design of Neutral Chiral Bidentate Tellurium-Triazoles for Enantioselective Chalcogen-Bonding Catalysis

, Authors: Lary Massold, James O'Brien, Kevin Fengler, Alica Keuper, Raquel Hidalgo, Cristina Trujillo, Olga Garcia Mancheno
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-h42tq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Aluminum-Rich Reconstructed Sapphire as a High-Quality Substrate for Tungsten Disulfide Synthesis

, Authors: Vesa-Matti Hiltunen, Marios Matheou, Antonio Rossi, Ben Richard Conran, Kenneth Boh Khin Teo, Stefano Dal Conte, Armando Genco, Giulio Cerullo, Stiven Forti, Camilla Coletti
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-85znw
 
Subject: Chemistry
,
Working Paper
, Title:

Data-driven prediction of single-molecule magnets through spatial-electronic cooperation

, Authors: Qi Wang, Yuan Li, Xinyuan Wang, Si-Min Xu, Airu Yin, Qian Peng
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-7r39c
 
Subject: Chemistry
,
Working Paper
, Title:

Intramolecular Stabilization of Naphtho[2,1-b:3,4-b’]dithiophenes: Synthesis and Analysis of Imine-Based Chromophores

, Authors: Emmanuel Adusei, Sarah Ibrahim, Kara Jenneker, Calvin Goldsmith, Danielle Dragoi, Matthias Zeller, Zacharias Kinney
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-5c5dz
 
Subject: Chemistry
,
Working Paper
, Title:

InNMR: an innovative NMR-tube insert enables direct studies of transport phenomena in situ

, Authors: Amelie Frison, Marit Melbye Sørensen, Kristoffer Prince, Finn Lillelund Aachmann, Gøril Eide Flaten, Philip Rainsford, Johan Isaksson
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-mzpv4
 
Subject: Chemistry
,
Working Paper
, Title:

Photoinduced C(sp3)–Br bond Functionalization via Halogen Bond Interactions

, Authors: Vivek Kumar, Ananthakrishna Panuganti, Fathima Beevi V, Abhishek Kumar, Rositha Kuniyil, Veera Reddy Yatham
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-htsst
 
Subject: Chemistry
,
Working Paper
, Title:

Patterned polypept(o)ide bottlebrush copolymers with orthogonal end groups for biofunctional interfaces

, Authors: Bonan Zhao, Christine Ilona Seidl, Rüdiger Berger, Lu Su, Matthias Barz
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-5xtjx
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetic NMR screening: rapidly quantifying fast ligand dissociation in fragment mixtures using ¹⁹F relaxation dispersion

, Authors: Sophia Hazlett, Nikita Harvey, Ben Davis, Christopher Waudby
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-vt1wg
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring Lithium Diffusion in LiF with Machine Learning Potentials: From Point Defects to Collective Ring Diffusion

, Authors: Paolo De Angelis, Umberto Raucci, Francesco Mambretti, Matteo Fasano, Eliodoro Chiavazzo, Pietro Asinari, Michele Parrinello
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-fv0zl
 
Subject: Chemistry
,
Working Paper
, Title:

Models of DG bands in Raman spectra: effects of basis functions and initial values on the uniqueness and S/N of fits obtained for atmospheric aerosol using automated methods

, Authors: David Doughty, Steven Hill
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-m1tfz
 
Subject: Chemistry
,
Working Paper
, Title:

Towards robust databases: an ensemble-based workflow for error detection applied to chemical data

, Authors: Mikhail Khrisanfov, Dmitriy Matyushin, Andrey Samokhin
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-6bh22
 
Subject: Chemistry
,
Working Paper
, Title:

Phytochemical Profile and Antibacterial Activity of Stem Bark Extracts of Stereospermum kunthianum (Pink Jacaranda)

, Authors: Abdullahi Momohjimoh, Abdulaziz A. Ali, Hussein U. Gende, Muhammad Tukur Mukhtar, Mahmud Lawal, Jabir Abdullahi, Ismaila Deen Salawu, Oluwasegun Ademati, Emmanuel Ndezure
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-5nk8q
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery and development of inhibitors of heat shock factor 1 by a fluorescence polarization assay

, Authors: Geoffrey H Chan, Matthew Moschitto
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-17854
 
Subject: Chemistry
,
Working Paper
, Title:

Base pairing-driven tautomeric switching governs fluorescence turn-on of the nucleobase analogue DEAtC

, Authors: Ana Shalamberidze, Harrison Pearce, Andrew Cooksy, Byron Purse
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-2m16v
 
Subject: Chemistry
,
Working Paper
, Title:

Partial Desolvation Causes Lithium Structural Transport in Liquid and Gel Polymer Electrolytes.

, Authors: Junkun Pan, Aaron P. Charnay, Benjamin P. Charnay, Michael D. Fayer
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-0gdrq
 
Subject: Chemistry
,
Working Paper
, Title:

Xeno-nucleic acids support formation of Ag(I)-mediated duplexes and silver nanoclusters

, Authors: Rweetuparna Guha, Eshana Bethur, Nicholas Chim, Manoj Gupta, Rebecca Taylor, John Chaput, Stacy Copp
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-c1wxn
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Tuning of Triplet State Energies of π-Systems through Covalent and Noncovalent Modifications of Embedded cis-Amide Units

, Authors: Sho Fukuda, Daiki Morishita, Said Jalife, Judy I. Wu, Yoshimitsu Itoh
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-cxfzs
 
Subject: Chemistry
,
Working Paper
, Title:

Scribing mesopores in zirconium-based MOF thin films via metal-node and linker self-assembly

, Authors: Suvendu Panda, Bijan Sarkar, Rajarshi Ghosh, Ritesh Haldar
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-ss2f9
 
Subject: Chemistry
,
Working Paper
, Title:

Interpretable and Scalable Similarity Metrics for DNA-Encoded Library Design Using Generative Topographic Mapping

, Authors: Louis Plyer, Alexey Orlov, Tagir Akhmetshin, Erik Yeghyan, Fanny Bonachera, Dragos Horvath, Alexandre Varnek
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-v4183
 
Subject: Chemistry
,
Working Paper
, Title:

Fluoride Electrolyte Discovery via Reactivity Guided Genetic Algorithms

, Authors: Vignesh Sathyaseelan, Brett Savoie
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-h2rgp
 
Subject: Chemistry
,
Working Paper
, Title:

Biocatalytic Site- and Stereoselective Carbonyl Desaturation for Late-Stage Functionalization of Cyclic Ketones

, Authors: Shixuan Cao, Yueyue Zhu, Jincheng Lei, Rupeng Dai, Tianyu Zhu, Yuxuan Ye
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-q7j3b
 
Subject: Chemistry
,
Working Paper
, Title:

A fixation-compatible fluorescent probe for sensitive and specific imaging of exogenous and endogenous esterase activity

, Authors: Yuuta Fujikawa, Momoka Sakamaki, Yukina Hijikata, Saki Manaka, Toru Komatsu, Yuki Maemoto, Kota Noritsugu, Akihiro Ito, Yoshio Hayashi
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-hq01h
 
Subject: Chemistry
,
Working Paper
, Title:

A trade-off between efficiency and stability in a class of sky-blue OLEDs

, Authors: Eglė Tankelevičiūtė, Sandra Jenatsch, Beat Ruhstaller, Eli Zysman-Colman, Ifor Samuel
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-p9xzt
 
Subject: Chemistry
,
Working Paper
, Title:

A General Strategy for Enhancing the Brightness of Near-Infrared Fluorophores

, Authors: Xinqi Zhou, Kayla Belavek, Ruwen Yin, Yuan Fang, Julia McAfee, Lauren Lesiak, Kunyan Zhang, Mao-Rui Cai, Jiang He, Eran Rabani, Graham Fleming, Cliff Stains, Evan Miller
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-f17vm
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a High-Power, Laser based Setup for In-Situ Illuminated NMR-Spectroscopy

, Authors: Franz F. Westermair, Ruth M. Gschwind
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-6bqcq
 
Subject: Chemistry
,
Working Paper
, Title:

UNRAVELING THE INTERPLAY: THE INFLUENCE OF FROTHER CHEMISTRY ON FROTH LAYER DYNAMICS IN FLOTATION

, Authors: Nishonbek Kenjayev, Mansurjon Xolmatov
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-trmhs
 
Subject: Chemistry
,
Working Paper
, Title:

AN INTERPRETATION OF CLASSICAL TRANSITION STATE THEORY FOR KINETICS IN MATERIALS SCIENCE

, Authors: Michael Aziz
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-9p52m
 
Subject: Chemistry
,
Working Paper
, Title:

Metal separation by mineral carbonation coupled with electromediated stripping and regeneration: toward sustainable metal extraction

