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Subject: Medicine (excluding clinical)
,
Working Paper
, Title:

Adults’ Knowledge, attitudes and willingness for Organ Donation in the Yemen: A Cross-Sectional Exploration

, Authors: Ehab Abdu, Ahood Mahjari, Ezzularab Alshobi
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.33774/coe-2025-w25nn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Counterion-Enabled Divergent Reactivity in Dinuclear Gold Photoredox Catalysis

, Authors: Mahesh Bhagwan Thoke, Anupam Das, Deep S. Kulkarni, Nitin T. Patil
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-8jh3b
 
Subject: Chemistry
,
Working Paper
, Title:

Two-state reaction path search using a quantum-Monte-Carlo-inspired approach

, Authors: Denis Tikhonov, Robin Santra
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-p9hk7
 
Subject: Chemistry
,
Working Paper
, Title:

AI-Driven Electrocatalysis: Adaptive Control of the Glycerol Oxidation Reaction via Reinforcement Learning

, Authors: Vladislav Mints, Kanyapat Plub-in, Maria-Magdalena Titirici, Anna Hankin, Ifan Stephens
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-kxg13
 
Subject: Chemistry
,
Working Paper
, Title:

A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases

, Authors: Maru Song, Giovanni Li Manni
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-7t6r0
 
Subject: Chemistry
,
Working Paper
, Title:

Deciphering the Synchronization of Alternating Current Frequency with the Nickel Catalytic Cycle in Selective C–N Cross-Coupling

, Authors: Atanu Hazra, Marisa Organiscak, Long Luo
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-37fbl
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetically guided exploration of photocatalytic reactions by combining automation with in situ measurements

, Authors: Michael Ringleb, Alexander Eith, Stefan Zechel, Ulrich Schubert, Kevin Jablonka, Jacob Schneidewind
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-s9txt
 
Subject: Chemistry
,
Working Paper
, Title:

RFdiffusion-peptides targeting Listeria prfA dimer-interfaces

, Authors: julio coll
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-p27lh
 
Subject: Chemistry
,
Working Paper
, Title:

Quantifying the Lewis Acidity of Mono-, Di-, and Trivalent Cations in Anhydrous Bis(trifluoromethylsulfonyl)imide Salts

, Authors: Davis Curry, Fynn Cooper, Natalie Lind, Colleen Thach, Celine Khalife, James Blakemore
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-2n8bq
 
Subject: Chemistry
,
Working Paper
, Title:

Benchmarking DFT Calculations for Adsorption Studies: Pharmaceuticals and Related Organic Molecules in Cation-exchanged Zeolites

, Authors: Sujon Kumar Mitro, Jakob Brauer, Michael Fischer
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-4prb2
 
Subject: Chemistry
,
Working Paper
, Title:

A Universal Model for Energy Level Alignment at Interfaces of Hole-Collecting Monolayers in p-i-n Perovskite Solar Cells

, Authors: Aruto Akatsuka, Minh Anh Truong, Atsushi Wakamiya, Gaurav Kapil, Shuzi Hayase, Hiroyuki Yoshida
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-s0bc9
 
Subject: Chemistry
,
Working Paper
, Title:

Fast-Track Remediation: N-Doped Carbon Derived from Banana Stem for Efficient Water Treatment

, Authors: Alibasha Akbar, Mihir Ghosh
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-p74jj
 
Subject: Chemistry
,
Working Paper
, Title:

In situ reconstruction of Ag-Ni2P on Ni foam as bifunctional electrocatalyst for acrylamide oxidation and hydrogen evolution

, Authors: Dan Zhang, Zeyi Zhang, Lingshen Meng, Carlos A. Triana, Shangkun Li, Hang Chen, Yiming Li, Greta R. Patzke
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-cmtz2
 
Subject: Chemistry
,
Working Paper
, Title:

Ultra-narrow donor-acceptor nanoribbons

, Authors: James Lawrence, Luka Đorđević, Fabienne Bachtiger, Harry Pinfold, Marc Walker, Jiong Lu, Gabriele Sosso, Davide Bonifazi, Giovanni Costantini
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-sxqcv
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Adaptive Niche Bias: An Adaptive Dynamics Perspective on the Anthropic Principle

, Authors: Serge Dolgikh
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.33774/coe-2025-pk0bx
 
Subject: Chemistry
,
Working Paper
, Title:

Large-Scale Modeling of Proton-Coupled Electron Transfer Based on Absolutely Localized Molecular Orbitals

, Authors: Lukas Lampe, Takeshi Yanai, Johannes Neugebauer
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-x6c3j
 
Subject: Chemistry
,
Working Paper
, Title:

Enzyme-Induced Nanocavity Formation in Leaf-shaped Zeolitic Imidazolate Frameworks for Functional Entrapment of Carbonic Anhydrase

, Authors: Sara Talebi Deylamani, Zsofia Bognar, Sune M. Christensen, Sonja Salmon, Stig Helveg, Joerg R. Jinschek
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-035z4
 
Subject: Chemistry
,
Working Paper
, Title:

Vertex Engineering of the Dodecaborate-Based Broadband Membrane Carriers

, Authors: Yueying Wang, Yessica Nelson, Daniel Torres Pomares, Cecilia McCormick, Tyler Kerr, Milan Gembicky, Alexander Spokoyny
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-93z1s
 
Subject: Chemistry
,
Working Paper
, Title:

Isotropic Proton Conduction in an Anisotropic Crystal: The Role of Molecular Rotational Dynamics in Imidazolium Dihydrogen Phosphate

, Authors: Shun Dekura, Motohiro Mizuno, Hatsumi Mori
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-vq0z9
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Trifluoromethylchlorosulfonylation of Alkenes via Copper-Mediated SO₂Cl Radical Transfer

, Authors: Sachini Rodrigo, Melanie Sanford, Long Luo
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-k60hb
 
Subject: Chemistry
,
Working Paper
, Title:

Purple Light-Promoted Ferrier Photobromination of O-Benzoylated Carbohydrates in Benzotrifluoride

, Authors: Guoqing Zhang, Nicholas W. See, Norbert Wimmer, Michael J. Godinez, Scott A. Cameron, Richard H. Furneaux, Vito Ferro
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-hcgb7
 
Subject: Chemistry
,
Working Paper
, Title:

Plutonium and other tetravalent metals complexed to a Keggin polyoxometalate

, Authors: Jenna Bustos, Ian Colliard, Vitalie Stavila, May Nyman, Gauthier Deblonde
Version undefined posted 01 August 2025
Posted
Aug 01, 2025
10.26434/chemrxiv-2025-sp58d
 
Subject: Chemistry
,
Working Paper
, Title:

A multiscale study to characterize SHAPE probe/ RNA molecules pre-reactive complex and its role in initiating the SHAPE reaction

, Authors: Cécilia Hognon, Ameni Ben Abdeljaoued, Pierre Hardouin, Mélanie Etheve-Quelquejeu, Bruno Sargueil, Damien Laage, Elisa Frezza
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-2thnz-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Bullvalene “Ball Joint” Fluxionality Modulates Mechanics and Dynamic Fragility in Polymer Glass

, Authors: Peiguan Sun, Matthew Golder
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-f3bsq
 
Subject: Chemistry
,
Working Paper
, Title:

ChemBERTa-3: An Open Source Training Framework for Chemical Foundation Models

, Authors: Riya Singh, Aryan Amit Barsainyan, Rida Irfan, Connor Joseph Amorin, Stewart He, Tony Davis, Arun Thiagarajan, Shiva Sankaran, Seyone Chithrananda, Walid Ahmad, Derek Jones, Kevin McLoughlin, Hyojin Kim, Anoushka Bhutani, Shreyas Vinaya Sathyanarayana, Venkat Viswanathan, Jonathan E. Allen, Bharath Ramsundar
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-4glrl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Integrating ultra-coarse-grained protein models into accessible workflows for multiscale molecular dynamics

, Authors: Bryce Tu Chi, Stephanie Fulcar, Jonathan Ipe, Olivia Schleifer, Rohan Subramanian, Claire Vlases, Naim Matasci, Konstantia Georgouli, Loïc Pottier, Tim Hsu, Timothy Carpenter, Dwight Nissley, Felice Lightstone, Frederick Streitz, Helgi Ingólfsson, Fikret Aydin
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-r4ws7
 
Subject: Chemistry
,
Working Paper
, Title:

Cement-on-a-chip: a microreactor for operando studies of the carbonation curing of cementitious materials

, Authors: Valentin Hérault, Eddy Foy, Émeline Charon, Gaëtan Touzé, Céline Cau Dit Coumes, Stéphane Poyet, Corinne Chevallard, Mark A. Levenstein
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-k90c5
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemically Driven Bromochlorination of Alkenes

, Authors: Chang-Hui Liu, Su-Yang Xu, Xue-Ting Li, Heng Liu, Hao Zheng, Qing-An Chen
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-csv1z
 
Subject: Chemistry
,
Working Paper
, Title:

MARPLE: A Proximity-Triggered CRISPR-Cas13 Platform for Ultrasensitive Antibody Detection

, Authors: Elena Spezzani, Luca Capelli, Denise Di Lena, Alejandro Chamorro-Garcia, Rudy Ippodrino, Alessandro Porchetta, Alessandro Bertucci
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-00sm2
 
Subject: Chemistry
,
Working Paper
, Title:

Stochastic-SplitGAS: A Quantum Monte Carlo Multi-Reference Perturbation Theory Based on the Imaginary-Time Evolution of Effective Hamiltonians

, Authors: Luca Bonfirraro, Oskar Weser, Maru Song, Giovanni Li Manni
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-hn9s6
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating Physics-Informed Neural Networks for Food Kinetic Modeling

, Authors: Yizhou Ma, Deniz Turan, Maarten Schutyser
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-t2r5k
 
Subject: Chemistry
,
Working Paper
, Title:

NORA: Non-adiabatic dynamics with force-field based Representation. Application to photoisomerization in biomimetic photoswitches.

, Authors: Raul Losantos, Giacomo Prampolini, Antonio Monari
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-10mrj
 
Subject: Chemistry
,
Working Paper
, Title:

Enabling efficient electron injection in stretchable OLED

, Authors: Wei Liu, Sihong Wang, Juan J. de Pablo, Cheng Zhang, Zhiming Zhang, Yang Li, Shinya Wai, Aikaterini Vriza, Yahao Dai, Glingna Wang, Yunfei Wang, Benjamin T. Diroll, Naisong Shan, Songsong Li, Du Chen, Peijun Guo, Chenhui Zhu, Jie Xu
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-f5tpt
 
Subject: Chemistry
,
Working Paper
, Title:

Reaction Mechanism and Axial Ligand Effects of C(sp3)–H Primary Amination by Unprotected Iron-Porphyrin-Nitrenoid

, Authors: Jing-yuan Zhuang, Yu Zhou, Lyu Zhen, Qiu Peng, Ting Wang, Gui-Juan Cheng
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-qghd4
 
Subject: Chemistry
,
Working Paper
, Title:

Technical treatments of Antioxidant Test with DPPH Method affecting IC50 value

, Authors: Muhammad Roy Asrori, Mailinda Ayu Hana Margaretha, Siti Khoirunnisa, Deni Ainur Rokhim, Suharti Suharti, Surjani Wonorahardjo
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-9bjzk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanically induced nickel catalyst activation in cross-coupling reactions via abrasion

, Authors: Thomas Hasiweder, Alec LaGrow, Luis Ono, Dilip Pandey, Aleksandr Sorvanov, Julia Khusnutdinova
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-61208
 
Subject: Chemistry
,
Working Paper
, Title:

Immune-induced antibody-DNA hybrid condensates

, Authors: Sara Scalia, Marco Cappa, Lorenzo Rovigatti, Erica Del Grosso, Francesco Ricci
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-d5h0s
 
Subject: Chemistry
,
Working Paper
, Title:

Invitro and Invivo Activity of Benzimidazole derivatives against Trypanosoma Congolense, design and synthesis

, Authors: Henok Abebe, Dagne Addisu, Getachew Terefe, Desie Shiferaw, Salah Sheriff
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-33k69
 
Subject: Chemistry
,
Working Paper
, Title:

On-Surface Synthesis of Porphyrin Nanoribbons via Cycloaromatization of Isopropyl Substituents on Au(111)

, Authors: Shenwei Chen, Haiwei Wang, Lixia Kang, Ran Chen, Zhaokun Wang, Suya Dai, Xiang Zhang, Yongjie Chen, Yucheng Song, Cunfeng Zheng, Zechao Yang, Zengfu Ou, Jin Li, Hongbing Ji
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-mhvdb
 
Subject: Chemistry
,
Working Paper
, Title:

Sorting by Proximity-Effect: Direct Ester to Ether Deoxygenation Using Fiddler Crab-Type Borane Catalysts

, Authors: Bence Balázs Mészáros, Ádám Dudás, András Preszner, Gábor Sztanó, Bálint Csesztregi, Csenge Horváth, Pál Szabó, János Daru, Tibor Soós
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-lnvc3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Underexplored Catalysts as General Structures: Application of Machine Learning Techniques for Reaction-Specific Datasets

, Authors: Jiajing Li, Isaiah Betinol, Junshan Lai, Soresu Juyo, Jolene Reid
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-wftzz
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Access to Acylboranes via Formal Condensation of Carboxylic Acids with Ligated Boranes

, Authors: Chen-Yan Cai, Chao Hu, Rohan Merchant, Tian Qin
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-jv72f
 
Subject: Chemistry
,
Working Paper
, Title:

Structural and Functional Role of Methylene Linkers in Self-Coacevate-Mediated Membrane Interaction and Antiviral Defense

, Authors: Nikesh Dewangan, Indrani Das Jana, Priyaraj Pal, Arindam Mondal, Pradip Kumar Tarafdar
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-s18q1
 
Subject: Chemistry
,
Working Paper
, Title:

Profiling Biological Effects of Microbiome Metabolites via Machine Learning

, Authors: Hong A. Chung, Zachary Fralish, Tiffany Tu, Daniel Reker
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-15mw9
 
Subject: Chemistry
,
Working Paper
, Title:

Janus-Faced Reactivity of Heterobimetallic Al–Zn Complexes

, Authors: Jake Hemsworth, Josef Tomeček, Avantika Hasija, George Whitehead, Nikolas Kaltsoyannis, David Mills, Darren Willcox
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-wzn23
 
Subject: Chemistry
,
Working Paper
, Title:

High-temperature CO2 capture by Li4SiO4: IR spectroscopic evidence for the double shell model.