, Authors: Deborah Romito, Adrien Forot, Maxime Ducreux, Franck Ulm, Guillaume Erbland, Lisa Dajean, Kai-Jher Tan, Paola Brenni, Jin-Soo Kang, T. Alan Hatton, Julien Leclaire
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-z41jq
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Inception in Narrative Engineering in Intelligence and Geopolitics

, Authors: Eton Chan
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.33774/apsa-2025-7pd03
 
Subject: Chemistry
,
Review
, Title:

Optical Activity in Crystalline Solids: Theoretical Formulations of Vibrational Circular Dichroism

, Authors: Sascha Jähnigen
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-b07pl
 
Subject: Chemistry
,
Working Paper
, Title:

Decoding Regioselectivity in Cu-Catalyzed Borylation of Al-kynes: Insights from Machine Learning and Artificial Intelligence

, Authors: Guillermo Marcos-Ayuso, David Quesada, María Y. Cobos-Abad, Carlos Lendinez Sanchez, Sara Fernandez Moyano, Pablo Mauleon Perez, Ramón Gómez Arrayás
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-1b0jp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Suppress Oxygen Ordering and Deviation for the Design of Bismuth Oxide-based Low Temperature Ionic Conductors

, Authors: Yi Li, Zhen Fang, Wenbo Zhou, Xiaobo Liao, Wanyin Xu, Qianqian Li, Wenpei Gao, Jianbo Wu, Tao Deng, Zhenpeng Yao
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-m7kdn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Assembly of Face Decorated Cuboidal Cages into Ultraporous Structures with Hierarchical Porosity: Accessing MOFs with the Awaited red-a Topology

, Authors: Konstantinos Froudas, Constantinos Tsangarakis, Tamsyn Montagnon, Charalampos Livas, Emmanuel Klontzas, George Froudakis, Christos Tampaxis, Georgia Charalambopoulou, Theodore Steriotis, Pantelis Trikalitis
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-0dszk
 
Subject: Chemistry
,
Working Paper
, Title:

Topology-driven design of an ultraporous red MOF for high-performance hydrogen storage

, Authors: Xu Chen, Lik Hong Wee, Mohammad Reza Alizadeh Kiapi, Christos Tampaxis, Yan Zheng, Mehrdad Asgari, Dhruv Menon, Tom Willhammar, Luke Keenan, Georgia Charalambopoulou, Yong Cui, Theodore Steriotis, David Fairen-Jimenez
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-f39b4
 
Subject: Chemistry
,
Working Paper
, Title:

Expedited Site-Selective Modification of Peptides and Proteins at N-Terminal Cysteine Facilitated by Imidazole

, Authors: Peng Wang, Junjie Liu, Yang Huang, Anjing Lu, Chuanliu Wu, Yu-Hsuan Tsai, Chunmao He
Version undefined posted 24 September 2025
Posted
Sep 24, 2025
10.26434/chemrxiv-2025-pt1r3
 
Subject: Chemistry
,
Review
, Title:

Prospects for forming C–N bonds from dinitrogen

, Authors: Nereida Hidalgo, Ryan Walser-Kuntz, Patrick Holland
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-5xqww
 
Subject: Chemistry
,
Working Paper
, Title:

Chemoselective Divergence via Substrate Control: Decarboxylative and Decarbonylative Coupling of 2-Oxoacids with Allylic Difluorides

, Authors: Taylor Semeniuk, Austin Pounder, Dennis D. Toporkov, Stacey D. Wetmore, Jean-Denys Hamel
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-nclkk
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation into Clearance of Organic Compounds from Biomanufacturing Process Streams during Ultrafiltration/Diafiltration

, Authors: Noemí Dorival-García, Anna Mulligan, Ronan Hayes, Charles Felice, Aidan Sexton, Ping-Ping Wang, Jonathan Bones
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-zmxnt
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing Effects of Leachables in Single-Use Systems used in Cell Therapy Manufacture

, Authors: Noemí Dorival-García, Gareth Lomasney, Jonathan Bones
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-xlbrf
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

From Kinetic Relativity to Potential Relativity: A Relativistic Quantum Mechanical Framework Based on Energy Conservation and Equivalence Principles

, Authors: dongqi liu, shifa liu
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.33774/coe-2025-v7545-v2
 
Subject: Mathematics
,
Working Paper
, Title:

The Misconception of Relativistic Mass: A Modern Perspective on Mass and Energy in Special Relativity

, Authors: Chinnaraji Annamalai
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.33774/coe-2025-cp050
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

From Space-Time Relativity to Energy-Momentum Relativity: A First-Principles Derivation from the Equivalence of All Forms of Energy

, Authors: dongqi liu, shifa liu
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.33774/coe-2025-2rh7v
 
Subject: Mathematics
,
Working Paper
, Title:

The Spherical Gravitational Well Within a Cube

, Authors: Chinnaraji Annamalai
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.33774/coe-2025-3pqnw
 
Subject: Mathematics
,
Working Paper
, Title:

Analysis of Mass-Energy Equivalence in Chemical vs. Nuclear Reactions

, Authors: Chinnaraji Annamalai
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.33774/coe-2025-lg22w
 
Subject: Chemistry
,
Working Paper
, Title:

Swiping Right on Palladium: Matching Precursors, Ligands, and Reaction Conditions

, Authors: Maximilian Notheis, Hubert Spreitzer, Angelino Doppiu, Nico Fleck
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-6rs0l
 
Subject: Chemistry
,
Working Paper
, Title:

Regulated Silica Deposition for Porosity Control and Mechanical Enhancement of Bijels

, Authors: Meyer T. Alting, Martin F. Haase
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-b7p6l-v2
 
Subject: Chemistry
,
Review
, Title:

Analyzing density-driven errors: Principles and pitfalls

, Authors: Sehun Kim, Do-Gyeong Lee, Gyumin Kim, Youngsam Kim, Mihira Sogal, Steven Crisostomo, Kieron Burke, Eunji Sim
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-18txc
 
Subject: Chemistry
,
Review
, Title:

The coordination chemistry of 2,2′-bis-p-tBu-calix[4]arene

, Authors: Euan Brechin, Scott Dalgarno
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-zp3lv
 
Subject: Chemistry
,
Review
, Title:

Valorization Pathways for Sodium Sulfate: Addressing One of the Most Abundant By-Products of the Battery Industry

, Authors: Jacob Olchowka, Cédric Tassel, Vinz Ymannuelle C. Tatad
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-lzph8
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Linking Groups in Chelating Bis-carbene Iridium Catalysts for Transfer Hydrogenation of Inorganic Carbonates with Glycerol

, Authors: Marvin Linus Richter, Eduardo Peris, Sergio Gonell
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-d2xhj
 
Subject: Chemistry
,
Working Paper
, Title:

Mimicking Life and Death in a Photocatalytic Supramolecular System

, Authors: Alessandro Aliprandi, Elisa Pelorosso, Mirco Scaccaglia, Anna Fortunato, Dario Alessi, Luca Morgan, Francesca Arcudi
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-njh5l
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of Operating Temperature on Yield and Product Characteristics from the Co-pyrolysis of Waste Newspaper and HDPE.

, Authors: Pritam Kumar Patel, Ankit Kumar
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-5t4d0-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Insights into Plasmon-Driven Hot Electron Transfer from Silver Nanoclusters to PFAS: Interplay of Size and Electronic Structure

, Authors: Khushboo Bhardwaj, Pramod Kumar Verma, Samir Kumar Nayak, Sharma S. R. K. C. Yamijala
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-5sb3r
 
Subject: Chemistry
,
Working Paper
, Title:

Adapting Quantum Machine Learning for Energy Dissociation of Bonds

, Authors: Swathi Chandrasekhar, Shiva Raj Pokhrel, Navneet Singh
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-9x650
 
Subject: Chemistry
,
Review
, Title:

Recent Advances in the Antimicrobial Potential of Boron Cluster Compounds

, Authors: William Price Cunliffe, Peter Rutledge, Louis Rendina
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-3h2kx
 
Subject: Chemistry
,
Working Paper
, Title:

An Intermediate Solvation Regime to Enable Efficient Quasi-Solid-State Conversion in Li–S Batteries

, Authors: Roby Soni, Yiming Guo, Matthias Golomb, Neubi Xavier, Qiong Cai, Thomas Miller
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-bzvpl
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing the Orientation of Columnar Discotic Liquid Crystals for Narrowband Blue Emission with Enhanced Out-coupling Efficiency Towards Improvement of SP-OLEDs Performance

, Authors: Joydip De, Abhishek Kumar Gupta, Džiugas Litvinas, Francisco Tenopalacarmona, Matthias Lehmann, Malte Gather, Eli Zysman-Colman
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-m7x1t
 
Subject: Chemistry
,
Working Paper
, Title:

Modulating Fluorescence of Rhodamine through Molecular Rotor for Wash-free Living-cell Nanoscopy

, Authors: Yuan Luo, Lili Du, Ke Liu, Chunbai Xiang, Yuanyuan Wang, Daoyong Jiang, Xiangyang Lou, Xiaokang Zhang, Xiaoshuai Huang, Ping Gong, Ben Zhong Tang, Lintao Cai, Pengfei Zhang
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-b8fjh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical PCO-Group Transfer Provides P-Analogues of Beta-Lactams

, Authors: Duleeka Wannipurage, Justin Kendrick, Guilherme Berto, Matthew Figgins, Richard Thompson, Mark Del Campo, David Powers
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-tbnch
 
Subject: Chemistry
,
Working Paper
, Title:

TADF-Emitting Dendrimers for Scalable Bar-Coating Fabrication of Light-Emitting Electrochemical Cells

, Authors: Shi Tang, Dianming Sun, Erik Zäll, Christian Larsen, Eli Zysman-Colman, Ludvig Edman
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-5n4jh
 
Subject: Chemistry
,
Working Paper
, Title:

Deep Learning-based prediction of self-energies from ab initio Dynamical Mean-Field Theory for real materials with minimal data sets

, Authors: Pragati Mitra, Hrishit Banerjee
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-dp7rd
 
Subject: Chemistry
,
Working Paper
, Title:

Additive-Guided Synthesis of CuInS₂ Nanocrystals Enabling Efficient Radiative Recombination

, Authors: Spyros Orfanoudakis, Panagiotis Dallas, Nikolaos Zacharopoulos, Polychronis Tsipas, Alexandros Banis, Leonidas Tsetseris, Athanasios G. Kontos, Thomas Stergiopoulos
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-vxsc5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Characterizing the Binding and Function of Transcription-Inhibiting Compounds Designed to Target Nucleotide Repeat Expansions

, Authors: Raihana Afroz, Nana Acheampong, Jillian Berko, Michael Berko, Aliza Aslam, Sarah Krueger, Varun Gadkari
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-1sfcn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Kinase Ligand Generation Using Subpocket-Based Docking

, Authors: Katharina Buchthal, Paula Linh Kramer, Dominik Hubach, Gina Bach, Naemi Wagner, Johannes Krieger, Moritz Klöpper, Michael Daude, Wibke Diederich, Andrea Volkamer
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-f9ctg
 
Subject: Chemistry
,
Review
, Title:

Reframing Instability: The Paradoxical Role of Oxygen in CsPbBr3 Nanocrystals under Visible-Light

, Authors: Pravat Nayek, Lipika Bardhan, Prasenjit Mal
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-3n0t5
 
Subject: Chemistry
,
Working Paper
, Title:

Coherent two dimensional electronic-X-ray spectroscopy

, Authors: Jasper J. van Thor
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-wgx96
 
Subject: Chemistry
,
Working Paper
, Title:

Instrument-agnostic Machine Learning Framework for Accurate Prediction of Functional Groups from Tandem Mass Spectrometry

, Authors: Connor Beveridge, Prageeth Wijewardhane, Matthew Muhoberac, Nicolas Morato, Andreas Kaerner, Li-Kang Zhang, Douglas Richardson, Ayanna Shoulds, Jeffrey Gilbert, Christopher Welch, Shane Tichy, Gaurav Chopra
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-px8nb
 
Subject: Chemistry
,
Working Paper
, Title:

Chiral Hydrogen-Bond Donor and Gold(I) Cocatalysis Enables Enantioselective Dearomative Spirocyclization of Naphthols

, Authors: Timur Adrianov, Eric N. Jacobsen
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-z94q0
 
Subject: Chemistry
,
Working Paper
, Title:

A Universal Optical Microanalysis Platform Based on Micropipette Tips

, Authors: Adem Ozcelik, Simona Clement, Nasrin Ghanbari Ghalehjoughi, Aishwarya Patel, Christopher Welsh, Aishani Gupta, Xuewei Wang
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-lwb3f
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Degradation of Per- and Polyfluoroalkyl Substances on Plasmonic Surfaces with Visible Light

, Authors: Qiang Xu, Bryan Wong
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-npllm
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Imaging of Cathode–Electrolyte Interphase in Sulfide Solid-State Batteries

, Authors: Lihong Zhao, Qiuyi Yuan, Chaoshan Wu, Takanori Itoh, Suusaku Ogiu, Takashi Sanada, Shohei Yamashita, Daisuke Shibata, Yan Yao
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-6k0kw
 
Subject: Chemistry
,
Working Paper
, Title:

Anion Composite Engineering of Spontaneous Perovskite Passivators for Energy Alignment Modulations in Perovskite Solar Cells

, Authors: Naoyuki Nishimura, Hiroaki Tachibana, Takurou N. Murakami
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-jrw99
 
Subject: Chemistry
,
Working Paper
, Title:

Unravel hidden symmetry breaking in racemic compounds

, Authors: Weihao Wang, Fangyi Chen, Shaodong Zhang, zhenghong Chen, Yutong Sun
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-zrf41
 
Subject: Chemistry
,
Working Paper
, Title:

One-pot synthesis of functionalised coumarin fluorophores enables rapid access to live cell bioorthogonal labelling and microenvironmental sensing agents

, Authors: Pramsak Patawanich, Max Bedding, William Ryder, Richard Payne, Elizabeth New, Liam Adair
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-hh2j6
 
Subject: Chemistry
,
Working Paper
, Title:

Functional -PO2-mediated asymmetric CuN3 Site Enabled Synergistic Acetylene Hydrochlorination

, Authors: chaofeng huang, Junchen Peng, Yue Xin, Dandan Dong, Zhongyuan Guo, Xiaopeng Yu, Qinqin Wang, Yusheng Lu, Fangjie Lu, Bao Wang, Yang Hong, Fei He, Bin Dai
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-25b0n
 
Subject: Mathematics
,
Working Paper
, Title:

Extended spectral breakdown theory and catastrophe theory.

, Authors: Ndoubahidi Ebenezer Mbaïassem
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.33774/coe-2025-drhbn
 
Subject: Computer Science
,
Working Paper
, Title:

Reducibility of 3CNF Formulas

, Authors: Latif Salum
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.33774/coe-2025-l7gm7
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Seeding Perceptions: Modern Influence Operations in Global Security

, Authors: Eton Chan
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.33774/apsa-2025-jxzm3
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Democratic Tendency Index (DTI): A Normative Framework for Signaling Democratic Decline through the Education–Internal Security Balance

, Authors: Rakbir Hasan
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.33774/apsa-2025-m47xq
 
Subject: Politics and International Relations
,
Poster
, Title:

In Government We Trust?: Spatializing Public Support for Government Spending

, Authors: Kristina Wright
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.33774/apsa-2025-1n7m3
 
Subject: Chemistry
,
Working Paper
, Title:

ELECTRUM: An Electron Configuration-based Universal Metal Fingerprint for Transition Metal Compounds

, Authors: Angelo Frei, Markus Orsi
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2024-vqktn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

[3 + 2] Cycloaddition of (Diazomethyl)dimethylphosphine Oxide and Aryldiazonium Salts

, Authors: Ilona Tarasiuk, Evgeniy Y. Slobodyanyuk, Dmytro O. Sibgatulin, Oleksandr O. Grygorenko
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-sx9s4
 
Subject: Chemistry
,
Working Paper
, Title:

An investigation of the physical and chemical changes of Pd nanoparticles on carbon supports in response to the release of hydrogen from aqueous formate solutions

, Authors: Mi Yeon Byun, Thuy Le, Nicholas Strange, Hyoju Park, Libor Kovarik, Tom Autrey, Mark Bowden
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-bp7sd
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate Prediction of Drug Resistance for Intrinsically Disordered Protein Regions

, Authors: Audrius Kalpokas, Mark Mackey, Julien Michel
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-brzks
 
Subject: Chemistry
,
Working Paper
, Title:

Synchronized Aromaticity Enables Facile Syntheses of 2,4-Cyclohexadienones via [3+2]/[3,3]-Cascade Reaction

, Authors: William Carrick, Michael Eng, Shubin Liu, Jeffrey Johnson
Version undefined posted 25 September 2025
Posted
Sep 25, 2025
10.26434/chemrxiv-2025-03n3p
 
Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

Towards Closed-Loop Neuromodulation: AI Prediction of Ventricular Tachyarrhythmias from Multimodal Biosignals in a Porcine Ischemia Model

, Authors: Ali Bahrami Rad, Yuki Kuwabara, SIAMAK SALAVATIAN
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.33774/coe-2025-fs2vw
 
Subject: Chemistry
,
Working Paper
, Title:

Soil carbon assimilation effectively constrains carbon-cycle model forecasting

, Authors: Qianyu Li, Dongchen Zhang, Alexis Helgeson, Michael Dietze, Shawn Serbin
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-ppdjv
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalyzed Radical-Polar Crossover Ring-Expansion of alpha-Ketosulfonylaziridines: Ready Access to delta-Sultams.