, Authors: Hoda Al Assaad, Khedidja Messabih, Nadia Bendjaballah-Lalaoui, Youcef Boucheffa, Frédéric Thibault-Starzyk, Arnaud Travert
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-p1k9g
 
Subject: Chemistry
,
Working Paper
, Title:

A Click Chemistry Approach for Developing Organelle-Directed Photocytotoxic Ruthenium(II) Probes

, Authors: Creina Slator, Anna Ziemele, Sean Fitzgerald, Aoibhin A. Cullen, Conor Long, Mary T. Pryce, Vickie McKee, Andrew Kellett
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-q28nc-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Benzimidazolium Hydrogen Carbonate Salts–Investigation of Thermal Properties in the Context of Small Molecule Inhibitors

, Authors: Eden Goodwin, Jordan N. Bentley, Maram Bakiro, Mark Aloisio, Justin T. Lomax, Ishwar Singh, Alex J. Veinot, Ahmadreza Nezamzadeh, Paul Ragogna, Cathleen Crudden, Sean T. Barry
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-d12p7
 
Subject: Chemistry
,
Working Paper
, Title:

A continuous description of different means with application to mixing rules

, Authors: Uwe Hohm
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-zhrwr
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Transnational Propaganda and Ethnic Polarization: Experimental Evidence from Malaysia

, Authors: Jeremy Siow, Minh D. Trinh, Tony Zirui Yang
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.33774/apsa-2025-zqggn
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancing superexchange through frontier orbital engineering in a van der Waals metal-organic magnet

, Authors: Jem Pitcairn, Mario Antonio T. Ongkiko, Peter J. Speakman, Jeremiah P. Tidey, Jack Jordan, Graham N. Newton, J Ross Stewart, Pascal Manuel, Andrew J. Morris, Matthew J Cliffe
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-9z07g
 
Subject: Chemistry
,
Working Paper
, Title:

Magnetic Hysteresis at 31 K in a Four-Coordinate Dysprosium(III) Amide Complex

, Authors: Benjamin Réant, William Blackmore, John Seed, Meagan Oakley, Conrad Goodwin
Version undefined posted 04 August 2025
Posted
Aug 04, 2025
10.26434/chemrxiv-2025-m8q8l
 
Subject: Chemistry
,
Working Paper
, Title:

Building in-house libraries to use with the NIST/NIJ DART-MS Data Interpretation Tool

, Authors: Arun Moorthy, Christany Liggins, J. Tyler Davidson
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-5thd3
 
Subject: Chemistry
,
Working Paper
, Title:

Memory Function for Protein Diffusion

, Authors: Setare Sarhangi, Dmitry Matyushov
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-h7z76
 
Subject: Chemistry
,
Working Paper
, Title:

The surface chemistry of Au(111) and Au(100) electrodes under oxygen reduction and evolution potentials

, Authors: Kayvan Moradi, Marko Melander
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-13r9v-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Photoswitchable merocyanine-amphiphiles with programmable self-assembly times

, Authors: Man Him Chak, Laura Wimberger, Bailey Richardson, Natalie Newman, Emma M. V. Johansson, Jake P. Violi, Anna Sokolova, Hendrick Frisch, Felix Rizzuto, William A. Donald, Martina H. Stenzel, Joakim Andréasson, Jonathon Beves
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-qwl4n-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Leveraging Data-driven Approach for Sand Production Prediction and Management in Oil and Gas Wells

, Authors: Awwal Oladipupo, Isaac Johnson, Opeyemi Adebayo, Fashanu Theophilus, Kingsley Abhulimen
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-vvtwn-v4
 
Subject: Chemistry
,
Review
, Title:

Glioblastoma immunotherapy adjuvants for glial cell polarization reprogramming

, Authors: Jun Seo Park, Donggeon Lee, Dal-Hee Min, Sung Joong Lee
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-m0mdn
 
Subject: Chemistry
,
Working Paper
, Title:

Antioxidant testing using DPPH for Dadap leaves through without extraction stage

, Authors: Muhammad Roy Asrori, Mailinda Ayu Hana Margaretha, Siti Khoirunnisa, Achmad Dzulfikri Almufti Asyhar, Suharti Suharti, Surjani Wonorahardjo
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-m74cr
 
Subject: Chemistry
,
Working Paper
, Title:

Nucleophilic Addition of Sulfoxonium Ylides to Hypervalent Iodine Diazo Compounds as N-terminal Electrophiles: Direct Access to novel Functionalized Hydrazones

, Authors: Varun Anand, Ruchir Kant, NAMRATA RASTOGI
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-8tnnn
 
Subject: Chemistry
,
Working Paper
, Title:

Transforming Waste Polyvinyl chloride into Strong Adhesives at Near- ambient -Temperature

, Authors: Bo Feng, Yuehao Zhang, Xiaohui Liu, Yanqin Wang
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-jttmq
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient fine‑tuning of foundation atomistic models for reversible polymorphic phase transitions in organic molecular crystals

, Authors: Muyu Lu, Siyu Hu, Chengxi Zhao, Chen Wang, Weile Jia, Guangming Tan, Jun Jiang, Linjiang Chen
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-499st
 
Subject: Chemistry
,
Working Paper
, Title:

A density based machine learning force field for molecule-molecule nonbonded interactions

, Authors: Lin-Wang Wang
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-83grg
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating N2 Fixation Using A Bulky Fe(bisphosphine)2 Framework

, Authors: Andrew Crawford, Laurence Doyle, Samuel Horsewill, William Myers, Daniel Scott, Andrew Ashley
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-80g6n
 
Subject: Chemistry
,
Working Paper
, Title:

Synergistic Processes for Microstructure Engineering and Enhanced Dielectric Functionality in PVDF-based Systems

, Authors: Joulia Housseini, Florian Le Goupil, Kaili Xie, Georges Hadziioannou, Guillaume Fleury
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2024-rvf5l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Pore Network Tortuosity Controls Fast-Charging in Supercapacitors

, Authors: Thomas Kress, Xinyu Liu, Alexander Forse
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2024-rjgwd-v4
 
Subject: Chemistry
,
Working Paper
, Title:

SAMTI: Sampling Adaptive Thermodynamic Integration for Alchemical Free Energy Calculations

, Authors: Tai-Sung Lee, Omid Jahanmahin, Saikat Pal
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-mk6k4
 
Subject: Chemistry
,
Working Paper
, Title:

Generation of microstructured composite materials via aerosol conglomeration of polymer particles

, Authors: Luokun Zhang, S. Hessam M. Mehr
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-hzsnv
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanically Driven Bacteria‐Based Crack Detection

, Authors: Ellen van Wijngaarden, Tyrone Chen, Ilana Brito, Nikolaos Bouklas, Andrea Giometto, Meredith Silberstein
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-65njt
 
Subject: Chemistry
,
Working Paper
, Title:

Photo-crosslinked Thin Polymer Coatings: Post-cure Chemical Modification and Dewetting Studies

, Authors: Gregory Carroll, Hernan Rengifo, Jose Pelaez, Jeffrey Koberstein
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-mx2s3
 
Subject: Chemistry
,
Working Paper
, Title:

Molecule by Molecule Characterization of a Polymer Molecular Mass Distribution via Mass Photometry

, Authors: Rachel Czerwinski, Anna Clayborn, Andrew Boydston, Aaron Hoskins, Randall Goldsmith
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-qm3vv
 
Subject: Chemistry
,
Working Paper
, Title:

Prediction of thermal modulated comprehensive two-dimensional gas chromatographic separation using a modular, graph-based simulation platform

, Authors: Jan Leppert, Tillman Brehmer, Matthias Wüst
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-76xc0
 
Subject: Chemistry
,
Working Paper
, Title:

Electrolyte mixing in vanadium flow battery tanks: Effects on capacity utilization

, Authors: Pablo A. Prieto-Díaz, Ange A. Maurice, Marcos Vera
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-x8nmm
 
Subject: Chemistry
,
Working Paper
, Title:

Web-Based Molecular Docking Identifies Microbial Natural Products as Potential Dual Inhibitors of Host SARS-CoV-2 Entry Factors ACE2 and TMPRSS2

, Authors: Yathu Krishna Y K
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-vlnlp
 
Subject: Chemistry
,
Working Paper
, Title:

Protein Chirality as a Determinant of Ligand Affinity: Insights from L- and D-Streptavidin

, Authors: Riley J. Giesler, Peter C.S. Woodham, Steven R.E. Draper, Paul Spaltenstein, Frank G. Whitby, Christopher P. Hill, Michael S. Kay
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-20r8k
 
Subject: Mathematics
,
Working Paper
, Title:

The Superiority of Hilbert Arithmetic for Prime Number Theory: I Goldbach’s conjecture proved in Hilbert arithmetic

, Authors: Vasil Penchev
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.33774/coe-2025-0ctx8
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Beyond Borders: Exploring Data Embassies as a Strategy for Digital Sovereignty in Africa

, Authors: Samuel Frank Matinou, Isobel Acquah, Ridwan Oloyede, Arnold Joshua Kabatsi, Prasenjit Mitra, Conrad Tucker
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.33774/apsa-2025-8lqpt-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Ultrafast Transversal CISS Effect Observed in a Chiral Photoswitching Molecule

, Authors: Christopher Seibel, Jia Hao Soh, Shmuel Zilberg, Anna Krylov
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-1jsz7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Imine Reductase-Catalyzed, Radical-Mediated Asymmetric Cyano Group Migration

, Authors: An Liu, Yang Yang
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-8h8c2
 
Subject: Chemistry
,
Working Paper
, Title:

An Evolutionarily Conserved Protein Fold with Multiple Roles in Anthracycline Biosynthesis

, Authors: Hannah A. Boesger, Emma Fang, Ralph J. Harte, Arina Koroleva, Taylan Tunckanat, Sean J. Elliott, Mikko Metsä-Ketelä, Sean A. Newmister, David H. Sherman
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-5d9bd
 
Subject: Chemistry
,
Working Paper
, Title:

FF tags-SynbioDEL: Biosynthetic and Proteome Profiling-Guided Discovery of PHGDH Inhibitor from Reversible DNA-Encoded Libraries Selection Platform

, Authors: Yiwei Zhang, Yuqiu Lan, Rufeng Fan, Lei Feng, Guoliang Wang, Xinyuan Wu, Lulu Wen, Zhiqiang Duan, Yueyue Xia, Xudong Wang, Lu Zhou, Minjia Tan, Cangsong Liao, Xiaojie Lu
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-nln78
 
Subject: Chemistry
,
Working Paper
, Title:

Biocatalytic, Asymmetric Radical Hydrogenation of Unactivated Alkenes

, Authors: Jaicy Vallapurackal, Rajib Mandal, Justin Bossenbroek, Aris Rubio, Ethan Poladian, James Collings, Cesar Torres, Matthew Hendrickson, Julian Morales, Max Lyons, Kyle Schultz, Hannah Shafaat, Kendall Houk, Soumitra Athavale
Version undefined posted 05 August 2025
Posted
Aug 05, 2025
10.26434/chemrxiv-2025-92d97
 
Subject: Chemistry
,
Working Paper
, Title:

Stress Distribution and Scaling Laws for Optimized Fluid Flow in Tree-Like Networks with Triangular Cross-Sections

, Authors: Ashish Garg
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-dpptg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Integration of two trickle-bed reactors in series for enhanced biomethane production from syngas

, Authors: Adzajan Aruleeswaran, Muhammad Tahir Ashraf, Rowayda Ali, Lars Yde
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-5v2fm-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Durable, pure-water-fed, anion-exchange-membrane electrolyzers through interphase engineering

, Authors: Shujin Hou, Archana Sekar, Yang Zhao, Minkyoung Kwak, Juhyun Oh, Kelvin Kam-Yun Li, Peiyao Wu, Ryan T. Hannagan, Valeria Cartagena, Anthony C. Ekennia, Hui Duan, Michael J. Zachman, Joelle Frechette, Gregory M. Su, Balsu Lakshmanan, Yushan Yan, Thomas F. Jaramillo, Shannon W. Boettcher
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-2f2bq
 
Subject: Chemistry
,
Working Paper
, Title:

Platform for the synthesis and evaluation of verrucarol-based ribosome inhibitors

, Authors: Minh L. N. Tran, Tushar B. Raskar, Eugene D. Toth, Jiakai Zhang, Andrew K. Ecker, Seul Ki Yeon, Ethel Tackie-Yarboi, William F. Degrado, James Fraser, Ian Seiple
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-7n89p
 
Subject: Chemistry
,
Working Paper
, Title:

Amino Acid-Promoted Synthesis of 2H-Chromenes

, Authors: Nicolas Fay, Bastien Nay
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-tk1x6
 
Subject: Chemistry
,
Working Paper
, Title:

Differential Self-Assembly of Sequence-Isomeric Phosphoestamers

, Authors: James Williamson, Tomasz Piskorz, Bini Claringbold, Alexandra Paul, Nikita Harvey, Fernanda Duarte, Christopher Serpell
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-4m2l5
 
Subject: Chemistry
,
Working Paper
, Title:

Toxicity of Antisense Oligonucleotides is Determined by the Synergistic Interplay of Chemical Modifications and Nucleotide Sequences, Not by Either Factor Alone

, Authors: Jaspreet Bhamra, Mahati Krishna, George Samman, Sankha Pattanayak, Swagatam Mukhopadhyay
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-d2bhr
 
Subject: Chemistry
,
Working Paper
, Title:

Coordinate the DFT zoo with low-rank decomposition of GMTKN55 database

, Authors: Siyi Huang, Ruiqi Gao, Yixiao Chen, Pinchen Xie
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-s6wlp
 
Subject: Chemistry
,
Review
, Title:

Computational Catalysis and Machine Learning Applications to Water Treatment Technologies

, Authors: Duo Wang, Ao Xie, Shengcun Ma, Wei Tong, Shiqiang Zou, Anubhav Jain
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2024-9z8sg-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Organic–Inorganic Hybrid Solid Lubricants Based on 2D Silver Thiolate Coordination Polymers Featuring Precise Interlayers

, Authors: Ren Muramatsu, Hiroshi Eguchi, Kenji Nagata
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-t5whw-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Hierarchical Dynamics of Hydronium Ions in Polymer Electrolyte Membranes Revealed by All-Atom Molecular Dynamics Simulations

, Authors: Taketoshi KITAGAWA, Yusuke YASUDA, Tetsuro NAGAI, Kazushi FUJIMOTO
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-n7vwf
 
Subject: Chemistry
,
Working Paper
, Title:

Autonomous Determination of Hansen Solubility Parameters via Active Learning

, Authors: Sijie Fu, Daniel Wang, Harmanna Henderiks, Andre Nogueira Assis, James Charron, Newell Washburn
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-c7g4r
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalytic transformation of aliphatic heterocycles and electron-poor alkenes into functionalized heteroarenes

, Authors: Lorenzo Di Terlizzi, Davide Ravelli, Burkhard König
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-lfgh4
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling Heat Transfer Through π-Conjugated Molecules

, Authors: Igor Rončević, Iago M. Pozo, Lisa A. Schröder, Anthony W. Parker, Gregory M. Greetham, Harry L. Anderson
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-vrlpp
 
Subject: Chemistry
,
Review
, Title:

Function from complexity: chemical systems that achieve sensing using host-type molecules and complex equilibria

, Authors: Allison Selinger, Fraser Hof
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-k1hs8
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Protein Scaffold-Assisted C10-C35 Terpene Precursors Overproduction System for Efficient Biosynthesis Studies

, Authors: Lijun Liu, Xiaoyu Shi, Bao Chen, Fangyan Chen, Jinzhong Tian, Nisha He, Baofu Xu
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-b1wj2
 
Subject: Chemistry
,
Working Paper
, Title:

Distinct Hydrogen Atom Transfer and Radical Capture Reactivity of Copper(III) OH/F Complexes Enables Site-Selective C(sp3)-H 18F-Fluorination

, Authors: Joshua Queener, Angela Asor, Margaret Ball, Jinda Fang, Jinghua Tang, Shiyu Zhang
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-mq80b
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric Total Synthesis of (–)-Verrucarol

, Authors: John F. McCleerey Jr., Madison H. Powers, Jeffrey W. Bacon, James McNeely, John A. Porco Jr.
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-fmd1f
 
Subject: Chemistry
,
Review
, Title:

Online electrochemical mass spectrometry for sustainable aqueous batteries: progress and perspectives

, Authors: Leiting Zhang
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-4mdhs
 
Subject: Chemistry
,
Working Paper
, Title:

Modelling and mechanistic study of polyethylene chain cleavage during ball milling

, Authors: Tobias Morgen, Stefan Mecking, Ina Vollmer
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-nkf6j
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Drug Likeness Profiling and Chemical Space Analysis of Bioactive Microbial Secondary Metabolites via RDKit, PCA, and Tanimoto-Based Fingerprint Clustering

, Authors: Yathu Krishna Y K
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-qdp8w
 
Subject: Chemistry
,
Working Paper
, Title:

C−H Activation Initiated Skeletal Recasting of Cyclopropane Carboxylic Acid

, Authors: Suman Maji, Nitish Kumar Singh, Surajit Manna, Sourav Kabari, Rachit Singh Chauhan, Srimanta Guin, Puneet Gupta, Debabrata Maiti
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-g5pfs
 
Subject: Chemistry
,
Working Paper
, Title:

A Metallomics Strategy to Reveal Protein Targets of Auranofin through Direct and Indirect Detection of Gold–Protein Adducts

, Authors: Giovanni Chiappetta, Xhesika Limaj, Madeleine Frelon, Joelle Vinh
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-qgl69
 
Subject: Chemistry
,
Working Paper
, Title:

Nanoscale Visualization of Plasmon-Enhanced Hydrogen Activation on Pt(111) Surface

, Authors: Zhen-Feng Cai, Meghna Manae, Zi-Xi Tang, Jun-Xian Zhang, Yao Zhang, Jeremy Richardson, Naresh Kumar
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-w41qh
 
Subject: Chemistry
,
Working Paper
, Title:

Accurately predicting solubility curves via a thermodynamic cycle, machine learning, and solvent ensembles

, Authors: Emad Al lbrahim, Nathan Morgan, Simon Müller, Saikiran Motati, William Green
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-jd8zw
 
Subject: Chemistry
,
Working Paper
, Title:

Sulfation enabled dynamic activation and single-atom extraction forming Pt1-SO4 motif against SO2 poisoning

, Authors: Dongxia Wu, Qingqing Gu, Ruijie Zou, Jiangliang Hu, Weiren Bao, Liping Chang, Lina Li, Yongfeng Hu, Junjie Li, Aiqin Wang, Lei Li, Jiancheng Wang, Bing Yang, Tao Zhang
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-tdmfd
 
Subject: Chemistry
,
Working Paper
, Title:

Converging ab initio phonon simulations for organic molecular crystals: the effect of charge density grids and phonon dispersion sampling

, Authors: Mateusz Mojsak, Tahlia Palmer, Adam Michalchuk
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-g7xv0
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalyzed Hydrogen Atom Transfer Enables Multicomponent Olefin Oxo-Amidomethylation Under Aerobic Conditions

, Authors: Mattia Lepori, Dimitris Ioannou, Joshua Barham, Timothy Noel
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-whxc3
 
Subject: Chemistry
,
Working Paper
, Title:

SPACESHIP: synthesizable parameter acquisition via closed-loop exploration and self-directed, hardware-aware intelligent protocols for autonomous lab

, Authors: Nayeon Kim, Hyuk Jun Yoo, Daeho Kim, Heeseung Lee, Sang Soo Han
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-3lj65-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Orthogonal and reversible control of duplex DNA formation harnessing the self-sorting abilities of cucurbit[n]urils

, Authors: Hidenori Okamura, Takeyuki Yao, Yosuke Taniguchi, Fumi Nagatsugi
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-9qx61
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand Effects on the Ultrafast Excited-State Dynamics of Triphenylphosphine-Derivative-Protected Au11 Clusters

, Authors: Daichi Eguchi, Yoshinobu Kamakura, Daisuke Tanaka, Takahito Nakajima, Naoto Tamai
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-mrlr8
 
Subject: Chemistry
,
Review
, Title:

Recent advances in Chan-Evans-Lam-type synthesis of ionic compounds

, Authors: Ao Wen, Baobao Su, Suci Meng, Huachen Lin, Zhibin Luo, Bin Liu
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-1gxth
 
Subject: Chemistry
,
Working Paper
, Title:

Reactions of Np(VI) and Pu(VI) with Phenanthroline Result in Bending the Np(VI)O₂²⁺ Unit and a Reduced Pu(V) Species

, Authors: Emily R. Mikeska, David D. Schnaars, Richard E. Wilson, André Severo Pereira Gomes, Valérie Vallet
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-kp4tp-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Reimagining Federal Unity in a Geopolitical Hotspot: India’s Constitutional Integration of Jammu and Kashmir in International Perspective

, Authors: SENTHILKUMAR ANANTHARAMAN
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.33774/apsa-2025-3m05s
 
Subject: Chemistry
,
Working Paper
, Title:

Anion Exchange in LaBaInO3F2: Structural and Optical Effects of Low-Temperature Topochemical Modification

, Authors: Shama Perween, Benjamin Knies, Margarida Barroso, Kerstin Wissel, Robert Löser, Chittaranjan Das, Michael Saliba, Oleksandr Bondarchuk, Hasan Yilmaz, Guido Schmitz, Marc Widenmeyer, Ingo Hartenbach, Oliver Clemens
Version undefined posted 06 August 2025
Posted
Aug 06, 2025
10.26434/chemrxiv-2025-xnxv2
 
Subject: Chemistry
,
Working Paper
, Title:

Fast ultra-selective 1H-15N 1D NMR spectroscopy unlocks atom-resolved dynamics of low-complexity protein regions

, Authors: Wiktor Adamski, Geraldine R. Levy, François-Xavier Cantrelle, Davy Sinnaeve
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-w5h7s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular LEGION: Latent Enumeration, Generation, Integration, Optimization and Navigation. A case study of incalculably large chemical space coverage around the NLRP3 target

, Authors: Bogdan Zagribelnyy, Vladimir Aladinskiy, Nikita Bondarev, Ivan Ilin, Maxim Malkov, Anna Vasileva, Xiaoyu Ding, Arkadii Lin, Rim Shayakhmetov, Alex Aliper, Feng Ren, Alex Zhavoronkov
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-h10tn
 
Subject: Chemistry
,
Working Paper
, Title:

Taming Boroloborinines: Toward Photostable Polycyclic Antiaromatic Hydrocarbons

, Authors: Muhammad Yasir Mehboob, Minu Sheeja, Cina Foroutan-Nejad
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-765br
 
Subject: Chemistry
,
Working Paper
, Title:

Insights into the Catalytic Activity of a Metagenome-Derived Urethanase

, Authors: Katarzyna Swiderek, Kemel Arafet, Victor de Sousa Batista, Daniel Grajales-Hernández, Fernando López-Gallego, Vicent Moliner
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-b9h25
 
Subject: Chemistry
,
Working Paper
, Title:

Bis-Guanidinate Scaffold for the Construction of Unique Zr(IV)-Li(I) Heterobimetallic Complexes

, Authors: Sagrika Rajput, Sharanappa Nembenna
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-lbcfq
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering of Volatile Cations in Tetrafluoroborate-Based Spontaneous Heterointerface Modulators for Perovskite Solar Cells

, Authors: Daisuke Kubota, Ryuzi Katoh, Hiroyuki Yaguchi, Takurou N. Murakami, Naoyuki Nishimura
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-vg5bm
 
Subject: Chemistry
,
Working Paper
, Title:

If It Fits, It Sits: Solvation Shell Geometry and Water Structure Constrain Ion Positions at the Interface

, Authors: Justina Helena Moss, Katharina Doblhoff-Dier
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-cw68k
 
Subject: Chemistry
,
Working Paper
, Title:

Integrated Life Cycle Assessment Guides Sustainability in Syn-thesis: Antiviral Letermovir as a Case Study

, Authors: Sander Folkerts, Maximilian G. Hoepfner, Gonzalo Guillen-Gosalbez, Javier Perez-Ramirez, Erick Carreira
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-s24s6
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Refractive Index Sensitivity of Linearly Assembled Gold Nanoantennae for Biosensing Applications

, Authors: Taufhik Hossain Tonmoy, Sezer Seçkin, Marisa Hoffmann, Isli Çela, Gyusang Yi, Ahmed Alsadig, Swagato Sarkar, Christian Rossner, Tobias A.F. König, Andreas Fery, Larysa Baraban
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-8q6g8
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic H/D Exchange of Aluminium Hydrides through reversible formation of Cobalt–Aluminium Complexes

, Authors: Sebastian Rücker, Berthold Stöger, Nikolaus Gorgas
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-74ds1
 
Subject: Chemistry
,
Working Paper
, Title:

Silyl Chloroalkenyl and Alkynyl Sulfur Pentafluorides as versatile reagents to access novel fundamental SF5 building blocks

, Authors: Philipp Bohn, Lujie Xu, Sharon Pinus, Max Flügge, Richard Kraus, André Bütikofer, Silke Wolf, David Rombach
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-jmfh6
 
Subject: Anthropology
,
Protocol/Methodology
, Title:

The Existence of Ghostly-spirits: Debunking Paranormal Skepticism

, Authors: Motsumi Taje
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.33774/coe-2025-7qd4h
 
Subject: Chemistry
,
Working Paper
, Title:

Changes in Structure and Ionic Resistance of Lithium-Ion Battery Graphite Electrodes – Part II: Impact of State-of-Charge

, Authors: Lennart Reuter, Jonas L. S. Dickmanns, Robert Morasch, Sven Friedrich, Andreas Jossen, Hubert A. Gasteiger
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-0v453
 
Subject: Chemistry
,
Working Paper
, Title:

An Exceedingly Long-Lived Photoexcited Triplet State Germylene with a Half-life of Hours at Room Temperature

, Authors: Enrique Soto, Felix Leon, Manuel Romero, Victor Castaing, Hernán Míguez, Gabriel Lozano, Jesus Campos
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-0s3vc
 
Subject: Chemistry
,
Working Paper
, Title:

TorchANI 2.0: An extensible, high performance library for the design, training, and use of NN-IPs

, Authors: Ignacio Pickering, Jinze Xue, Kate Huddleston, Nicholas Terrel, Adrian Roitberg
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-w0w7d
 
Subject: Chemistry
,
Working Paper
, Title:

Pd-Catalyzed Azidation of Aryl (Pseudo)Halides

, Authors: Shangyu Li, Polpum Onnuch, Richard Liu
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-fvbnw
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Destruct Thermosets: A Combination of the Comonomer Approach and Thermolatent-Base Compounds

, Authors: Sophia Kouider, Loic Buchon, Luna Choulot, Julie Bratasanu, Patrick Désirée, Jessica Mauriello, Elsa Maarek, Jean-Louis Clément, Damien Montarnal, Olivier Soppera, Didier Gigmes, Catherine Lefay, Yohann Guillaneuf
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-z051f
 
Subject: Chemistry
,
Working Paper
, Title:

Sodium Substitution Effects on Ammonia Selectivity of Cu₃N Nanocrystals for Electrochemical Nitrate Reduction

, Authors: Niket Powar, Progna Banerjee
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-3zqxg
 
Subject: Chemistry
,
Review
, Title:

Citrus Flavonoids for Cystic Fibrosis Treatment

, Authors: Mario Pagliaro, Caterina Di Sano, Claudia D'Anna, Giovanna Li Petri, Giuseppe Angellotti, Rosaria Ciriminna
Version undefined posted 07 August 2025
Posted
Aug 07, 2025
10.26434/chemrxiv-2025-jlmv9
 
Subject: Chemistry
,
Working Paper
, Title:

Photochromic Oxime Directing Groups for Spatially Controlled Pd-Catalyzed C–H Difunctionalization with Tandem Electrophiles

, Authors: Mahmoud Saleh, Mahmoud Afrasi, Ajay Bansode, Poulami Ghosh, Dan Wise, Marvin Parasram
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-1bcqv
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Quantum Nanosensors Functioning in Living Cells

, Authors: Hitoshi Ishiwata, Jiarui Song, Yoko Shigeno, Koki Nishimura, Nobuhiro Yanai
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-k7db1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Nucleic Acid-Based Electrochemical Detection Method for Post Hoc Sample Analysis

, Authors: Logan Echeveria, Sadi Shahriar, Allison Yorita, Erkin Seker
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-85lwh
 
Subject: Chemistry
,
Working Paper
, Title:

Long-Range Dipole Alignment of Molecules Generates Strong Local Electric Fields at Air–Water Interfaces

, Authors: Alessandra Mandala Kol, Teddy Herriman, Wendy Salmon, Gino DiLabio, Megan Jackson
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-dh30c-v2
 
Subject: Chemistry
,
Review
, Title:

Oxygen Migration Pathways in the Methanol Oxidation Reaction

, Authors: Fanxu Meng, Zihan Shen, Daniel J. Zheng, Pengfei Song, Xinlong Lin, Shibo Xi, Chao Wu, Yang Shao-Horn, Zhichuan J. Xu
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-mhf4p
 
Subject: Chemistry
,
Working Paper
, Title:

Iron-Catalyzed Direct Synthesis of p-Dioxanone from Commodity Methyl Glycolate and Ethylene Oxide

, Authors: Zheng Li, Tianqi Li, Dongfang Zhao, Zhibo Li
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-1nb8b
 
Subject: Chemistry
,
Working Paper
, Title:

Automating Mass Spectrometry Data Analysis for Antibody Subunit Characterization

, Authors: Amy Carfagno, Linda Lieu, Jake Kline, Luca Fornelli, Kenneth Durbin
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-wqkm4
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing the Pseudocapacitance Charge Storage Mechanism of Sulfur-doped Carbon Supercapacitors in non-aqueous Electrolyte through in situ EPR

, Authors: Tobias Neff, Friedrich Stemmler, Leonhard Kolb, Joris van Slageren, Anke Krueger
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-rkj64
 
Subject: Chemistry
,
Working Paper
, Title:

Ring Systems in Medicinal Chemistry: A Cheminformatics Analysis of Ring Popularity in Drug Discovery Over Time

, Authors: Peter Ertl, Eva Altmann, Rainer Wilcken
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-0g1xp
 
Subject: Chemistry
,
Working Paper
, Title:

Understanding hydrothermal vent electrochemical behaviour: a short-circuited fuel cell model

, Authors: Francesco Panico, Ivano Alessandri, Paolo Ghigna, Michael Russell, Alessandro Minguzzi, Alberto Vertova
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-q54x9
 
Subject: Chemistry
,
Working Paper
, Title:

Photoinduced Hydroxylation of Bromoarenes Enabled by Ir-Ni Photosensitizer-Catalyst Assembly

, Authors: MAHESH THOKE, Shao-Xia Lin
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-lrwk4
 
Subject: Chemistry
,
Working Paper
, Title:

In-situ regenerative adduct assisted p-type doping of organic semiconductor

, Authors: Brijesh K. Patel, Arya Vidhan, Shubham Gupta, Vaishali Arunachalam, Simantini Nayak, Shaibal K. Sarkar, Pabitra K. Nayak
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-dcq9g
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrothermal PVDF Binder Mitigation to allow Direct recycling of 2nd generation (NMC532) EoL EV cathode material

, Authors: Abbey Jarvis, Rosie Madge, Laura Driscoll, Phoebe Allan, Paul Anderson, Peter Slater
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-xt76v
 
Subject: Chemistry
,
Working Paper
, Title:

Advancing electrochemical detection of therapeutic LNA Oligonucleotides through a simple paper‑based platform

, Authors: Giovanna Liciberto, Ada Raucci, Canio Martinelli, Michelino De Laurentiis, Antonio Giordano, stefano cinti
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-pr5l5
 