, Authors: Marco M. Mastandrea, Stefania Perulli, Vittoria Martini, Ludovica Primitivo, Leijie Zhou Leijie Zhou, Miquel A. Pericàs, Olga Garcia Mancheno
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-mfkrt
 
Subject: Chemistry
,
Working Paper
, Title:

Analytical Characterization Approaches to Measure Prebiotic-Synthesis Products in Salty Environments

, Authors: Maria Herrero Perez, Jacob Shelley, Robert Cody, Karyn Rogers
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-53k2c
 
Subject: Chemistry
,
Working Paper
, Title:

Simple conjugation of strained alkynes and fluorescent dyes

, Authors: Will Scott, Richard Knighton, Mohan Balasubramanian, Martin Wills
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-h6sfb
 
Subject: Chemistry
,
Working Paper
, Title:

De novo multicomponent assembly of diarylamines via photoredox/nickel dual catalysis

, Authors: Zhehui Xu, Ruimeng Ma, Qi Li, Gang Li, Jianyang Dong, Tengfei Kang, Dong Xue
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-5r47f
 
Subject: Chemistry
,
Working Paper
, Title:

Diffusion–Model–Driven Discovery of Ferroelectrics for Photocurrent Applications

, Authors: Byung Chul Yeo, Sungwoo Kang, Jung-Hoon Lee
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-qrm65
 
Subject: Chemistry
,
Working Paper
, Title:

Metal-Ion-Modulated Stabilization of Intermediates in Diphenylalanine and Phenylalanine Self-Assembly: Role of Metal-Ion-Specific Salt Bridge and Hydrophobic Interactions

, Authors: Anjan Chakraborty, Priyanka Nath, Suman Choudhary, Huma Tabassum, Naveen Kumar, Sheetal Leva, Avijit Maity, Debanjan Bagchi
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-95f11
 
Subject: Chemistry
,
Working Paper
, Title:

H-Bond, Strain-Release Guided Photoreaction of Alkenes, p-Quinone Methides and Ammonium Thiocyanate

, Authors: Jobsy Jose, Arun Yadav, Sathish Kumar Mudedla, CHANDRA BHUSHAN TRIPATHI
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-whr4z
 
Subject: Chemistry
,
Working Paper
, Title:

Magnetic Fishing: A pH-Responsive "Capture and Release" Strategy for Up-Concentrating Exfoliated 2D Nanosheets in Water

, Authors: Sohel Reja
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-mj655-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Silyl Dienol Ethers via Peterson Olefination of Siloxyallylpotassium Species

, Authors: Masahiro Sai
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-5xsl9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Probing the stability window of electrodeposited MnO2 for the acidic oxygen evolution reaction

, Authors: Raquel Aymerich Armengol, Lau Morten Kaas, Alexander Juul Nielsen, Feng Wu, Alba Bech Larsen, Marika Birkedal Norby, Andrea M. Mingers, Siyuan Zhang, Christian Danvad Damsgaard, Stig Helveg, Jakob Kibsgaard, Peter Christian Kjærgaard Vesborg
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-w9lhv
 
Subject: Chemistry
,
Working Paper
, Title:

Cr-LiF as a High Energy Density Conversion-Type Cathode for Li-ion Solid-State Batteries

, Authors: Joel Casella, Jędrzej Morzy, Vittorio Montanelli, Felix C. Mocanu, Arnold Müller, Moritz H. Futscher, Marta D. Rossell, M. Saiful Islam, Maksym Yarema, Yaroslav Romanyuk
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-thlxs
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical and Mechanical Evolution of Sulfide-Based Solid Electrolytes: Insights from Operando XPS and Cell Pressure Measurements

, Authors: Valerie Siller, Linfeng Xu, Laurent Castro, Aurélie Guéguen, Mario El Kazzi
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-spbvc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

SlaKoNet: A Unified Slater-Koster Tight-Binding Framework Using Neural Network Infrastructure for the Periodic Table

, Authors: Kamal Choudhary
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-4vjr9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering the molecular mechanisms of phosphoester bond formation in abiotic conditions with reactive neural network potentials

, Authors: Zakarya Benayad, Rolf David, Guillaume Stirnemann
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-kbbj5
 
Subject: Chemistry
,
Working Paper
, Title:

Integrating Ion Mobility–Resolved Tandem Mass Spectrometry and Microcrystal Electron Diffraction for Structural Elucidation

, Authors: Aleyna Lumsden, Amalia-Sofia Piticari, Amar Rai, Zhiyuan Ding, Stefan Lohmann, Siyu Liu, Zoltán Takáts, Adam Nelson, Angus Kirkland, Marcus Gallagher-Jones, Bela Paizs
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-l6zz7
 
Subject: Chemistry
,
Review
, Title:

Continuous-Flow Hydrothermal Synthesis (CFHS) of Mg-doped Co3O4 Nanocubes under Supercritical Conditions

, Authors: Anh Binh Ngo, Frank Girgsdies, Xuan Quy Tran, Liseth Duarte-Correa, Olaf Timpe, Thomas Lunkenbein, Annette Trunschke
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-2m8pv
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Dynamics Simulations Reveal Ultrafast and Coherent Charge Transfer in the Lhca4 antenna of Photosystem I

, Authors: Piermarco Saraceno, Fabrizio Santoro, Lorenzo Cupellini
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-3mpnq
 
Subject: Chemistry
,
Working Paper
, Title:

X-ray absorption spectroscopy of a coordinatively unsaturated 3d transition metal complex

, Authors: Meiyuan Guo, Timo Dederichs, Lucia Enzmann, Ambar Banerjee, Vicente Zamudio-Bayer, Marcus Lundberg, Philippe Wernet, Raphael M. Jay
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-qsdv0
 
Subject: Chemistry
,
Review
, Title:

Guidelines for robust and reproducible point defect simulations in crystals

, Authors: Alexander G. Squires, Seán Kavanagh, Aron Walsh, David Scanlon
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-3lb5k
 
Subject: Chemistry
,
Working Paper
, Title:

Decoding the Oxylipin Chemical Space using Ion Identity Molecular Networking

, Authors: Sandra M. Camunas-Alberca, Francesco Bartolini, Hana Cermakova, Ángel Sánchez-Illana, David Pérez Guaita, Pablo Cañadas-Miquel, Alberto Gil-de-la-Fuente, Jean-Marie Galano, Thierry Durand, Ana Gradillas, Coral Barbas
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-jx9cb
 
Subject: Chemistry
,
Working Paper
, Title:

Bicarbonate/carbonate speciation in NaHCO3 frozen solutions studied by low-temperature 13C solid-state NMR

, Authors: Trevys Chanal, Ieva Goldberga, Tristan Georges, Samuel Cousin, Guillaume Laurent, Thierry Azaïs
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-k46j1
 
Subject: Chemistry
,
Working Paper
, Title:

Breaking of the Up-Down Symmetry of DNA Origami on a Solid Substrate

, Authors: Gangamallaiah Velpula, Emilia Tomm, Boxuan Shen, Kunal Mali, Adrian Keller, Steven De Feyter
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-7rsnz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Highly active hydrogen evolution reaction (HER) catalysts formed by energetic Ptn cluster deposition: Deposition dynamics and the HER mechanism

, Authors: Tsugunosuke Masubuchi, Pavel Rublev, Yulan Han, Paulo Perez, Matthew Boebinger, Hwang Sooyeon, Lokesh Saravanan, David Belnap, Anastassia Alexandrova, Scott Anderson
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-55h1g-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Interpretable Machine Learning-based Automated HPLC/MS2 Platform

, Authors: Armen Beck, Ruth Anyaeche, Prageeth Wijewardhane, Sanjay Iyer, Yue Fu, Judy Liu, Jifa Zhang, Kawthar Alzarieni, Erlu Feng, Ryan Hilger, Christopher Welch, Hilkka Kenttämaa, Gaurav Chopra
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-qdpc8
 
Subject: Chemistry
,
Working Paper
, Title:

Upside-down Logic in Plithogenic Fuzzy Molecular Graph

, Authors: Takaaki Fujita
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-sm2br
 
Subject: Chemistry
,
Working Paper
, Title:

Direct infusion acoustic droplet ejection mass spectrometry (diADE-MS): enabling high-throughput shotgun lipidomics

, Authors: Yu Zhang, Amy Harms, Lucas Jurado-Fasoli, Jonatan Ruiz, Nicolas Drouin, Thomas Hankemeier
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-827f9-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanochemical Route to High-Entropy 3D Halide Perovskites with Photoelectrocatalytic Activity

, Authors: Katherine Jejen, Gonzalo Escobar, Zeyu Wang, Ji-Sang Park, Florencio Santos, Sergio Marras, Mirko Prato, Giorgio Divitini, Enrique Ortí, Joaquín Calbo, Francisco Palazon
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-lbz9t
 
Subject: Chemistry
,
Working Paper
, Title:

Modulation of the lipid membrane’s tension response by cis-trans isomerism of incorporated fatty acids