Subject: Chemistry
,
Working Paper
, Title:

Visualizing Concerted Ion Migration of Superionic Conductors via Directed Graphs

, Authors: Ryuhei Sato, Yasunobu Ando, Kartik Sau, Yasushi Shibuta
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-lhl7b
 
Subject: Chemistry
,
Working Paper
, Title:

Long-Chain Surfactant Cations Template Layered A2SbCl5 Series with Near-Unity Photoluminescence Quantum Yield

, Authors: Haimanti Majumder, Aislinn A. Miranda, Kulatheepan Thanabalasingam, Kyle M. McCall
Version undefined posted 08 August 2025
Posted
Aug 08, 2025
10.26434/chemrxiv-2025-lmr7l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

In Silico Evaluation of Cranberry Procyanidin A2 as an Inhibitor of Streptococcus mutans Adhesion

, Authors: Yufan Wang
Version undefined posted 09 August 2025
Posted
Aug 09, 2025
10.26434/chemrxiv-2025-4scw5
 
Subject: Chemistry
,
Working Paper
, Title:

Bi and Te adlayers on Pt(111), Pt(110), and Pt(100) surfaces: geometry and electronic structure

, Authors: Andrey Koverga, Ana Maria Gomez Marin, Elizabeth Florez, Edson Ticianelli
Version undefined posted 09 August 2025
Posted
Aug 09, 2025
10.26434/chemrxiv-2025-h1cb2
 
Subject: Chemistry
,
Working Paper
, Title:

PharmacoForge: Pharmacophore Generation with Diffusion Models

, Authors: Emma Flynn, Riya Shah, Ian Dunn, Rishal Aggarwal, David Koes
Version undefined posted 10 August 2025
Posted
Aug 10, 2025
10.26434/chemrxiv-2025-dz765-v2
 
Subject: Chemistry
,
Working Paper
, Title:

nDTomo: A Python-Based Software Suite for X-ray Chemical Imaging and Tomography

, Authors: Antonis Vamvakeros, Evangelos Papoutsellis, Hongyang Dong, Ronan Docherty, Andrew M. Beale, Samuel J. Cooper, Simon D.M. Jacques
Version undefined posted 10 August 2025
Posted
Aug 10, 2025
10.26434/chemrxiv-2025-h5t2x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Transient interactions between cationic ionizable lipids and anionic lipids foster lamellar to hexagonal phase transition

, Authors: David Noel Zimmer, Friederike Schmid, Giovanni Settanni
Version undefined posted 10 August 2025
Posted
Aug 10, 2025
10.26434/chemrxiv-2025-rwb18
 
Subject: Chemistry
,
Working Paper
, Title:

Deconstructing Chirality: Probing Local and Non-local Effects in Azobenzene Derivatives with X-ray Circular Dichroism

, Authors: Ajay Khanna, Victor M. Freixas, Lei Xu, Jeremy R. Rouxel, Niranjan Govind, Marco Garavelli, Shaul Mukamel, Sergei Tretiak
Version undefined posted 10 August 2025
Posted
Aug 10, 2025
10.26434/chemrxiv-2025-vp7qf
 
Subject: Chemistry
,
Working Paper
, Title:

Fine-tuning the mechanical and degradation properties of chemically crosslinked hyaluronic acid hydrogels through salt treatment

, Authors: Mohammad Moeini, Tesnime Hidjir, Sebastian Mafeld, Naomi Matsuura
Version undefined posted 10 August 2025
Posted
Aug 10, 2025
10.26434/chemrxiv-2025-8xwl4
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of Diol-Based Deep Eutectic Solvents on Laccase Enzyme Activity and Stability

, Authors: Madushmita Hatimuria, Jyoti Vishwakarma, Akshara Mohan, Riya R Krishnan, Nikesh Chandran C, Krishna Gavvala, ASHOK PABBATHI
Version undefined posted 10 August 2025
Posted
Aug 10, 2025
10.26434/chemrxiv-2025-t3dhx
 
Subject: Chemistry
,
Working Paper
, Title:

Why Do Methane Emissions Occur? Towards a Predictive Framework for Risk-Targeted Mitigation in Oil and Gas Operations

, Authors: Abdulmuiz Adekomi, Shuting Yang, Shannon Stokes, Arvind Ravikumar
Version undefined posted 10 August 2025
Posted
Aug 10, 2025
10.26434/chemrxiv-2025-4rl64
 
Subject: Chemistry
,
Working Paper
, Title:

Advancing Battery Diagnostics through Operando Neutron Diffraction of Unmodified Non-deuterated Li-ion Single-layer Pouch Cells

, Authors: Ashok S. Menon, Gabriel E. Pérez, Gaurav C. Pandey, Fabio Orlandi, Pascal Manuel, Tobias A. Bird, Daniel JM Irving, Eleni Fiamegkou, Louis FJ Piper
Version undefined posted 10 August 2025
Posted
Aug 10, 2025
10.26434/chemrxiv-2025-8n40n-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Magnetite Nanodiscs as Vortex-Enhanced MRI Contrast Agents: A Novel Approach in Medical Imaging

, Authors: Elif Koçar, Enza Di Gregorio, Syed Bilal Nizami, Vicente Durán Toro, Uzair Ali, Lorenzo Signorelli, Teresa Giannattasio, Franziska Wasner, René Stein, Rainer Tietze, Marianna Sorrentino, Alessia Corrado, Allegra Conti, Nicola Toschi, Giuseppe Ferrauto, Danijela Gregurec
Version undefined posted 10 August 2025
Posted
Aug 10, 2025
10.26434/chemrxiv-2024-6zc3p-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Simultaneous Detection of Protein and RNA Using Proximity Ligation of Aptamers and Quantitative Polymerase Chain Reaction

, Authors: Emil Zaripov, Carlos Gu, Kalem Holmes, Yuchu Dou, Aliaksandra Radchanka, Drake Johnson-Scherger, Petr Kasyanchyk, Abdullah Khraibah, Nandanee Mulloo, Maxim Berezovski
Version undefined posted 10 August 2025
Posted
Aug 10, 2025
10.26434/chemrxiv-2025-1d2c4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Long-Range Interactions in High-Dimensional Neural Network Potentials: A Benchmark Study for Small Organic Molecules

, Authors: Nguyen Thien Phuc Tu, Alexander Knoll, Jörg Behler, Christopher Rowley
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-qt1rr
 
Subject: Chemistry
,
Working Paper
, Title:

Explicitly correlated geminal-based perturbation theory

, Authors: Zsuzsanna É. Mihálka, Jozef Noga
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-rrz7n-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular deep learning at the edge of chemical space

, Authors: Derek van Tilborg, Luke Rossen, Francesca Grisoni
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-qj4k3-v3
 
Subject: Chemistry
,
Working Paper
, Title:

ykkC-I Riboswitch Aptamer Domain Requires an Interplay Between Metal Triad and Cationic Ligand: Insights into Metal Ion-Induced Allostery from Molecular Dynamics Simulations

, Authors: Indu Negi, Stacey D. Wetmore
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-77s3l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Glide WS: Methodology and Initial Assessment of Performance for Docking Accuracy and Virtual Screening

, Authors: Richard Friesner, Robert Murphy, Yuqi Zhang, Yeyue Xiong, Pierre Devlaminck, Ivan Tubert-Brohman, Steven Jerome
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-0s90h-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Efficiently predicting pressure-composition-temperature diagrams to discover low-stability metal hydrides

, Authors: Lauren Way, Veronique Charbonnier, Julien Fadonougbo, Rebecca Clulow, Lei Lei, Sanliang Ling, David Grant, Martin Dornheim, Tanumoy Banerjee, Hanna Breunig, Claudia Zlotea, Andrew Rowberg, Pin-Wen Guan, Vitalie Stavila, Mark Allendorf, Martin Sahlberg, Kouji Sakaki, Norman Bartelt, Matthew Witman
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-cfjgm
 
Subject: Chemistry
,
Working Paper
, Title:

Organophotoredox-catalyzed Trifluoromethylative Cyclization of Alkenoic Thioesters

, Authors: Kanaru Sasaki, Takashi Fujihara, Hiroki Shigehisa
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-p4nft
 
Subject: Chemistry
,
Working Paper
, Title:

Materials Dual-Source Knowledge Retrieval-Augmented Generation for Local Large Language Models in Photocatalysts

, Authors: Wataru Takahara, Yuichi Yamaguchi, Mai Ogano, Fuga Kakami, Yosuke Harashima, Tomoaki Takayama, Shogo Takasuka, Akihiko Kudo, Mikiya Fujii
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-bjq11
 
Subject: Chemistry
,
Working Paper
, Title:

A Graph-Based Machine Learning Framework for Predicting Fuel Mixture Properties with Limited Data

, Authors: Ming-Hsuan Tsai, Yen-Hsiang Lin, Yi-Pei Li
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-hw9ff
 
Subject: Chemistry
,
Working Paper
, Title:

Donor-Acceptor-Donor Small-Molecule Dots are Brighter than Polymer Dots of Similar Chromophore Units

, Authors: Nirmal K. Das, Hubert Piwonski, Shuho Nozue, Manjusha Joshi, Kosuke Terayama, Tsuyoshi Michinobu, Satoshi Habuchi
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-18xnp
 
Subject: Chemistry
,
Working Paper
, Title:

Organic flux-mediated ligand exchange enables coordination sphere engineering and topological restructuring in metal-organic framework glasses

, Authors: Jan-Benedikt Weiß, Lorena Fritsch, Michele Tricarico, Anke Schoch, Soma Salamon, Wen-Long Xue, Chinmoy Das, Pascal Kolodzeiski, Heiko Wende, Jin-Chong Tan, Matthias Bauer, Sebastian Henke
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-2ss9r
 
Subject: Mathematics
,
Working Paper
, Title:

Fermat's Last Theorem 3rd Way

, Authors: Taha Muhammad
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.33774/coe-2025-gx3m3
 
Subject: Mathematics
,
Working Paper
, Title:

Fermat's General Case 3rd Way

, Authors: Taha Muhammad
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.33774/coe-2025-3ld8n
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Imaginary Time and the Arrow of Time: Interplay Between Relativity and Quantum Mechanics

, Authors: WEN-XIANG CHEN
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.33774/coe-2025-ks4h1
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Electrocatalytic Nitrate Reduction to Ammonia Enabled by a [8+2]-Connected Three-Dimensional Metal–Bipyridine Covalent Organic Framework

, Authors: Tsukasa Irie, Ayumu Kondo, Kai Sun, Kohki Sasaki, Mika Nozaki, Kotaro Sato, Tokuhisa Kawawaki, Yu Zhao, Saikat Das, Yuichi Negishi
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-50r8z
 
Subject: Chemistry
,
Working Paper
, Title:

Brønsted Acidity and Cracking Reactivity in Y Zeolites: Effects of Mesoporosity and Extra-Framework Aluminum

, Authors: Chin-Hsuan Chang, Yen-Chun Lin, Shih-Cheng Li, Yi-Pei Li
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-qg1zr
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring iron-containing electrodes for all-iron redox flow batteries

, Authors: Inmaculada Gimenez-Garcia, Antoni Forner-Cuenca
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-k77zb
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

The Hypothetical Time Particle: A Possible Geometric Framework for Emergent Time

, Authors: Muhammad Nafi
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.33774/coe-2025-33w90
 
Subject: Chemistry
,
Working Paper
, Title:

High-Concentration Aqueous Synthesis of Salicylate-Based Metal-Organic Frameworks

, Authors: Zayim Jamil, Tristan Pitt, Phillip Milner, Ronald Jerozal
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-73xz2
 
Subject: Chemistry
,
Working Paper
, Title:

Bottleable “Ph3C·”: Negligible Electronic Perturbation by Peripheral Steric Protection

, Authors: Yannick Schulte, Kotowa Hoshino, Satoru Kuwano, Kei Goto
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-hdm6f
 
Subject: Chemistry
,
Review
, Title:

Density Functional Theory (DFT) for next generation Energy Storage and Biomedical Applications: A Perspective

, Authors: Ashish Garg, Bhargav Akkinepally
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-c3tnz
 
Subject: Chemistry
,
Working Paper
, Title:

Journey into the Magnetic and Spectroscopic Realm of Iron-Nickel Meteorites for Future Applications in Functional Materials

, Authors: Matic Jovičević-Klug, Cristiano Kasdorf Giesbrecht1, Bojan Ambrožič, Florian Gossing, Carlo Alberto Brondin, Zygmunt Miłosz, Eric V. Woods, Matteo Amati, Petra Ebbinghaus, Christian Schwab, Martin Finsterbusch, Luca Gregoratti, Jeffrey McCord, Michael Rohwerder, Patricia Jovičević-Klug
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-rp08n
 
Subject: Chemistry
,
Working Paper
, Title:

From Engines to Entropy: Connecting Second Thermodynamic Principle Formulations via Johnstone’s Triangle

, Authors: Carlos Rinaldi
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-8bbbm
 
Subject: Chemistry
,
Review
, Title:

Chitosan-Enhanced Polymeric Microneedles: Innovations and Prospects in Drug Delivery — A Review

, Authors: Swati Bishnoi, Ankita Singh, Ashish Garg, Prabhakar Kumar, Sudip Kumar Pattanayek
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-45jwn
 
Subject: Chemistry
,
Working Paper
, Title:

Rational Design, Synthesis, and Catalytic Enantioselective Derivatization of an achiral ansa-Macrocycle

, Authors: Rui Wang
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-jcnff
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Aided Chemical Signal Propagation in Hydrogel Metastructures

, Authors: Styliani-Theodosia Korfia, Foteini Trigka, Víctor Riera Naranjo, Sara Bizzi, Hang Zhang, Bolei Deng, Michael M. Lerch
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-p4fmf
 
Subject: Chemistry
,
Working Paper
, Title:

Di Amine BODIPY and BOPHY as Dual sensor of pH and selective to Cu2+

, Authors: Tania Mazuelo, Teresa Naranjo, Miguel Gomez-Mendoza, Victor A. de la Peña O´Shea, Marta Liras
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-x3h9j
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting rates of manganese oxide reduction from thermodynamic driving forces and structural properties

, Authors: Xinru Liu, Vineeth Pothanamkandathil, Lorenz Schwab, Shun Mao, Meret Aeppli
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.26434/chemrxiv-2025-5w8sg
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Political Economy of Artificial Intelligence: Evidence from Western Europe

, Authors: Ranjit Lall
Version undefined posted 11 August 2025
Posted
Aug 11, 2025
10.33774/apsa-2025-4n31w
 
Subject: Chemistry
,
Working Paper
, Title:

N-Arylation by Nickel-Mediated Carbonyl Deletion from Carbox-amides Enabled by Visible Light

, Authors: Daniel Akuamoah, Manana Tsiskarishvili, William Brennessel, C. Rose Kennedy
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-kj1m5
 
Subject: Chemistry
,
Working Paper
, Title:

Promiscuous scaffolds: Friend or foe in fragment-based drug design?