, Authors: Miguel Paez-Perez, Christian Lorenz, Nicholas Brooks, Marina Kuimova
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-8p0lt
 
Subject: Chemistry
,
Working Paper
, Title:

Data-Driven Approach towards the Quantification of Gases in Complex Mixture using non-selective single Metal Oxide Gas Sensor

, Authors: Savio K. T., Amisha Mishra, Aniket K. Pandey, Shivam Singh, Sajana S, Chandranath Adak, Rajendra Prasad Shukla, Vinayak Kamble
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-2k6fw
 
Subject: Chemistry
,
Working Paper
, Title:

Universal progression of structure and dynamics in colloidal nanocrystal gels during salt-accelerated aging

, Authors: Charles Kofi Ofosu, Diana Conrad, William Brackett, Dingwen Qian, Tsung-Lun Lee, Jiho Kang, Jinny Choi, Anna Bessmertnaya, Jessica Oberlander, Allison Green, Felix Lehmkühler, Andrei Fluerasu, Eric Anslyn, Thomas Truskett, Delia Milliron
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-jbb5x
 
Subject: Chemistry
,
Working Paper
, Title:

Analytical nuclear gradients for second-order Møller-Plesset perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals

, Authors: Manami Hayashi, Masaaki Saitow, Takeshi Yanai
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-sp245
 
Subject: Chemistry
,
Working Paper
, Title:

Photoswitchable Wnt Pathway Agonists: Molecular Docking and Dynamics Reveal Selective Binding of cis-Isomer to Frizzled Receptors

, Authors: Said Byadi, Pavel Sidorov, P.K Hashim
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-vf9kn
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Charge Distribution as a Key Driver of Catalytic Reactivity in an Artificial Metalloenzyme

, Authors: David Kastner, Linda Leone, Clorice Reinhardt, Husain Adamji, Melissa Manetsch, Alessandra Esposito, Flavia Nastri, Yuriy Roman-Leshkov, Angela Lombardi, Heather Kulik
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2024-xhlgh-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Simulations enabled by machine learning potentials predict sulfide solid electrolyte with covalent network structure and glassy behavior

, Authors: Gavin Winter, Nathan Walemba, Rafael Gómez-Bombarelli
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2024-w0d0p-v2
 
Subject: Chemistry
,
Working Paper
, Title:

RIGR: Resonance Invariant Graph Representation for Molecular Property Prediction

, Authors: Akshat Shirish Zalte, Hao-Wei Pang, Anna C. Doner, William H. Green
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-qgfxp-v2
 
Subject: Chemistry
,
Working Paper
, Title:

On the reliability of Vegard’s law in compositional analysis of chemical vapor deposited AlxTi1-xN

, Authors: Pamburayi Mpofu, Tommy Larsson, Oscar Alm, Jonas Lauridsen, Kenichiro Mizohata, Ben Spencer, Hans Högberg, Kostas Sarakinos, Henrik Pedersen
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-8n5f2
 
Subject: Chemistry
,
Working Paper
, Title:

Digital Immunoassay for Sensitive Quantification of Blood Biomarkers using Solid-State Nanopores

, Authors: Liqun He, Breeana Elliott, Philipp Mensing, Kyle Briggs, Michel Godin, Jonathan Flax, James McGrath, Vincent Tabard-Cossa
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-zth1z
 
Subject: Chemistry
,
Working Paper
, Title:

Chemoselective Sulfonyl Fluoride Exchange (SuFEx)-Induced Macrocyclization of Tyrosine-Containing Peptides in Aqueous Media

, Authors: Hassan Seyrani, Hossein Heidarzadeh Vazifehkhorani, Victor Outlaw
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-3kf2t
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of (–)-Owerreine and (–)-Anhydrovobtusine

, Authors: In-Soo Myeong, Taylor Pinto, Mohammad Movassaghi
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-c9ql6
 
Subject: Chemistry
,
Working Paper
, Title:

Alkane Coordination by a Neutral, Lewis Acidic Magnesium Complex

, Authors: Jeremy C Mullins, Matthew J Evans, Joseph M Parr, Dat T Nguyen, Alasdair I McKay, Thayalan Rajeshkumar, Ross O Piltz, Alison J Edwards, Laurent Maron, Cameron Jones
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-lv2xc
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Guided Optimization of SABRE Hyperpolarization for α-Ketoglutarate in Acetone-Water

, Authors: Erica Curran, Sina Sadeghi, Stephen McBride, Karl Mattsson, Megan Pike, Rielly Harrison, Mustapha Abdulmojeed, Franziska Theiss, Patrick TomHon, Eduard Chekmenev, Milad Abolhasani, Thomas Theis
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-62dkg
 
Subject: Chemistry
,
Working Paper
, Title:

Variational Quantum Simulation of Time-Local Quantum Master Equations via Quantum Jump

, Authors: Zhihao Lan, Jie liu, Zhenyu Li, Wanzhen Liang
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-fkmr7
 
Subject: Chemistry
,
Working Paper
, Title:

More Accurate Binding Free Energy Prediction Using Protein Homology and Ligand-Based Transfer Learning

, Authors: Justin Purnomo, Caitlin Kim, Kunyang Sun, Yingze Wang, Teresa Head-Gordon
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-2v8j5
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery and Biosynthesis of FPP-Derived Non-Canonical C17 Terpenes from Pseudomonas Species

, Authors: Qing-Yin Pu, Xu-Hua Mo, Tilo Lübken, Manuel Einsiedler, Tobias Gulder
Version undefined posted 26 September 2025
Posted
Sep 26, 2025
10.26434/chemrxiv-2025-4n0cl
 
Subject: Chemistry
,
Working Paper
, Title:

REVOLUTION IN DIAMOND SYNTHESIS: A unified mechanism of diamond crystallogenesis in nature and in laboratory synthesis. The law of diamond crystallogenesis

, Authors: Volodymyr Kaplunenko, Mykola Kosinov
Version undefined posted 27 September 2025
Posted
Sep 27, 2025
10.33774/coe-2025-56869-v5
 
Subject: Mathematics
,
Working Paper
, Title:

Unified Analytic Solution of Polynomial Equations in Differential Algebraic Closure

, Authors: dongqi liu, shifa liu
Version undefined posted 27 September 2025
Posted
Sep 27, 2025
10.33774/coe-2025-w6gn4
 
Subject: Economics
,
Working Paper
, Title:

Econographics

, Authors: Jameson Estrada
Version undefined posted 27 September 2025
Posted
Sep 27, 2025
10.33774/coe-2025-thrlp
 
Subject: Statistics and Probability
,
Working Paper
, Title:

A Note on Payout Functions and Probabilities Related to Shin's Model

, Authors: Melis Kizildemir, Ertugrul Akin, Altug Alkan
Version undefined posted 28 September 2025
Posted
Sep 28, 2025
10.33774/coe-2025-v0d2n
 
Subject: Chemistry
,
Working Paper
, Title:

Design, Synthesis, Characterization, Evaluation Antimicrobial Evaluation of 2 – Amino Thiazole Based Lead Compound : Docking Analysis of Ortho and Meta Substituted Analogues

, Authors: Abhishek Dinesh Kumar, Anupama Murali, Afra T Aboobacker, Afiya Anhad, Shadiya C.K
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-pfwls
 
Subject: Chemistry
,
Working Paper
, Title:

TabPFN Opens New Avenues for Small-Data Tabular Learning in Drug Discovery

, Authors: Woruo Chen, Yao Tian, Youchao Deng, Dejun Jiang, Dongsheng Cao
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-szk5s
 
Subject: Chemistry
,
Working Paper
, Title:

Comparing the Evaporation Kinetics and Dried Morphologies of Particles Generated by Spray Dryers and Single-Particle Techniques

, Authors: Barnaby Miles, Lukesh Mahato, Rachael Miles, Emmanuelle Costard, Jewe Schroeder, Arend Dubbelboer, Jonathan Reid
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-rnd6t
 
Subject: Chemistry
,
Working Paper
, Title:

Atomistic investigation of thermophysical properties of actinide chlorides based molten salts via ab initio Molecular Dynamics and Polarizable Ion Model

, Authors: Maria Chiara Notarangelo, Julien Tranchida, Kateryna Goloviznina, Mariya Romanova, Emeric Bourasseau, Mathieu Salanne
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-d87bf
 
Subject: Chemistry
,
Working Paper
, Title:

Dissecting Reaction Paths with the Independent Gradient Model: The Case of a Key Reductive Elimination Step at Cobalt(IV)

, Authors: Sara Figueirêdo de Alcântara Morais,, Lucas Loir-Mongazon, Cornaton Yann, Eric Hénon, Jean-Pierre DJUKIC
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-c1zbs
 
Subject: Chemistry
,
Working Paper
, Title:

Establishing Doping Limits for ZnGa2O4 for Ultra Wide Bandgap Semiconductor Applications