, Authors: Ann-Kathrin Prinz, Philipp Janssen, Fabiana Rosini, Carlos Montanari, Oliver Koch
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-bmv1h
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorescent Probes Derived from the Polyene Class of Antifungal Drugs Reveal Distinct Localization Patterns and Resistance-Associated Vacuolar Sequestration in Candida Species

, Authors: Melissa Shbeta, Tal Kopp, Ivan Voronov, Adi Yona, Rania Hasib Afana, Shmuel Carmeli, Micha Fridman
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-qc50x
 
Subject: Chemistry
,
Working Paper
, Title:

Localising Multiple Spin-Charge States in Bridgehead-to-peri Annulated Triptycenes

, Authors: Stefan Warrington, Antti-Pekka Miikael Reponen, Tejas Deshpande, Tamsin Carolan, Eleanor Dodd, Simon Coles, Cate Anstoter, Sascha Feldmann, Iain Wright
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-trzcq
 
Subject: Chemistry
,
Working Paper
, Title:

Regiodivergent cation sampling for distal Csp3 -functionalization

, Authors: Philipp Spieß, Miloš Vavrík, Jakob Frey, Uroš Vezonik, Daniel Kaiser, Nuno Maulide
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-ks4x0
 
Subject: Chemistry
,
Working Paper
, Title:

Beyond Wingtips: Backbone Alkylation Affects the Orientation of N-Heterocyclic Carbenes on Gold Nanoparticles

, Authors: Ahmadreza Nezamzadeh, Shayanta Chowdhury, Gaohe Hu, Nathaniel L. Dominique, Emmett Desroche, Sakiat Hossain, Mark Aloisio, Ryan Groome, Michael Furlan, Kayla Boire, Alastair B. McLean, Lasse Jensen, Jon P. Camden, Cathleen M. Crudden
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-dzlfn
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Nanoparticle Surface Amphiphilicity: An Integrated Computational and Laser Desorption Ionization Study of Controlled Ligand Self-Assembly

, Authors: Jacob Kennedy, Zachary LaFaver, Marcus Dupart Jr., Kateri H. DuBay, David L. Green
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-qx7k2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chemodivergent Cobalt-Catalyzed Annulation of Aliphatic Amides with Maleimides: (4+1) and (3+2) Pathways for Selective Synthesis

, Authors: Javier Adrio, Nuria Rodríguez, Inés Alonso, Juan C. Carretero, Celia Sánchez González
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-8vw5h
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate and Efficient Prediction of pKa in Aqueous Electrolytes Using Local Electrostatic Potentials

, Authors: Abdullah Ozkanlar, Simantini Paul, Aurora Clark
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-8gjg6
 
Subject: Chemistry
,
Working Paper
, Title:

One-pot ruthenium-catalyzed synthesis of benzyl/allyl-halide substituted (dihydro)naphthalenes via radical benzannulation

, Authors: Nicole S. van Leeuwen, David Vesseur, Thijmen Bonhoff, Jeffrey van Laar, Coert van Lare, Simon Mathew, Sonja Pullen, Joost N.H. Reek, Aalbert Zwijnenburg, Bas de Bruin
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-3ftmn-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Charge Modulation of the Cobalt Center in An Azo-Linked Porphyrin Covalent Organic Framework: A Strategy for Boosting CO2 Photoreduction

, Authors: Xin Zhao, Zhi-Bei Zhou, Peng-Ju Tian, Chao Liu, Wen-Zhuang Wang, Xiao-long Wan, Xiao-ling Lei, Qiao-Yan Qi, Shun-Qi Xu, Yubin Fu, Xin Zhao
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-k5dgf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Protonation-Induced Electron Density Redistribution Facilitates Aggregation in PNNP Dicopper Hydride Complexes

, Authors: Roel L. M. Bienenmann, Chattawat Thangsrikeattigun, Alexandra J. Schanz, Martin Lutz, Mu-Hyun Baik, Daniel L. J. Broere
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-zsnkg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic elucidation of enzymatic C-glycosylation: Facilitation by proton transfer to UDP-glucose

, Authors: Daisuke Terada, Taichi Inagaki, Miho Hatanaka
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-c8krs-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating Ti-Nb alloys as supports for iridium oxide water oxidation electrocatalysts

, Authors: Guangmeimei Yang, Wei Huang, Yifeng Wang, Caiwu Liang, Yuxiang Zhou, Santosh Kumar, Pilar Ferrer Escorihuela, Parnia Navabpour, Giuseppe Sanzone, Trevor Ferris, Mark Turner, Sarah Haigh, Georg Held, Caterina Ducati, Andreas Kafizas, Reshma Rao
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-p15vj
 
Subject: Chemistry
,
Working Paper
, Title:

Using Multiple Isotope-Labeled Infrared Spectra for the Structural Characterization of an Intrinsically Disordered Peptide

, Authors: Ian Jef Bongalonta, Aaron Dinner, Andrei Tokmakoff
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-zg815
 
Subject: Chemistry
,
Working Paper
, Title:

Elucidating Structural and Activity Differences Between Tautomerases cis-CaaD and Cg10062: Implications For 3-Hydroxypropionic Acid Production from Acetylenecarboxylic Acid

, Authors: Katelyn Silva, Nada Al-Ahmad, James H Geiger, Karen Draths
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-lcrxw
 
Subject: Chemistry
,
Working Paper
, Title:

Ball-Milling Assisted Iron-Catalyzed Difluoromethylation for the Synthesis of Difluoromethylated Oxindoles

, Authors: Vitalii Solomin, Nicolas Delcroix, Marie Caldiero, Philippe Jubault, Thomas Castanheiro
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-z549p
 
Subject: Chemistry
,
Working Paper
, Title:

Iterative Multistructure and Curried Iterative Multistructure: Graph, Function, Chemical Structure, and beyond

, Authors: Takaaki Fujita
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-zt9kf
 
Subject: Chemistry
,
Review
, Title:

Synthetic Routes and Bioactivity Profiles of The Phenothiazine Privileged Manifold

, Authors: Aigul Malmakova, Alan Jones
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-bd4pm
 
Subject: Chemistry
,
Working Paper
, Title:

Decoupling Photochemical and Thermal Pathways in Photothermal CO2-to-Methanol Hydrogenation over In2O3-CeO2 Heterojunctions

, Authors: Defu Yao, Sha Li, Cuihua Qin, Xiaodan Lin, Letian Wang, Chenchen Zhang, Yuzhen Chen, Ziyi Zhong, Charlotte Vogt
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-m166z
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamics and Mechanism of Off- to On-switching in Dreiklang a Decoupled Reversibly Switchable Fluorescent Protein

, Authors: Anam Fatima, Yongle He, Danielle Rosenberger, Gregory Greetham, PARTHA MALAKAR, ANDRAS LUKACS, PETER TONGE, STEPHEN MEECH
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-6cnnw
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of 3-dehydroxy-5-epi-collinoketone and its cognitive benefits by reducing aggregates of amyloid-β and tau

, Authors: Seongrok Heo, Minhae Cha, Wonho Zhung, Sirisuk Keereewan, Soljee Yoon, JiMin Kim, Illhwan Cho, Suhyun Ye, Jae-Kyung Heo, Hayoung Hwang, Woo Youn Kim, YoungSoo Kim, Sunkyu Han
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-cqswq
 
Subject: Chemistry
,
Working Paper
, Title:

Adsorption of L-Arginine and L-Lysine on Calcium Montmorillonite in the Presence of γ-Aminobutyric Acid

, Authors: Rosa Braeuer, Sarah V Stewart, Valentina Erastova
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-nrsm5
 
Subject: Chemistry
,
Working Paper
, Title:

Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model

, Authors: Martin Priessner, Richard Lewis, Jon Paul Janet, Isak Lemurell, Magnus Johansson, Jonathan Goodman, Anna Tomberg
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2024-zmmnw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Quantification of Reaction Barriers under Diffusion Controlled Conditions

, Authors: Martin M. Maehr, Radu A Talmazan, Maren Podewitz
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-m441k-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ortho-Hydroxyanilides: Slow-Acting, Selective HDAC1/HDAC2 Inhibitors Suitable for Photocaging Applications

, Authors: Irina Honin, Tao Sun, Linda Schäker-Hübner, Finn Kristian Hansen
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-llrnl
 
Subject: Chemistry
,
Working Paper
, Title:

Curvature-induced vitrification & polymorphism in corannulene, the simplest geodesic polyarene

, Authors: Mattia Gaboardi, Valerio Di Lisio, Balthasar Braunewell, Jay Siegel, Daniele Cangialosi, Felix Fernandez-Alonso
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-gdq9l
 
Subject: Chemistry
,
Working Paper
, Title:

Iron Oxide-Coated Zeolite Composite Granules for Cadmium Stabilization in Contaminated Soils: Synthesis and Assessment

, Authors: Yuliia Bondar, Vladislav Chrastný, Adéla Šipková, Eva Pecková, Ewa Skwarek
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-kxvjm
 
Subject: Chemistry
,
Working Paper
, Title:

Merging central and axial chirality in Cyclic(alkyl)(amino)carbenes: The keystone for high enantioselectivities in Ru-catalyzed asymmetric olefin metathesis

, Authors: Meng Liu, Dylan Bouëtard, Jakub Talcik, Jan Lorkowski, Ziyun Zhang, Thomas Vives, Thierry Roisnel, Muriel Serradeil-Albalat, Nicolas Vanthuyne, Luigi Cavallo, Laura Falivene, Rodolphe Jazzar, Marc MAUDUIT
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-82kcw
 
Subject: Chemistry
,
Working Paper
, Title:

Bismuth Paper as a Lead-Free Alternative to High-Throughput Colorimetric Detection Method for Hydrogen Sulfide

, Authors: Alan Chen, Vijay Krishna
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-1r058
 
Subject: Chemistry
,
Working Paper
, Title:

Thermodynamic Stability, Structure, Dynamics and Thermal Properties of C-type Aluminiumtrisdihydrogenphosphate

, Authors: Sheyi Clement Adediwura, Jan Konrad Wied, Christian F. Litterscheid, Jörn Schmedt auf der Günne
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-4082s
 
Subject: Drama and Theatre
,
Presentation
, Title:

Performance Praxis of Affective Sublation Through the Devised Language of Parody

, Authors: Anirban Kumar
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.33774/coe-2025-69mc7-v2
 
Subject: Law
,
Working Paper
, Title:

Law Enforcement and Social Protection: Ethical Challenges of the Enforcement System

, Authors: Zoltán Sőre
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.33774/coe-2025-d8mht
 
Subject: Chemistry
,
Review
, Title:

Artificial Intelligence in Scalable Materials Synthesis and Manufacturing: A Comprehensive Review

, Authors: Nagababu Andraju
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-8l1km
 
Subject: Chemistry
,
Working Paper
, Title:

Localized Dilution Enables Solvation-Controlled Ion Transport in Ultrathick Zn–I₂ Gel Batteries for Long-Duration Energy Storage

, Authors: Litao Yan, Ruozhu Feng, Ying Chen, Peiyuan Gao, Jong-Hwa Shon, Yaobin Xu, Xin Zhang, Guosheng Li, Yuyan Shao, Wei Wang
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-07zmr
 
Subject: Chemistry
,
Working Paper
, Title:

General equilibration of macromolecular systems by Kuhn-scale mapping and dynamic backmapping

, Authors: Jacob Metcalfe, Ryan Szukalo, Michael Webb
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-cjgvz
 
Subject: Chemistry
,
Working Paper
, Title:

Unit process modeling to benchmark and translate electrocatalytic reactive separations of wastewater nitrate

, Authors: Dean Miller, Kristen Abels, Wylie Kau, William Tarpeh
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-12s20
 
Subject: Chemistry
,
Working Paper
, Title:

HyperFunction and SuperHyperFunction in Chemistry

, Authors: Takaaki Fujita
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-05l3q
 
Subject: Chemistry
,
Working Paper
, Title:

Kinetically-Controlled Morphologies of Magnetic Nanoparticles through Ligand and Precursor Chemistry

, Authors: Rabia Amin, Yihao Wang, Johannes Berlin, Markus Etzkorn, Christopher R. Everett, Susanne Kempter, Meinhard Schilling, Peter Müller-Buschbaum, Jan Lipfert, Mohammad Suman Chowdhury, Aidin Lak
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-217tn
 
Subject: Chemistry
,
Working Paper
, Title:

Dual-mode rotary motion in motor-integrated covalent organic frameworks

, Authors: Junxia Ren, Yujie Wang, Jinquan Suo, Zitao Wang, Xiaohong Chen, Bo Miao, Yiji Wang, Yaozu Liu, Daliang Zhang, Dan Zhao, Shilun Qiu, Valentin Valtchev, Qianrong Fang
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-995rk
 
Subject: Chemistry
,
Working Paper
, Title:

Single File Injections (SFI) Enable Thousand-Sample-per-Day Analysis by Liquid Chromatography-Mass Spectrometry

, Authors: Miao Yu, Shujian Zheng, Vivek Philip
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-3qx3t
 
Subject: Chemistry
,
Working Paper
, Title:

MTAN-ADMET: A Multi-Task Adaptive Neural Network for Efficient and Accurate Prediction of ADMET Properties

, Authors: Shaheerah Shahid, Dibyendu Maity, Suman Chakrabarty
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-zhrsk
 
Subject: Chemistry
,
Working Paper
, Title:

A Practicable Measure and Spatial Visualization of Steric repulsion with Atomic Resolution

, Authors: Guillaume Hénon-Just, Corentin Lefebvre, Akil Rajamani, Hassan Khartabil, Julien Pilmé, Eric Hénon
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-br97q
 
Subject: Chemistry
,
Working Paper
, Title:

Bioprinting of Nanocellulose Hydrogels for Photobiocatalysis in Continuous Flow Systems

, Authors: Lenny Malihan-Yap, Lisa Schmedler, Daniel Pint, Hitesh Medipally, Florian Lackner, Simon Fedrigotti, Rupert Kargl, Karin Stana Kleinschek, Robert Kourist, Heidrun Gruber-Woelfler
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-v05vd
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling foulant deposition mechanisms on cation exchange membranes during electrochemical stripping for wastewater ammonia recovery

, Authors: Neha Sharma, Anna Kogler, Kindle Williams, Johanna Nelson Weker, Sharon Bone, William Tarpeh
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-gxjw3
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Molecular Docking Simulations of Aptamers Targeting CD30 in the Treatment of Hodgkin Lymphoma

, Authors: Rehman Arif, Gaurav Sharma
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-dtgwn
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking azobenzene isomerization mechanisms via an LLM agent-driven workflow integrating simulation, experiment, and machine learning

, Authors: Yixi Shen, Ledu Wang, Yan Huang, Xiaolong Zhang, Meng Huang, Huirong Li, Jing He, Aoran Cai, Yang Wang, Pieter Smith, Jun Jiang, Zhuoying Zhu, Linjiang Chen
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-4kh1r
 
Subject: Chemistry
,
Working Paper
, Title:

gem-DifluoroVinylcyclopropane (DF-VCP) Rearrangement to Cyclopentenones Catalyzed by Rhodium: Reaction Development and Mechanistic Study

, Authors: Ming Xu, Kang Wang, Zhi-Xiang Yu
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-b0pf5
 
Subject: Chemistry
,
Working Paper
, Title:

Theoretical study of the mixed-orbital charge-transport characteristics of a zigzag-shaped organic semiconductor with a unique HOMO configuration

, Authors: Hiroshi Kajiwara, Masato Mitani, Hiroyuki Ishii, Toshihiro Okamoto
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-s2453
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization and performance improvement of double perovskite Cs2CuSbCl6 solar cells: A computational study

, Authors: Sarang Srikanth
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-87805
 
Subject: Chemistry
,
Working Paper
, Title:

Comparison of oxidation products generated from the reaction of α-pinene with hydroxyl radicals, chlorine atoms, and bromine atoms measured using ammonium adduct chemical ionization mass spectrometry