, Authors: Romain Claes, Alexander G. Squires, David O. Scanlon
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-h3gsc
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Access to Supramolecular C–H Oxidation Catalysts via Convergent Synthesis

, Authors: Yiheng Lu, Konrad Tiefenbacher
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-djd5g
 
Subject: Chemistry
,
Working Paper
, Title:

2-Azabicyclo[3.2.0]heptane as a Bicyclic Isostere for Medicinal Chemistry: Synthesis and Physicochemical Characterization

, Authors: Danylo A. Nosyk, Serhii Yu. Lukyanenko, Dmytro S. Granat, Daniil Skrypnik, Valentyn Chigrinov, Oleksandr S. Liashuk, Svetlana V. Shishkina, Timur Savchenko, Oleksandr O. Yurchenko, Oleksandr O. Grygorenko
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-zb9zz
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerating Surface Reconstruction in Cobalt Carbodiimides through Structural Defects for Enhanced Oxygen Evolution

, Authors: Chong Huang, Carlos A. Triana, Bingquan Jia, Nanchen Dongfang, Rolf Erni, Daniel F. Abbott, Robin N. Dürr, Han Zhao, Victor Mougel, Marcella Iannuzzi, Greta R. Patzke
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-ln91s
 
Subject: Chemistry
,
Working Paper
, Title:

First Principles and Machine Learning-based Analysis of Sulfur Poisoning of High-Entropy Alloy Catalysts

, Authors: Gaurav Deshmukh, Madison Bird, Jeffrey Greeley
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-jsxvv
 
Subject: Chemistry
,
Review
, Title:

Evaluating the Potential of Thermal Catalysis for Environmental Methane Mitigation

, Authors: Aliki Marina Tsopelakou, Samuel Tomlinson, Tzia Ming Onn, Shaun Fitzgerald, Adam Boies
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-407h5
 
Subject: Chemistry
,
Working Paper
, Title:

Proline-Promoted Electrophilic Dichloromethylation of α-Enaminones via Stereochemically Gated Resolution

, Authors: Elihay Kuniavsky, Dvora Levy, Dmitry Tsvelikhovsky
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-02dzv
 
Subject: Chemistry
,
Working Paper
, Title:

Picomolar affinity fluoride binding by a neutral molecular receptor

, Authors: Junhong Li, Wenrui Lyu, Chen Dong, Jing Bai, Akshay J. Nair, Jack K. Clegg, Xin Wu
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-zsr8j
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Proton-Coupled Electron Transfer at a Metal-Semiconductor-Solution Interface

, Authors: Kai Cui, Karl S. Westendorff, Yuriy Román-Leshkov, Yogesh Surendranath, Sharon Hammes-Schiffer
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-txn31
 
Subject: Chemistry
,
Working Paper
, Title:

The Potential of Non-sewered Sanitation (NSS) in Urban Settings: Exploring Core Value Propositions across Global and Local Contexts

, Authors: Asifur Rahman, Jianan Feng, Vignesh Kala, Will O'Brien, Saumitra Rai, Johanna Arita Mendoza, Jeremy Guest, Roland Cusick
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-16tmw
 
Subject: Chemistry
,
Working Paper
, Title:

A Scalable Microservices Platform for Deploying Machine Learning Models in Drug Discovery and Beyond

, Authors: Steffen Hirte, Vincent-Alexander Scholz, Johannes Kirchmair
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.26434/chemrxiv-2025-thhkd
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Real-World Sanctioning of Stigmatized Political Preferences

, Authors: Amalia Alvarez-Benjumea, Vicente Valentim
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.33774/apsa-2025-pzh28
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Incongruent Suffrage

, Authors: Klaudia Wegschaider, Rainer Bauböck, Sebastián Umpierrez de Reguero
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.33774/apsa-2025-f6p70
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Effect of Humanitarian Intervention on States: A Political Perspective

, Authors: Sambith Manohar-Reddy
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.33774/apsa-2025-6psfn
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Problematising consent: reading first-person testimonies of faculty-student relationships

, Authors: Leyla Gimalieva, Qian Qian Ng
Version undefined posted 29 September 2025
Posted
Sep 29, 2025
10.33774/apsa-2025-qx8n6
 
Subject: Chemistry
,
Working Paper
, Title:

In(II) the Void: Mausolate Complexes of Divalent Diindium

, Authors: Jack Smart, Allen Oliver, Etienne LaPierre, David Berg, J. Scott McIndoe
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-zjr5s
 
Subject: Chemistry
,
Review
, Title:

Sustainable Synthesis of Acetylcholinesterase Reactivators: Can We Make Defense Chemistry Greener?

, Authors: Denys BONDAR
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-gs65g
 
Subject: Chemistry
,
Working Paper
, Title:

A Switchable Platform for Divergent Skeletal Editing of Bicyclo[1.1.0]butanes Enabled by Monoatomic O/N Insertion

, Authors: Jian Zhang, Ling Chen, Jun-Cheng Jin, Qi-Guo Zheng, Hanliang Zheng, Wei-Ping Deng
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-g73tl
 
Subject: Chemistry
,
Working Paper
, Title:

Neuro-Symbolic Hypothesis Engine: A Unified Architecture for Autonomous Scientific Hypothesis Generation

, Authors: Mahule Roy, Subhas Roy
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-vbwcm
 
Subject: Chemistry
,
Working Paper
, Title:

An Engineered Iron-Based MOF for siRNA Delivery Targeting Chemotherapy-Resistant Triple-Negative Breast Cancer

, Authors: Xin Ma, Qiye Xi, Fushan Sun, Yutong Li, Jean-Maurice Mallet, Mathilde Lepoitevin, Meng Yu, Christian Serre
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-3rsbr
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting Pesticide Vapour Pressures: The Power of Functional Groups

, Authors: Mark Heezen, Manuel Alcamí, Clemens Rauer, Freija De Vleeschouwer
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-8dxhg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

High-yield synthesis of Fe-NC electrocatalysts using Mg2+ templating and Schiff-base porous organic polymers

, Authors: Eliot Petitdemange, Jinjie Zhu, Angus Pedersen, Joseph Parker, S. Esmael Balaghi, Shaohua Li, Silvia Favero, José Ignacio Martínez, Sarah Haigh, Magda Titirici, Anna Fischer, Jesus Barrio
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-rsx2g-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Battery Imaging Library: Multi-length scale and multi-modal synchrotron and laboratory battery imaging data for all

, Authors: Ronan Docherty, Sam Riley, John D. Morley, Evangelos Papoutsellis, Antonia Diana Bobitan, Jack Donoghue, Katy Rankin, Fernando Alvarez Borges, Luis Salinas-Farran, Stefan Michalik, Alexander Liptak, Genoveva Burca, Pierre-Olivier Autran, Jon Wright, Winfried Kockelmann, Olof Gutowski, Ann-Christin Dippel, Martin von Zimmermann, Dorota Matras, Bartlomiej Winiarski, John Mangum, Donal Finegan, James A. Gott, Daniela Proprentner, Hongyang Dong, Chandramohan George, Andrew M. Beale, Simon D.M. Jacques, Samuel J. Cooper, Antonis Vamvakeros
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-sbp73
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel-Catalyzed Regioselective Three Component Cyclotrimerization of Vinyl Sulfones with Terminal Aromatic Alkynes

, Authors: Stephen M. Long, Emily L. Heller, Cody A. Tolliver, Brian S. Dolinar, Gregory B. Dudley, Brian V. Popp
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-jznfg
 
Subject: Chemistry
,
Working Paper
, Title:

Badapple 2.0: An Empirical Predictor of Compound Promiscuity, Updated, Modernized, and Enhanced for Explainability

, Authors: John Ringer, Christophe Lambert, Steven Bradfute, Cristian Bologa, Jeremy Yang
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-xr5h2
 
Subject: Chemistry
,
Working Paper
, Title:

A Durable Metal–Organic Framework with a Hydrophobic sp3-Carbon-Rich Nanospace Constructed from Flexible Medium-Sized Ring Ligands

, Authors: Junichi Usuba, Yhu Hijikata, Teppei Takahara, Shinpei Kusaka, Ryotaro Matsuda
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-w2dbg
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic structure perspective on cation and anion redox in Li2FeS2

, Authors: Yi-Ting Cheng, Eshaan S. Patheria, Colin T. Morrell, Nathan J. Szymanski, Kimberly A. See, Christopher J. Bartel
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-c0s26
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding the Propagation Step in a Photoredox Cycloaddition Chain Reaction

, Authors: Annemarie Lee, Nicole Oo, Henry Eaton, Cristabella Fortna, Lisa Fredin, John Swierk
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-f87zc
 
Subject: Chemistry
,
Working Paper
, Title:

Food for Thought: Analysis of Photosynthetic Pigments in the General Chemistry Laboratory

, Authors: Colin Clark, John Swierk
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-wrllt
 
Subject: Chemistry
,
Working Paper
, Title:

EDTA chelates from lithium to uranium surveyed by deposited data of crystal structures

, Authors: Daisuke Noguchi
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-cfghz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Thermophysical Property Prediction with Uncertainty Quantification using Group Contribution- Gaussian Process Regression

, Authors: Barnabas Agbodekhe, Montana Carlozo, Dinis Abranches, Kyla Jones, Alexander Dowling, Edward Maginn
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-n9gpr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Syndirella: Synthesis-directed fragment elaboration enables extensive binding site exploration beyond catalog compounds

, Authors: Kate K. Fieseler, Max Winokan, Joseph A. Morrone, Charlotte M. Deane, Frank von Delft, Warren Thompson
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-0jd39-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Solvophobic Effect-Driven C4-Selective Oxidation of Alkyl Substrates by a Macrocyclic Supramolecular Catalyst

, Authors: Kanstantsin Anisovich, Konrad Tiefenbacher
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-tm40m
 
Subject: Chemistry
,
Working Paper
, Title:

Decoupling Complex Cell Aging with Explainable Machine Learning: A Perspective

, Authors: Hemanth Neelgund Ramesh, Shijing Sun, Guozhong Cao
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-bkm2m
 
Subject: Chemistry
,
Working Paper
, Title:

Simple Lipid Amphiphiles Co-Assemble to Exhibit Growth into Non-Equilibrium Catalytic Vesicles that Generate Osmolytes to Demonstrate Self-Division and Eventually Decay

, Authors: Swagata Das, Dibyendu Das
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-v2spm
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning Nanostructure of Flame-made Palladium deposited on Cerium Oxide: Unveiling Pd Loading–Activity Relationships in Suzuki–Miyaura Cross-Coupling

, Authors: Pham Tung Van, Hirano Tomoyuki, Kamio Shintaro, Tanabe Eishi, Septiani Eka Lutfi, Cao Kiet Le Anh, Yamagishi Takehiro, Ogi Takashi
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-3fbsj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Novel Ga-S-Compounds as Potential Single-Source MOCVD Precursors

, Authors: Lukas Erlemeier, Markus Balmer, Stefan Renato Kachel, Robin Günkel, Leonard Neuhaus, Florian Münster, Kassandra Zoltner, Tigmanshu Sundriyal, Jürgen Belz, Kerstin Volz, J. Michael Gottfried, Carsten von Hänisch
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-0nfjv
 
Subject: Chemistry
,
Working Paper
, Title:

Differential Morphological and Physicochemical Responses of Polyvinyl Chloride and Polyamide-12 Micro- and Nanoplastics to Fenton Oxidation

, Authors: Justin Kidd, Dilara Hatinoglu, Kenneth Mensah, Lilia Ochoa, Khue Nguyen, Beizhan Yan, Nicole Fahrenfeld, Onur Apul, Phoebe Stapleton
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-xcs3q
 
Subject: Chemistry
,
Working Paper
, Title:

Orchestrated Endoplasmic Reticulum-directed Immunogenic Cell Death Enabled by Indole-derived Covalent Donor-acceptor Dyad via Triplet State Hydrogen Atom Transfer

, Authors: Kartikay Tyagi, Kusaji Pundlik Raul, V Venkatesh
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-l929m
 
Subject: Chemistry
,
Working Paper
, Title:

Pulsed Electrolysis Yields Dynamically Stable Active Copper Sites for Selective CO2 Reduction via Dissolution–Redeposition

, Authors: Blaž Tomc, Mitja Kostelec, Matic Plut, Primož Šket, Dušan Strmčnik, Marjan Bele, Nejc Hodnik
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-mptww
 
Subject: Chemistry
,
Working Paper
, Title:

Nanoscale heterogeneity in hybrid polymer-lipid membranes creates native-like environments for integral membrane proteins

, Authors: Clara Schlitter, Melanie König, Fabian Grünewald
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-c6hnf
 
Subject: Chemistry
,
Working Paper
, Title:

MC25: An Accurate Meta Pair-Density Functional for Multiconfiguration Pair-Density Functional Theory and Linearized Pair-Density Functional Theory

, Authors: Dayou Zhang, Younghwan Kim, Matthew Hennefarth, Laura Gagliardi, Donald Truhlar
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-n2c9l
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of structure on lattice vibrations in zirconium-based metal-organic frameworks

, Authors: Leila Abylgazina, Linda Feuerstein, Anna Maria Dominic, Stefan Kaskel, Inez M. Weidinger, Irena Senkovska
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-94x5p
 
Subject: Chemistry
,
Working Paper
, Title:

Epoxidation-enhanced charge-switch derivatization for rapid profiling of monounsaturated fatty acid isomers

, Authors: Sarah Hancock, Linda Garthwaite, Laura Choong, Iliya Dragutinovic, Jonathon Morris, Nigel Turner
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-2bdg1
 
Subject: Chemistry
,
Working Paper
, Title:

Atomistic Understanding of Self-Healing of a Ferroelastic Crystal

, Authors: Zarif Fahim, Partick Commins, Liang Li, Pance Naumov, Qiang Zhu
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-z4cc0
 
Subject: Management
,
Presentation
, Title:

The Impact of Business Continuity Management in Human Resource Crisis owing to Israel's invasion of Iran.

, Authors: Kimiya Eghbalipour, Elaheh Abdi Langaan
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.33774/coe-2025-8lsm1
 
Subject: Earth and Environmental Sciences
,
Research summary
, Title:

Treatment of Temporary GHG Removals in Voluntary Carbon Markets

, Authors: Henning Zschietzschmann, Jennifer Hawkin, Jonathan P. Rosser, Mala Virdee, Harriet Hunnable
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.33774/coe-2025-5sbl5
 
Subject: Chemistry
,
Working Paper
, Title:

ChemRefine: An open-source automated and interoperable platform for machine learning and quantum chemistry simulations

, Authors: Ignacio Migliaro, Markus G. S. Weiss, Alistair J. Sterling
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-cvg1x
 
Subject: Economics
,
Working Paper
, Title:

JOB Labor Market Card Game

, Authors: Jameson Estrada
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.33774/coe-2025-m1dn8
 
Subject: Economics
,
Presentation
, Title:

Fundamentals of Marketing

, Authors: Jameson Estrada
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.33774/coe-2025-mj2d0
 
Subject: Chemistry
,
Working Paper
, Title:

Mo(CO)₃(cht) as an air-stable precatalyst for highly Z-selective one-bond isomerization of terminal alkenes

, Authors: Hashini Fransiscus, Victoria Loucks, Graham Dobereiner
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-8rmvt
 
Subject: Chemistry
,
Working Paper
, Title:

Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization

, Authors: Shoma Ito, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yuji Okamoto, Masataka Kuroda, Hitoshi Kawashima, Reiko Watanabe, Tomoki Yonezawa, Takaaki Sumiyoshi, Kazuyoshi Ikeda, Kenji Mizuguchi, Hiroaki Iwata, Yasushi Okuno
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-ls77r-v2
 
Subject: Chemistry
,
Review
, Title:

Droplet Microfluidics in the Antibiotic Discovery Pipeline: From Microbial Ecology to Resistance Mechanisms

, Authors: Hassan Barakat, Makenzie Bolton, Jingjing Cheng, Xiangpeng Li
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-6lfdz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An approximate method for exploring nonradiative decay pathways from highly excited states of lanthanide complexes: application to luminescent cerium complexes

, Authors: Soshi Ikuta, Taichi Inagaki, Miho Hatanaka
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-t09gz
 
Subject: Chemistry
,
Working Paper
, Title:

Intramolecular FRET Cascades Enable Small Efficiency Roll-off in Solution-Processed OLEDs

, Authors: Mahni Fatahi, Debasish Barman, Youichi Tsuchiya, Chihaya Adachi, Eli Zysman-Colman
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-xlnbw
 
Subject: Chemistry
,
Working Paper
, Title:

B-N Fused Anthracene as Functional Linker for π-Extended Viologens: Near-IR Emission and Electrochromism

, Authors: Rajendra Prasad Nandi, Jingyao Zuo, Frieder Jaekle
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-vczr2
 
Subject: Chemistry
,
Working Paper
, Title:

Copper-Mediated N-Trifluoromethylation of Alkylamines via an In Situ Oxidative Pathway: Controlling the Ambident Electrophilicity of N-Chloramines

, Authors: Alexandre Touron, Uros Todorovic, Laurent Sévery, R. Martin Romero, Maxime Tricoire, Thibault Cantat, Emmanuel Nicolas, Lucile Anthore-Dalion
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-lcll1
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond electrostatic screening: Effect of ion pairing on acid-base equilibria in complex electrolyte solutions

, Authors: Varun Mandalaparthy, Johannes Hunger, Mischa Bonn, Nico F. A. van der Vegt
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-p2chl
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemically tuned crystal tectonics in crack-resistant textured oxide cathode films for electrochemical energy storage