, Authors: Andrew Lambe, Jordan Krechmer, Anita Avery, Mitchell Alton, Neil Donahue, Manjula Canagaratna
Version undefined posted 12 August 2025
Posted
Aug 12, 2025
10.26434/chemrxiv-2025-cpdrt
 
Subject: Chemistry
,
Working Paper
, Title:

Cationic Sulfonium-based Tripodal Ligand and its Rh(I) Complexes

, Authors: Nitsan Barel, Shurouq Mujaheed, Kamal Uddin Ansari, Katarzyna Mlodzikowska-Pienko, Renana Gershoni-Poranne, Yuri Tulchinsky
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-st57b
 
Subject: Chemistry
,
Working Paper
, Title:

High-Entropy Phosphate Synthesis: Advancements through Automation and Sequential Learning Optimization

, Authors: Stephanos Karafiludis, Jacob Standl, Tom William Ryll, Alexander Schwab, Carsten Prinz, Jakob B. Wolf, Sabine Kruschwitz, Franziska Emmerling, Christoph Völker, Tomasz M. Stawski
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-zhkfp-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of heterocyclic analogues of Mosher's acid

, Authors: Igor Pervak, Andrii Kyrylchuk, Aleksandr Yurchenko, Roman Rudenko, Pavlo Shynkarenko, Yevhenii Novodvorskyi, Evgenij Zarudnitskii
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2024-vt63v-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Design of Alkaline Earth-Doped Co/MgO Catalysts for High-Performance Ammonia Decomposition

, Authors: Sachika Hayashi, Takahiro Naito, Kanishka H. De Silva, Katsutoshi Sato, Takaaki Toriyama, Tomokazu Yamamoto, Yasukazu Murakami, Katsutoshi Nagaoka
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-492xf-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Extending Quantum Coherence Lifetimes in Nonadiabatic Dissipative Molecular Systems with Chirped Pulses

, Authors: Robert Strich, Shirin Faraji, Elisa Palacino-González
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-s2cq4-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Large-area thin-film synthesis of photoactive Cu3PS4 thiophosphate semiconductor with 0-14 pH stability range

, Authors: Lena A. Mittmann, Javier Sanz Rodrigo, Eugène Bertin, Giulia Dalmonte, Jean-Claude Grivel, Ivano E. Castelli, Andrea Crovetto
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-bzrmf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Reductive Catalytic Upcycling of Polyethylene Using 2-Propanol as Direct Hydrogen-Donor Source

, Authors: Antonio Cosimo Pio Trimboli, Viviana Bressi, Emilia Paone, Riccardo Pellegrini, Paolo Lazzarini, Elena Clara Groppo, Francesco Mauriello
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-vsrzv
 
Subject: Chemistry
,
Working Paper
, Title:

Controlled thermal depolymerization of polystyrene using metal-organic frameworks

, Authors: Haruma Tatsumi, Ami Nishijima, Takashi Uemura
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-jl3l4
 
Subject: Chemistry
,
Working Paper
, Title:

A Gold-PROTAC degrades the oncogenic tyrosine kinase MERKT: insights into the degradome from a steady-state system

, Authors: Sophie Thomas, Thomas Iellici, Mihyun Park, Elisabeth Klaus, Andrea Bileck, Christopher Gerner, Samuel Meier-Menches, Angela Casini
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-s8wbv
 
Subject: Chemistry
,
Working Paper
, Title:

Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation at Cu(111)

, Authors: Felix Riccius, Nicolas Bergmann, Hendrik H. Heenen, Karsten Reuter
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-pbt42
 
Subject: Chemistry
,
Working Paper
, Title:

Glassy Dynamics of Model Complex Coacervate Films with Variable Interaction Strength Quantified by the Critical Salt Concentration

, Authors: Nehil Shreyash, Maninderjeet Singh, Karan Paswan, Nour Badeer, Mohammad Hassan, Jack Douglas, Gul Zerze, Alamgir Karim
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-2n6f2
 
Subject: Chemistry
,
Working Paper
, Title:

Facile Aryl C–N Bond Formation via SNAr Using Photothermal Red Light Activation

, Authors: Megan Matter, Rory Devin, Erin Stache
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-st87c
 
Subject: Chemistry
,
Working Paper
, Title:

DNA-Scaffolded Ultrahigh-Throughput Reaction Screening

, Authors: Caleb Cox, Edward Pimentel, Beck Miller, Daniel Nesbitt, Justice LeMonds, Ethan Hartman, Tate Hancock, Robert Kennedy, Joshua Coon, Matthew Sigman, Jeffrey Martell
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-lm981
 
Subject: Chemistry
,
Working Paper
, Title:

Multiphase ozone oxidation of catechol and its products after OH- and light-driven processing

, Authors: Sithumi Liyanage, Meredith Schervish, Habeeb Al-Mashala, Katrina Betz, Akansha Sharma, Manabu Shiraiwa, Elijah Schnitzler
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-ft12g
 
Subject: Chemistry
,
Working Paper
, Title:

The acidic constant of hydrofluoric acid in high-pressure and high-temperature geo-fluids

, Authors: Qiushi Guan, Feng Wang, Fang Huang, Yanlu Xing, Weihua Liu, Jun Cheng, Yuan Mei
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-zl28h
 
Subject: Chemistry
,
Working Paper
, Title:

Data-Driven and Physics-Guided Design of Viscosity-Modifying Polymers

, Authors: Shengli Jiang, Michael Webb
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-td5v6
 
Subject: Chemistry
,
Working Paper
, Title:

Curcumin Driven Formation of Self-Cascade Nanoclusters from Urate Oxidase-H2S Donor Conjugates for Acute Gouty Arthritis Alleviation

, Authors: Yuxuan Ge, Fan Rong, Zixin Wang, Yujia Lu, Yanwen Zhang, Yijun Cheng, Junsheng Chen, Yin Wang
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-wl6n4
 
Subject: Chemistry
,
Working Paper
, Title:

Two-dimensional Reversible Supramolecular Poly-morphism Governed by Weak Solvent-Solute Interactions

, Authors: Subhankar Paul, Zihan Li, Sagar Biswas, Debjit Biswas, Arka B. Dey, Celine Besnard, Takuji Adachi, G. N. Manjunatha Reddy, Debangshu Chaudhuri
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-124fx
 
Subject: Chemistry
,
Working Paper
, Title:

Shifting focus in the Bradford assay: interfering compounds re-examined

, Authors: Naila Nasirova, Gregor Kaljula, Elina Leis, Darja Lavogina
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-sqc3d
 
Subject: Chemistry
,
Working Paper
, Title:

An elusive cross coupling of α-pentafluorosulfanylated S,S-ketene acetals

, Authors: Lujie Xu, David Rombach
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-zz2qx
 
Subject: Chemistry
,
Review
, Title:

The history of high-pressure homogenization

, Authors: Andreas Håkansson
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-rr6nz
 
Subject: Chemistry
,
Working Paper
, Title:

Are Ionic and Molecular Liquids Distinct at Extreme Pressures?

, Authors: Oliver Hammond, Roman de la Presilla, Olga Shebanova, Akepati Bhaskar Reddy, Guillaume Bousrez, Sangjin Kim, Yoon Han Lee, Gabriel Calderon-Salmeron, Ricardo Martins, Juan Zapata, Kee Hoon Kim, Oleg Antzutkin, Mark Rutland, Anja Mudring, Sergei Glavatskih
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-dq5hl
 
Subject: Chemistry
,
Working Paper
, Title:

Scalable Conversion from Food Loss and Waste to C–N Commodity via a Flow Electrolyzer

, Authors: Ruijie Yi, Xiaoyong Mo, Jingtao Zhou, Fulai Liu, Yong Chen, Edmund Chun Ming Tse
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-gmhkj
 
Subject: Chemistry
,
Working Paper
, Title:

Breaking the Digital-Physical Barrier in Organic Electronics Materials Discovery: Application to Finding Anti-Kasha Molecules

, Authors: Ömer Omar, Daniele Padula, Kate Morrison, Krzysztof Pawlak, Alexander Ciupa, David Havasi, Alessandro Troisi
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-5z172
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Protecting Women, Saving Europe: Polish Populist Radical Right Parties, Women MEPs and the Rise of Eastern Femonationalism

, Authors: Aleksandra Polak
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.33774/apsa-2025-p800g
 
Subject: Chemistry
,
Working Paper
, Title:

NMR-Challenge for LLMs: Evaluating Chemical Reasoning in Humans and AI

, Authors: Samiha Sharlin, Fariha Agbere, Kevin Ishimwe, Zuzana Osifová, Ondřej Socha, Martin Dračínský, Tyler Josephson
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-x8h36-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Integration of 2D Prussian Blue and Prussian Blue Analogues into NonVolatile Memristive Devices

, Authors: Ramón Torres-Cavanillas, Hewen Chen, Javier Castells-Gil, Dunia Hidalgo, Maria Arenós-Amat, Christopher S. Allen, Gianluca Fabi, George Ramsay, Eugenio Coronado, Lapo Bogani
Version undefined posted 13 August 2025
Posted
Aug 13, 2025
10.26434/chemrxiv-2025-tn3l1
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of new salt hydration reactions for thermochemical heat storage: from deep-learning predictions to experimental validation

, Authors: Alexander Korotkevich, Noushine Shahidzadeh, Sander Woutersen, Zuzanna M. Czarnobil, Paul Tinnemans, Hugo Meekes, Alberto Pérez de Alba Ortíz
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-1814n
 
Subject: Chemistry
,
Working Paper
, Title:

Interaction-Specific Control over Self-assembly Landscape and Supramolecular Chirality

, Authors: Sayan Bhattacharjee, Triza Pal, Utkarsh Mall, Debangshu Chaudhuri
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-gs7bc
 
Subject: Chemistry
,
Working Paper
, Title:

Direct Aryne Generation from Aryl Halides via Photothermal Red-Light Activation

, Authors: Cristina Preston-Herrera, Rory Devin, Megan Matter, Erin Stache
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-4w6g6
 
Subject: Chemistry
,
Review
, Title:

From QM/MM to ML/MM: A new era in multiscale modeling

, Authors: Juan Santiago Grassano, Ignacio Pickering, Adrian E. Roitberg, Dario A. Estrin, Jonathan A. Semelak
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-lhwt7
 
Subject: Chemistry
,
Working Paper
, Title:

Electron Density Redistribution as a Descriptor for Excited-state Reactivity

, Authors: Cristian Guerra
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-8hn7g-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Universal Approach for Chemical Recycling to Monomers using Photothermally Activated Hierarchically Porous Carbon

, Authors: Yoon-Jung Jang, Mohd Shaharyar Wani, Craig Arnold, Erin Stache
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-cl4ld
 
Subject: Chemistry
,
Working Paper
, Title:

Collision-Induced Unfolding of High-m/z Native-like Protein Ions within a Trapped Ion Mobility Spectrometer

, Authors: Olakunle Akinola, Nicholas Borotto
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-c1thl-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Tracking Trifluoroacetate (TFA) through Time: A 78-Year Record from Archived Wines

, Authors: Finnian Freeling, Ramón Mira de Orduña Heidinger
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-rd6ps-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Restriction-based Configuration Interaction Approach based on LC-DFTB: A Scalable Method for Field-Induced Charge Transfer in Molecular Systems

, Authors: Ji Huang, Tim Kowalczyk, Yoshio Nishimoto, Daisuke Yokogawa
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-sj381
 
Subject: Chemistry
,
Working Paper
, Title:

Mid-Infrared Spectroscopy for the Qualitative and Quantitative Analysis of the Wheat Proteome

, Authors: Dedy Leonardo Nadeak, Michael Wiederstein, Sabine Baumgartner, Elisabeth Reiter, Rudolf Krska, Stephan Freitag
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-dfl0c
 
Subject: Chemistry
,
Working Paper
, Title:

Entry to Sulfonylated Phenanthridines via Strained Cyclic Alcohol/Thianthrenium Salt-Derived Radicals and SO2-capture under Visible-light Photoredox Catalysis

, Authors: Tonish Kumar Sahu, Biswajit Panda, Tabrez Khan
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-zw0mc
 
Subject: Chemistry
,
Working Paper
, Title:

Times are changing but order matters: Transferable prediction of small molecule liquid chromatography retention times

, Authors: Fleming Kretschmer, Eva-Maria Harrieder, Michael Witting, Sebastian Böcker
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2024-wd5j8-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Sequential One-Pot Synthesis of Diverse Functionalized 1,3,5-Triazines via Cyanuric Chloride with Amino Groups and Boronic Acids

, Authors: Shaoren Yuan, Moustafa Gabr
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-3j84j
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing Li growth modes using X-ray nano-tomography

, Authors: Josef Rizell, Victor Vanpeene, Martina Olsson, Jan Jamroz, Valentin Vinci, Olga Stamati, Julie Villanova, Sandrine Lyonnard, Aleksandar Matic
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-wf4wx-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Room Temperature Dinitrogen Cleavage and Hydrogenation with Organometallic Complexes of Uranium

, Authors: Angus Shephard, Lucie Pedussaut, Linda De Marchi, Luca Demonti, Thayalan Rajeshkumar, Nicolas Casaretto, Laurent Maron, Grégory Danoun, Thomas Simler, Gregory Nocton
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-grk3r-v3
 
Subject: Chemistry
,
Working Paper
, Title:

GPT like transformer based conditional molecule generator and a high drug-likeness (QED) dataset generation

, Authors: Wen Xing, Juan Yang
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2024-tq75v-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning the reactivity of g-C3N4 photocatalysts using liquid phase exfoliation

, Authors: Jacob Brown, Irwing Ramirez, Jenny Burt, Nellie Chourmouziadi Laleni, Philip Davies, Luisa Orsini, Jason Stafford
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-q8414
 
Subject: Chemistry
,
Working Paper
, Title:

Developing Joule-heating regeneration of carbon-based adsorbents for Direct Air Capture

, Authors: Kepler Petzall, Benjamin J. Rhodes, Yongqiang Wang, Teedhat Trisukhon, Hari Kukreja, S. Alexandra Lim, Phillip J. Milner, Alexander C. Forse
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-qclfl
 
Subject: Chemistry
,
Working Paper
, Title:

Simplifying the access to FLYRCADOTM: A shorter route for preparing [18F]Flurpiridaz precursors under mild conditions

, Authors: Carlotta Scarponi, Fernando P. Cossio, Jesús Ruiz-Cabello, Ermal Ismalaj
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-0dn0b
 
Subject: Chemistry
,
Working Paper
, Title:

Detection of CRP in Serum with Near-Infrared Fluorescent Sensors

, Authors: Christina Derichsweiler, Jan Stegemann, Julia Ackermann, Svenja Herbertz, Sebastian Kruss
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-n1zkz
 
Subject: Chemistry
,
Working Paper
, Title:

Total synthesis of the branched human milk oligosaccharide lacto-N-neohexaose (LNnH)

, Authors: Dileep Paladugu, Mads Hartvig Clausen, Nikolay Khanzhin
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-drl81-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Complex Influence of Stack Pressure on BiF3 Cathode Materials in All-Solid-State Fluoride-Ion Batteries

, Authors: Hong Chen, Pervin Bal, Oliver Clemens
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-1p97d
 
Subject: Chemistry
,
Working Paper
, Title:

Classical combination frequencies in vibrational spectra

, Authors: Giacomo Botti
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-zhckl
 
Subject: Chemistry
,
Working Paper
, Title:

Dinitrogen Reduction by PCP-supported Titanium Complexes

, Authors: Mark Chadwick, Sara Belazregue, Tobias Kraemer, George Britovsek, Liam Parkin
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-6dwz8
 