, Authors: Arghya Patra, Michael Caple, Peilin Lu, Gaurav Singhal, Beniamin Zahiri, Paul Braun
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-hl1l6
 
Subject: Chemistry
,
Working Paper
, Title:

Stability of Heteroaromatic Sulfonyl Chlorides and Fluorides

, Authors: Oleksandr I. Shevchuk, Bohdan V. Vashchenko, Illia O. Doroshenko, Kateryna O. Stepannikova, Vasyl Yu. Hys, Oleksandr V. Karpenko, Oleksandr P. Kozachenko, Artem Yu. Cherepakha, Andrii Kozytskyi, Kateryna A. Tolmachova, Serhii Zhersh, Andriy O. Tolmachov, Oleksandr Grygorenko
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-p0mgm
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of triangular macrocyclic gold complex composed of winding vine-shaped biphenyl with molecular asymmetry

, Authors: Mia Ota, Kentaro Okano, Tomohito Ide, Masaki Horie, Atsunori Mori
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-07lvc
 
Subject: Chemistry
,
Working Paper
, Title:

Interception of a Uranium Alkyl – Carbene Complex Utilizing a Bulky Phosphaylide

, Authors: Frank MacGregor, Armando Baca, Alejandro Metta-Magaña, Skye Fortier
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-6bgts
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Prediction: Mechanistic Elucidation of Molecular Drivers for Aqueous Solubility Using Interpretable Machine Learning

, Authors: Ali Afshari
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-xq8v3
 
Subject: Chemistry
,
Working Paper
, Title:

Characterization of butter and margarine oil composition using benchtop NMR and FTIR: A comparative study of products from Uzbekistan and Denmark

, Authors: Umrbek Mavlanov, Tomasz Pawel Czaja, Sardorjon Shukurov Salimovich, Sarvar Khodjaev, Bekzod Khakimov
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-fpgkw
 
Subject: Chemistry
,
Working Paper
, Title:

Paramagnetic Properties of Rare Earth Hydroxides, Oxalates, and Dibutyl Phosphates

, Authors: Qingpu Wang, Hyoju Park, Andrew Ritchhart, Brady Anderson, Manh-Thuong Nguyen, Alexander Robinson, Dongsheng Li, Elias Nakouzi
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-b0qh5
 
Subject: Chemistry
,
Working Paper
, Title:

Deaminative contraction for the preparation of substituted phenanthrenes

, Authors: Chelsea Valiton, Wilder Dalton, Alena Vu, Andrew Roberts
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-mg2pc
 
Subject: Chemistry
,
Working Paper
, Title:

In Silico discovery and design of molecular glues as a new strategy for development of non-peptidic, small-molecule agonists of GLP-1 receptor

, Authors: Liang Tang, Haiyan Zhao
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-k2gjf
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating Mechanical Properties Through Defect Chemistry in Hard Binary Phosphide Material Ta3P

, Authors: Emil Jaffal, Danila Shiryaev, Balaranjan Selvaratnam, Anton Oliynyk
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-xfj58
 
Subject: Chemistry
,
Working Paper
, Title:

Coiled 2D molecular layers for light-driven H2 evolution: Spiral winding meets Langmuir technique

, Authors: Sarah Jasmin Finkelmeyer, Konrad Hotzel, Charlotte Mankel, Daniel Blaschke, Anna Elmanova, Dennis Lafeld, Andrea Dellith, Marco Diegel, Zekai Ye, Stefan Zechel, Martin D. Hager, Heidemarie Krüger, Stefanie Gräfe, Ulrich S. Schubert, Kalina Peneva, Martin Presselt
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-f4n2t
 
Subject: Chemistry
,
Working Paper
, Title:

Nationwide Sustainability Assessment of PFAS Treatment in U.S. Water Utilities

, Authors: Md. Moshiur Rahman Tushar, Zaki Alam Pushan, Christopher Sutton Page, Nirupam Aich, Lewis Rowles
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-2kfbn
 
Subject: Chemistry
,
Working Paper
, Title:

Experimental mechanistic studies on alternating polarity electrolysis for carbon-centered radical generation

, Authors: Jake Evans, Enqi Feng, Jessica Zhong, Griffin Stewart, Christian Malapit
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-0m7pk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electrolyte-Dependent, “Microscopically Irreversible” H-atom Transfer Kinetics of Ce-Based Metal-Organic Framework, Ce-MOF-808

, Authors: Miguel Liuzzi-Vaamonde, Zaheer Masood, Bin Wang, Nikolay Tkachenko, Hyunho Noh
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-ptrnh
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Dynamics Study of Ions at Surface Nanobubble Interface: Adsorption Without Gas Retention

, Authors: BINU VARGHESE, Hareesh Suresh, Sarith P Sathian
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-n40j7
 
Subject: Chemistry
,
Working Paper
, Title:

Cavity-Based In Silico Screening and Interaction Profiling of Plant Phytochemicals Reveals Multi-Target Binding to Key Alzheimer’s Disease Proteins

, Authors: Yathu Krishna Y K, Fathima Ali, Devananda M P, Alfiyah P A, Nofa P H, Rana N, Naishana Najeeb
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-p00qn
 
Subject: Chemistry
,
Working Paper
, Title:

Implicating the Role of Enhanced Oxyl Attribute in Facilitating Exceptional C–H Activation by a [CoIII, IV2(μ-O)2] Diamond-Core Complex: A Theoretical Perspective.

, Authors: Rahul Sutradhar, Ishita Bhattacharjee, Ankan Paul
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-25zl1
 
Subject: Chemistry
,
Working Paper
, Title:

A rechargeable deuterium-ion battery

, Authors: Shizheng Fu, Zongyi Li, Xiaoxin Li, Guo-Ming Weng
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-62drw
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid FF Generation via Hessian-informed Initial Parameters and Automated Refinement

, Authors: Mikaela Farrugia, Paul Helquist, Per-Ola Norrby, Olaf Wiest
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-09l4t
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Insights into the Salt-Induced Modulation of Electron Transporting Conjugated Polyelectrolytes

, Authors: Huihang Qiu, Nicholas Jackson
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-xhnph
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Surface Interactions for High-Precision Placement of DNA Origami onto Nanoscale Lithographic Patterns

, Authors: Yichen Li, Yuanchuan Shao, Sierra Sterling, Melissa Goodlad, Yonggang Ke, Gaurav Arya, Tao Ye
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-hmxmg
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Acidic Second Coordination Spheres Promote in situ Formation of Iron Phlorins Exhibiting Fast and Selective CO2 Reduction

, Authors: Kaeden Teindl, Daniel Jacobs, Julien Panetier, Eva Nichols
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-5zzvb
 
Subject: Chemistry
,
Working Paper
, Title:

Orthogonal Cleavage of the HMPB Linker from Solid Support Using HFIP

, Authors: Michael Desgagné, Bradley L. Pentelute
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-qbjhg
 
Subject: Chemistry
,
Working Paper
, Title:

Reactivity of Nanoconfined Water is Modulated by the Properties of Confining Materials

, Authors: Saswata Dasgupta, Suman Saha, Francesco Paesani
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-4vmx6
 
Subject: Chemistry
,
Working Paper
, Title:

Data-Driven Recommendation of Optimal Tuning Scheme for Range-Separated Hybrid Functionals in Solution-Phase UV/vis Absorption Energy Prediction

, Authors: Fangning Ren, Pinyuan Li, Xu Chen, Lechen Dong, Fang Liu
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2025-8n2q3-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Transmembrane DNA Sequence Signaling via Hybridization

, Authors: Kai Yoshida, Ryusei Kawabe, Keita Abe, Yusuke Sato, Ibuki Kawamata, ken Komiya, Richard James Archer, Hideaki T. Matsubayashi, Shogo Hamada, Satoshi Murata, Shin-ichiro Nomura
Version undefined posted 30 September 2025
Posted
Sep 30, 2025
10.26434/chemrxiv-2024-571kp-v2
 
Complete Archive
2025
Jan
Feb
Mar
Apr
May
Jun
Jul
Aug
Sep
Oct
Nov
Dec
2024
Jan
Feb
Mar
Apr
May
Jun
Jul
Aug
Sep
Oct
Nov
Dec
2023
Jan
Feb
Mar
Apr
May
Jun
Jul
Aug
Sep
Oct
Nov
Dec
2022
Jan
Feb
Mar
Apr
May
Jun
Jul
Aug
Sep
Oct
Nov
Dec
2021
Jan
Feb
Mar
Apr
May
Jun
Jul
Aug
Sep
Oct
Nov
Dec
2020
Jan
Feb
Mar
Apr
May
Jun
Jul
Aug
Sep
Oct
Nov
Dec
2019
Jan
Feb
Mar
Apr
May
Jun
Jul
Aug
Sep
Oct
Nov
Dec