Subject: Chemistry
,
Working Paper
, Title:

DNA-programmed bispecific peptide assemblies for delivering cytotoxic payload to cells expressing EGFR and MET receptors

, Authors: Pritam Ghosh, Huyen Dinh, Oliver Seitz
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-l22xp
 
Subject: Chemistry
,
Working Paper
, Title:

Optimizing toward discovery: AI-driven exploration of Lewis acid–base catalysts for PET glycolysis

, Authors: Ye Yu, Zikai Xie, Man Luo, Adam Redfearn, Arianna Brandolese, Chenxi Sheng, Andrew Dove, Xiaolong Zhang, Linjiang Chen, Jun Jiang
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-vbvnx
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic and Mechanochromic Responses of 3D Photonic Nanostructures Subjected to Subsonic Impact

, Authors: Zongling Ren, Jonathan Singer, Jae-Hwang Lee
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-w2wrt
 
Subject: Chemistry
,
Working Paper
, Title:

ZINCKE IMINE-BASED PERIPHERAL EDITING OF 2-ARYLPYRIDINES TO ACCESS C3-ACYLPYRIDINES

, Authors: Piotr Banachowicz, Antoni Powała, Kitti Szabó, Oksana Danylyuk, Dorota Gryko
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-j2248
 
Subject: Chemistry
,
Working Paper
, Title:

Stretching induced crystallization in less entangled rubbers

, Authors: Zefan Wang, Jiale Zeng, Chunbo Zhang
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-w3rn2
 
Subject: Chemistry
,
Working Paper
, Title:

Nanomolar Acoustic Droplet Ejection to Measure Plate Based Chemistry Reactivity Profiles

, Authors: Gary J. Tarver, Ian H. Gilbert, Christopher Bailey, Alex Cookson, Kirsty Cookson, Fraser Hughes, Paul G. Wyatt
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-ps7nn
 
Subject: Chemistry
,
Working Paper
, Title:

AnnoMe: A python package for MS/MS spectra classification

, Authors: christoph bueschl, Tomas Rypar, Lenka Molcanova, Juraj Markus, Bernhard Seidl, Maria Doppler, David Ruso, Christina Maisl, Karel Smejkal, Rainer Schuhmacher
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-k5v51
 
Subject: Chemistry
,
Working Paper
, Title:

Correlative Imaging Captures a Fusion Mechanism as the Origin of Single-Crystals with Multidomain Appearance

, Authors: Hadar Nasi, Maria Chiara di Gregorio, Ifat Kaplan-Ashiri, Katya Rechav, Lothar Huoben, Vlad Brumfeld, Irit Goldian, Sidney R Cohen, Xiao-Meng Sui, Nir Kampf, Linda J. W Shimon, Michal Lahav, Milko van der Boom
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-xczkf
 
Subject: Chemistry
,
Working Paper
, Title:

Can simple exchange heuristics guide us in predicting magnetic properties of solids?

, Authors: Katharina Ueltzen, Aakash A. Naik, Christina Ertural, Philipp Benner, Janine George
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-xj84d
 
Subject: Chemistry
,
Working Paper
, Title:

Realizing Low-Pressure Operation of All-Solid-State Lithium–Sulfur Batteries Enabled by Carbon-Coated Current Collectors

, Authors: Jaehee Park, Jinkwan Jung, Seungbo Yang, Dong Hyeon Kim, Jeong Beom Lee, Jin An Sam Oh, Hedi Yang, Mahadeen Nashiru, Chen-Jui Huang, Ying Shirley Meng
Version undefined posted 14 August 2025
Posted
Aug 14, 2025
10.26434/chemrxiv-2025-shdxv
 
Subject: Chemistry
,
Working Paper
, Title:

Fragmentation of Cyclic Oximes to Alkynes Enabled by Anomeric Amides

, Authors: Michał Ociepa, Diksha Chauhan
Version undefined posted 15 August 2025
Posted
Aug 15, 2025
10.26434/chemrxiv-2025-j62lz
 
Subject: Chemistry
,
Working Paper
, Title:

Transforming MOF Design Paradigms: Data-Driven Insights into MIL-100(Fe) Synthesis for Application-Specific Optimization of Dye Removal Performance

, Authors: Saeid Zahedi Asl, Shayan Abaei, Hosein Alimardani, Mohammadreza Beydaghdari, Fahimeh HooriAbadSaboor, Mehrdad Asgari
Version undefined posted 15 August 2025
Posted
Aug 15, 2025
10.26434/chemrxiv-2025-kxp9x
 
Subject: Chemistry
,
Working Paper
, Title:

Photoaccumulation of Long-lived Reactive Electrons in the Microporous Ti(IV) Oxocluster Based Metal-organic Framework for Light and Dark Photocatalysis

, Authors: Shilin Yao, Katrin Heinzerling, Sam A. J. Hillman, Filip Podjaski, Tianhao He, Alberto García-Baldoví, Yasmine Bagdadi, Khaled Dassouki, Hermenegildo García, Salvador Eslava, Nathalie Steunou, Soranyel Gonzalez-Carrero, Sergio Navalón, Georges Mouchaham, Christian Serre, James R. Durrant
Version undefined posted 15 August 2025
Posted
Aug 15, 2025
10.26434/chemrxiv-2025-h2h2z
 
Subject: Chemistry
,
Working Paper
, Title:

Non-selective charge transfer to metal co-catalysts limits oxygen evolution photocatalysis in cobalt-doped carbon nitrides

, Authors: Sam A. J. Hillman, Menghan Xu, Haijian Tong, Lu Peng, Caiwu Liang, Yuanxing Fang, Christian Mark Pelicano, James R. Durrant
Version undefined posted 15 August 2025
Posted
Aug 15, 2025
10.26434/chemrxiv-2025-3031p
 
Subject: Economics
,
Working Paper
, Title:

From Oil to Sterling: How Commodity Equity Signals Stabilize Currency Volatility in a Post-Crisis Economy

, Authors: houssam boughabi
Version undefined posted 17 August 2025
Posted
Aug 17, 2025
10.33774/coe-2025-dkx44
 
Subject: Chemistry
,
Working Paper
, Title:

Activity of MXene Single Flakes in situ using SECCM

, Authors: Maryam Alihosseini, Samaneh Salek, Joshua Byers, Guillaume Goubert
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-7wpgf
 
Subject: Chemistry
,
Working Paper
, Title:

Silver(I)-Mediated Oxazoline Formation: A Mild Route to 2,4-Oxazoles in Peptides

, Authors: Adam Pickett, Jacob Campbell, Katherine Cox, Zainab Bello, Erin Johnson, Carlie Charron
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-v9n8t
 
Subject: Chemistry
,
Working Paper
, Title:

Cation-Switchable Transposition and Hydrogenation of Alkenes via Interconnected Reaction Mechanisms

, Authors: Jonathan Cobb, Henry Dodge, Zoe Stuart, Elvis Perez Galarza, Shrabanti Bhattacharya, Changho Yoo, Chun-Hsing Chen, Alexander Miller
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-jfl8g
 
Subject: Chemistry
,
Working Paper
, Title:

Electrolyte organization leads to potential-dependence in thermochemical catalysis of nonpolar reactions

, Authors: Thejas S. Wesley, Yuriy Román-Leshkov, Yogesh Surendranath
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-74lnv
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative Host Cell Protein Analysis across Innovator Monoclonal Antibody-Based Protein Therapeutics using the Orbitrap Astral Mass Spectrometer

, Authors: Josh Smith, Aaron Richardson, Corentin Beaumal, Marina Ainciburu, Sara Carillo, Anna Pashkova, Tabiwang Arrey, Nicolaie Eugen Damoc, Colin Clarke, Jonathan Bones
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-x55kq
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing water quality impact on practical on-demand H2 production using porous silicon

, Authors: Sarah Martell, Toren Hynes, Samantha Knight, Anastasiia Kutulska, Mita Dasog
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-zjsrt
 
Subject: Chemistry
,
Working Paper
, Title:

Programmable Assembly of Mechanically Robust and Functional Polymer–Spore Biocomposites in Organic Solvent

, Authors: Masamu Kawada, Ziyu Cui, Justin Chen, Reis Dorit, Jaeho Cho, Seunghyun Sim
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-db7hx
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic C-Demethylation of Phenols and Anilines Enabled by a Removable Mono-Directing Group

, Authors: Congjun Yu, Yibin Xue, Liyan Kan, Linda Yiu, Guangbin Dong
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-r0r7n
 
Subject: Chemistry
,
Working Paper
, Title:

Generative AI-Driven Discovery of Next-Generation Electrolytes for Alkali Metal Batteries

, Authors: Rafiuzzaman Pritom, Md Mahbubul Islam
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-5dfpj
 
Subject: Chemistry
,
Working Paper
, Title:

Nitrogen-Doped Borane Cluster Network for High-Performance Supercapacitors under Universal pH Conditions

, Authors: Abhishek Udnoor, Samikannu Prabu, Madhan Vinu, Matouš Kloda, Andrii Mahun, Libor Kobera, Michael G. S. Londesborough, Kung-Yuh Chiang, Jan Demel
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-3xk3s
 
Subject: Chemistry
,
Working Paper
, Title:

Hyper–Micro/NanoStructures and SuperHyper–Micro/NanoStructures: A Unified Framework for Multi-Scale Structural Modeling

, Authors: Takaaki Fujita
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-8d07j
 
Subject: Chemistry
,
Working Paper
, Title:

Photo-induced N-Center Radical Catalyzed Direct Hydrogen Atom Transfer Platform for Aliphatic C–H Functionalization

, Authors: Boya Feng, Mattia Lepori, Michał Domański, Prakash C. Tiwari, Guodong Zhang, Timothy Noël, Joshua Philip Barham
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-r2760
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the Unusual Optical Rotation and Photophysical Properties of a Meisenheimer Complex

, Authors: TANMAY DAS, Mrittika Mohar
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-pqzgw
 
Subject: Chemistry
,
Working Paper
, Title:

A Versatile Strategy for Light-driven Active Transport of Ions

, Authors: Sani Yahaya, Shuntaro Amano, Federico Nicoli, Giulio Ragazzon
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-z2s7r
 
Subject: Chemistry
,
Working Paper
, Title:

Reaction-based Ratiometric Sensors for Simultaneous Multi-Bio-Analyte Imaging in Living Cells Using Spontaneous Raman Scattering

, Authors: Sujit Kumar Das, Heqi Xi, Itsuki Yamamoto, Katsumasa Fujita, Ankona Datta
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-j5k0s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of a New Polymorph, κ-form of Indomethacin

, Authors: Yuna Shimazaki, Hiroshi Ueda, Takashi Kikuchi, Yusuke Nishiyama, Toshiro Fukami
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-hb6q3
 
Subject: Chemistry
,
Working Paper
, Title:

Capturing Electron Correlation with Machine Learning through a Data-Driven CASPT2 Framework

, Authors: Grier Jones, Konstantinos Vogiatzis
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-dl4sb
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced MOF performance in chromium (VI) removal from water using tailored MOF-polymer composites

, Authors: Timo M. O. Felder, Wei Shi, Daniel T. Sun, Till Schertenleib, Emad Oveisi, Jordi Espín, Wendy L. Queen
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-ztgnr
 
Subject: Chemistry
,
Working Paper
, Title:

Ab initio Simulations of Dynamics of EMI-BF4 Ionic Liquid Propellant Used in Electrospray Thrusters for Nanosatellite Applications

, Authors: George Baffour Pipim, Kevin Sampson, Jose Torres, Noah Tingey, Kylar Flynn, Daniel Depew, Joseph Wang, Anna Krylov
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-wsw0l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electrodeposited Functional Coatings for On-Demand Electro-Responsive Drug Release and Cell Shape Transformation

, Authors: Sanjana Auditto, Riccardo Carzino, Maria Summa, Michele Oneto, Marco Scotto, Niloofar Paknezhad, Simone Lauciello, Paolo Bianchini, Rosalia Bertorelli, Athanassia Athanassiou
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-wmmtw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Bactericidal activities of copolymers incorporating formylphenyl motif for targeting surface proteins

, Authors: Esteban Bautista, Melody Sun, Michael Colwin, Albert R. La Spada, Seunghyun Sim
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-qv01g
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning–Accelerated Design of Near-Infrared TADF Emitters Beyond Conventional Scaffolds

, Authors: Nikhitha R, Anirban Mondal
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-7lkh7
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorine-Free Li-Ion Battery Features Comparable Cycling Performance to a Highly-Fluorinated Equivalent

, Authors: Saeed Mardi, Andrew J. Naylor, Jonas Mindemark, Guiomar Hernández
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-chjp9
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid imaging of pulmonary metastasis from colorectal cancer with a red fluorescence probe targeting puromycin-sensitive aminopeptidase and dipeptidyl peptidase IV

, Authors: Kimihiko Kobayashi, Kyohhei Fujita, Ryosuke Kojima, Rumi Hino, Yasuteru Urano, Masaaki Sato
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-fzfpl
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Enhanced Molecular Dynamics of 4,4'-Bipyridine in a Break Junction: A Supramolecular Origin of the High Conductance

, Authors: William Bro-Jørgensen, Junfeng Lin, Joseph M. Hamill, Gemma C. Solomon
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-wt6rd
 
Subject: Chemistry
,
Working Paper
, Title:

The Artificial Intelligence Guided Search for New CHIPs Comonomers

, Authors: Maliheh Shaban Tameh, Veaceslav Coropceanu, Thomas Purcell
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-kp25m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Analytic Dipole Moments For Complete Active Space Linearized Pair-Density Functional Theory

, Authors: Helen Clifford, Matthew Hennefarth, Donald Truhlar, Laura Gagliardi
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-dksr2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Biomimetic Pore Engineering in Two-Dimensional Covalent Organic Frameworks

, Authors: Niyati Arora, Jessica Arcudia, Chamila Bandara, Katarzyna Drewniak, Sumon Chakrabarty, Rebecca Johnson, Noora Al-Kharji, Andrés Cisneros, Ronald Smaldone
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-6ql5w
 
Subject: Chemistry
,
Working Paper
, Title:

GHG and financial implications of industrial organic carbon valorization on centralized municipal water resource recovery facilities

, Authors: Saumitra Rai, Xinyi Zhang, Natasha Wright, William Arnold, Paige Novak, Jeremy Guest
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-t3ft3
 
Subject: Chemistry
,
Working Paper
, Title:

Mutual enrichment of the (photo)chemistry of sydnones and diarylethenes in their hybrids

, Authors: Anna Faizdrakhmanova, Vladimir Kharitonov, Yulia Nelyubina, Igor Ushakov, Aleksandra Vidyakina, Natalia Danilkina, Dmitry Loginov, Andrey Lvov
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-n4l6z
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating C4 and diphenyl columns for top-down analysis of endogenous histone proteoforms and larger proteins

, Authors: Fabio Gomes, Kanchan Pathak
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.26434/chemrxiv-2025-r0j5p
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Lone Wolf’s Pack: Strategic Disaggregation in White Supremacist Terror

, Authors: Shea Minter
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.33774/apsa-2025-vnl8r
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Resolving Political Conflict Through Continuous Improvement: The PEACE Framework as a Strategic Model for Sustainable Peacebuilding

, Authors: SENTHILKUMAR ANANTHARAMAN
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.33774/apsa-2025-fd6gn
 
Subject: Politics and International Relations
,
Working Paper
, Title:

China’s Health Diplomacy and Soft Power Play in Chile and Argentina: A Cross-Country Comparison

, Authors: Hoi Kee Tsang
Version undefined posted 18 August 2025
Posted
Aug 18, 2025
10.33774/apsa-2025-pgkhj
 
Subject: Chemistry
,
Working Paper
, Title:

Critical Composition Window for Co–P Bulk Metallic Glasses Revealed by Machine-Learned Interatomic Potentials

, Authors: Md Sharif Khan, Bourgeois Gadjagboui, Oliviero Andreussi
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-vl9mj
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling Aggregation-Induced Emission by Sterics in Nitrogen–Boron–Nitrogen (NBN)-Doped Tetraphenylethylene-Like Molecular Propellers

, Authors: Nico Groß, Bojan Tanovic, Frank Hampel, Henry Dube, Ani Ozcelik
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-r2f6k
 
Subject: Chemistry
,
Working Paper
, Title:

Two-Hit Hypothesis: Digital Liver Modeling and Multi-Omics Reveal Mitochondrial and Lipid Metabolic Dysregulation in PM2.5-Induced Liver Fibrosis

, Authors: Hiu-Lok Ngan, Jialing Zhang, Yi Chen, Yuanyuan Song, Zenghua Qi, Zhu Yang, Hong Yan, Zongwei Cai
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-ggmsg
 
Subject: Chemistry
,
Working Paper
, Title:

PolyMetriX: An Ecosystem for Digital Polymer Chemistry

, Authors: Sreekanth Kunchapu, Kevin Maik Jablonka
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-s2f2r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Ion Sensing based on Frequency-Dependent Physico-Chemical Processes at Electrode/Electrolyte Interfaces

, Authors: Amir Mohseni Armaki, Yaqi Guo, Majid Ahmadi, Roan Streefland, Patrick S. Bäuerlein, Arjan Mol, Sidhant Kumar, Peyman Taheri
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-mcm8g-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Intermolecular Charge Transfer in Covalent Organic Frameworks for Photocatalytic Hydrogen Peroxide Generation

, Authors: Pradip Pachfule, Avanti Chakraborty, Uttam Pal, Sonali Priyadarshini Swain, Sudipa Mondal, Akhtar Alam, Tanusri Saha-Dasgupta
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-53dhs
 
Subject: Chemistry
,
Working Paper
, Title:

Four-Step Total Synthesis of (±)-Leucolusine and (±)-7-epi-Leucolusine – A Preliminary Report

, Authors: Alex Szyperek, Sudchananya Udomphan, Qiyun Xue, John Carbone, Zoe Katz, Max Majireck
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-1r7rt
 
Subject: Chemistry
,
Review
, Title:

Machine Learning Intermolecular Electronic Couplings: Opportunities and Challenges

, Authors: Chun-I Wang, Aidan Lindsay, Nicholas Jackson
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-w0q5r
 
Subject: Chemistry
,
Working Paper
, Title:

Assigning the Stereochemistry of Natural Products by Machine Learning

, Authors: Markus Orsi, Jean-Louis Reymond
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2024-zz9pw-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Graphitic C6N6-supported Dual Cu/Zn SAzymes Mimicking Allosteric Regulation for Intelligent Switching Biosensing

, Authors: Qing Hong, Yuanjie Ma, Caixia Zhu, Kaiyuan Wang, Hong Yang, Kaiqing Wu, Yanfei Shen, Songqin Liu, Xuejiao J. Gao, Yuanjian Zhang
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2024-8h98c-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Development of Efficient Kumada Catalyst-Transfer Polymerizations: A Rapid Injection NMR Study

, Authors: Seokmin Kang, Wentao Cen, Jeanette Piña, Fernando Ramirez, Andy Thomas
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-wv3gr
 
Subject: Chemistry
,
Working Paper
, Title:

A chemical-genetic approach to target voltage-sensitive fluorophores to mitochondria

, Authors: Julia Martin, Tong Zhan, Deshka Neill, Ke Xu, Evan Miller
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-qh3lh
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Supervised Deep-Learning Denoising for X-Ray Fluorescence Microscopy with Multi-Element Detectors

, Authors: Rodion Shishkov, Alfred Laugros, Nicola Vigano, Sylvain Bohic, Dmitry Karpov, Peter Cloetens
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-lsxpc
 
Subject: Chemistry
,
Working Paper
, Title:

Iron Photocatalysis Towards Site-Selective C(sp3)-H Alkylation of Glycines and Peptides

, Authors: Satya Prakash Panda, M. Siva Prasad, Prahallad Meher, Oliver Reiser, Sandip Murarka
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-n7c2s
 
Subject: Chemistry
,
Working Paper
, Title:

Structural adaptation in a cadmium-porphyrin MOF through solvent-driven change of interpenetration

, Authors: Michelle Ernst, Tomasz Poręba
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-cm0p1
 
Subject: Chemistry
,
Working Paper
, Title:

ReactionSeek: LLM-Powered Literature Data Mining and Knowledge Discovery in Organic Synthesis

, Authors: Jiawei Li, Minzhou Li, Qi Yang, Sanzhong Luo
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-t110q
 
Subject: Chemistry
,
Review
, Title:

Multiplexed RNA imaging and in situ profiling in living cells

, Authors: Lan Mi, Sima Khajouei, Mingxu You
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-m950n
 
Subject: Chemistry
,
Working Paper
, Title:

Fluorothiazynes as SuFEx Ambiphiles: Interconversion to Aminosulfurdiimidoyl Fluorides

, Authors: Kexin Su, Luc Van Meervelt, Steven H. L. Verhelst, Wim M. De Borggraeve, Joachim Demaerel
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-t7vsj
 
Subject: Chemistry
,
Working Paper
, Title:

Unlocking the scale-up of the benchmark MOFs MIL-53(Al)’s

, Authors: Shyamapada Nandi, Debanjan Chakraborty, Ayoub Daouli, Iurii Dovgaliuk, Nicolas Heymans, Ieuan Cornu, Pierre Florian, Guy De Weireld, Guillaume Maurin, Farid Nouar, Georges Mouchaham, Christian Serre
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-1n62k
 
Subject: Chemistry
,
Working Paper
, Title:

Expert-Guided LLM Approach for Sequence-Aware Extraction of MOF Synthesis

, Authors: Xintong Zhao, Jair Fernando Fajardo Rojas, Jacob Furst, Katherine Ardila, Kyle Langlois, Yuan An, Xiaohua Hu, Fernando Uribe-Romo, Diego Gomez-Gualdron, Jane Greenberg
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-x90hc
 
Subject: Chemistry
,
Working Paper
, Title:

UniDock-Pro: A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening

, Authors: Boyang Ni, Douglas Houston
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-bf5g7
 
Subject: Chemistry
,
Presentation
, Title:

Henry Sorby (1826-1908), the Spectrum Microscope, and Spectra of Various Biological Materials

, Authors: Ian M. Davis
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.33774/coe-2025-fnqqm
 
Subject: Mathematics
,
Working Paper
, Title:

Fermat's Last Theorem 6th Way

, Authors: Taha Muhammad
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.33774/coe-2025-jnl7n
 
Subject: Mathematics
,
Working Paper
, Title:

Fermat's General Case 6th Way

, Authors: Taha Muhammad
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.33774/coe-2025-h5x04
 
Subject: Mathematics
,
Working Paper
, Title:

Fermat's General Case 4th Way

, Authors: Taha Muhammad
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.33774/coe-2025-5v8bn
 
Subject: Mathematics
,
Working Paper
, Title:

Fermat's Last Theorem 4th Way

, Authors: Taha Muhammad
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.33774/coe-2025-q0k0m
 
Subject: Music
,
Working Paper
, Title:

Analysing Charles Ives's Central Park in the Dark: A Kaleidoscopic Perspective

, Authors: Dafina Zeqiri Nushi
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.33774/coe-2025-5c3kh
 
Subject: Economics
,
Working Paper
, Title:

Inflation Persistence and Involuntary Unemployment in Pakistan: A Keynesian Econometric Study

, Authors: houssam boughabi
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.33774/coe-2025-x9qcs
 
Subject: Chemistry
,
Working Paper
, Title:

Stability of radicals derived from oxygen-containing compounds detected in thermally unstable jet fuels

, Authors: Gloria Bazargan, Mark Romanczyk, Kate Fachet
Version undefined posted 19 August 2025
Posted
Aug 19, 2025
10.26434/chemrxiv-2025-8gwm3
 
Subject: Chemistry
,
Review
, Title:

Pseudo-panspermia of Phosphorus species on the Early Earth

, Authors: Tian Feng, Asbel Gonzalez, Benjamin Mayfield, Aubrey Wright, Michael Gaylor, Willis Jones, Eirin McBride, Arthur Omran
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-xvktb
 
Subject: Chemistry
,
Working Paper
, Title:

Note for Molecular Line SuperHyperGraphs and Iterated Line SuperHyperGraphs

, Authors: Takaaki Fujita
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-nrfxz
 
Subject: Chemistry
,
Working Paper
, Title:

In Silico Design of Blinatumomab: A conventional Bispecific T Cell Engager for Targeted Immunotherapy

, Authors: Nisarg Shah, Gargi Sharma, Vihaan Patel, Gia Bao Le, Melinda Wu, Anishreddy Mummadi, Anya Taneja, Moksh Shah, Madhav Krishna, Harman Brah
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-25vw8-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular MultiGraph and Molecular Iterative MultiGraph

, Authors: Takaaki Fujita
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-lz3s7
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Non-haem Enzymes for Nickel-Catalyzed C(sp2)‒S Coupling via Ligand-to-Metal Charge Transfer Photocatalysis

, Authors: Xiongyi Huang, Xiuze Wang, Xiahe Chen, Guoxiong Xu, Jared Paris, Yuqi Song, Yuxuan Su, James Zhang, Xin Hong, Marc Garcia-Borràs, Arthur Bragg, Yisong Guo, Yunfang Yang
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-h81hq
 
Subject: Chemistry
,
Working Paper
, Title:

Single-crystalline Poly(disulfide)s Enabled by Photo-Triggered Topochemical Ring-Opening Polymerization of an 1,2-Dithiolane

, Authors: Zhengbin Zhu, Xiaoming Li, Ling Liu, Yikai Xu, Da-Hui Qu, He Tian, Qi Zhang
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-0xscj
 
Subject: Chemistry
,
Working Paper
, Title:

Bulky phosphine ligands promote palladium-catalyzed protodeboronation

, Authors: Cher Tian Ser, Han Hao, Sergio Pablo-García, Kjell Jorner, Shangyu Li, Robert Pollice, Alán Aspuru-Guzik
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2024-cw8cs-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Improving ADME Property Predictions by Integrating Public and Proprietary Data

, Authors: Peer Schliephacke, Daniel Kuhn, Lukas Friedrich
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-7sbr0
 
Subject: Chemistry
,
Working Paper
, Title:

Independent tuning of exciton g-factors and electric dipole moments in twisted MoS2/WS2 heterostructures

, Authors: Wei Li, Gautam Jha, Thomas Brumme, Thomas Heine
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2023-g6v5r-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Hidden Structural Colors from Bistable, Electrically Driven COF Photonic Assemblies for Secure Optical Encoding

, Authors: Tolga Zorlu, Flora Schoefbeck, Daoming Sun, Julian Lemmel, Tanja Eder, Michael Reithofer, Jia Min Chin
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-pvcb7
 
Subject: Chemistry
,
Working Paper
, Title:

Targeted histone deacetylase degradation via chemical induced proximity by direct recruitment of the CUL4 complex adaptor protein DDB1

, Authors: Shiyang Zhai, Nicola Willemsen, Tao Sun, Mateo Malenica, Shixin Deng, Matthias Geyer, Finn Kristian Hansen
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-1bqnv
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Design of Artificial Metallopeptides: From Sequence to Activity in Pd-Peptide Systems

, Authors: Anton Domnin, Yaroslav Solovev, Denis Syrko, Andrey Golovin, Robert Evarestov, Mikhail Polynski
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-5cwg6
 
Subject: Chemistry
,
Working Paper
, Title:

ParametrizANI: Fast, Accurate, and Free Parametrization for Small Molecules

, Authors: Pablo R. Arantes, Souvik Sinha, Giulia Palermo
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-m26n9
 
Subject: Chemistry
,
Working Paper
, Title:

Stable BF₂ Boracycles as Versatile Reagents for Selective Ortho C–H Functionalization

, Authors: Ganesh Shinde, Jonatan Babiker, Anaïs Prigent, Gauthier Foucras, Francoise M. Amombo Noa, Magnus J Johansson,, Henrik Sundén, Thomas Cailly
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-53g4l
 
Subject: Chemistry
,
Working Paper
, Title:

Idler Compounds: A Simple Protocol for Openly Sharing Fridge Contents for Cross-Screening

, Authors: Rebecka Isaksson, Eve Carter, Charlotte Hind, J. Mark Sutton, Hazel Rudgyard, Adam H. Roberts, Christopher W. Moon, Yinuo Wang, Todd Group Researchers, Sandra Codony, Antón L. Martínez, Joanna Bacon, Matthew H. Todd
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-nqjb4
 
Subject: Chemistry
,
Working Paper
, Title:

Empirical Benchmarking of PID, MPC, and Neural Network Controllers Using Industrial Process Simulation Data

, Authors: MOHD REDZUAN MOHD SOFIAN
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-s52dj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Host-guest design for stretchable light-emitting polymers reaching an EQE of 20%

, Authors: Cheng Zhang, Wei Liu, Zhiming Zhang, Heyi Liang, Naisong Shan, Riccardo Alessandri, Benjamin Diroll, Bowen Li, Glingna Wang, Tianda Fu, Junyi Yin, Wonbeom Lee, Yang Li, Ruizhe Yang, Peijun Guo, Juan de Pablo, Sihong Wang
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-h2k0p
 
Subject: Chemistry
,
Working Paper
, Title:

Evaluating MS-ANI vs. SS-ANI for Surface Hopping Simulations: A Cyclohexadiene Photochemical Ring-Opening Case Study

, Authors: Biman Medhi, Madhab Morang, Manabendra Sarma
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-6m8l9
 
Subject: Chemistry
,
Working Paper
, Title:

Outer-Sphere Tuning of Synthetic Iron-Sulfur Clusters by Molecular Cage Assemblies

, Authors: Rupal Baliyan, Gwendolyn Bailey
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2024-vk5d3-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Scalable Low-Energy Molecular Conformer Generation with Quantum Mechanical Accuracy

, Authors: Filipp Nikitin, Dylan M. Anstine, Roman Zubatyuk, Saee Gopal Paliwal, Olexandr Isayev
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-k4h7v
 
Subject: Chemistry
,
Working Paper
, Title:

B3clf: A Resampling-Integrated Machine Learning Framework to Predict Blood-Brain Barrier Permeability

, Authors: Fanwang Meng, Jitian Chen, Juan Samuel Collins-Ramirez, Paul W. Ayers
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-xschc
 
Subject: Chemistry
,
Working Paper
, Title:

General Access to Chiral Piperidines via Enantioselective Catalytic C(sp3)-H Oxidation using Manganese Catalysts

, Authors: Sethuraman Muthuramalingam, Arnau Call, Quentin Lefebvre, Matthew S. Sigman, Miquel Costas
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-3l55k
 
Subject: Chemistry
,
Working Paper
, Title:

Hydrothermal-based Wastewater Solids Management for Targeted Resource Recovery and Decarbonization in the Contiguous U.S.

, Authors: Jianan Feng, Timothy Strathmann, Jeremy Guest
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-qfxwd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Efficient Monte Carlo Simulation of Faceted Nanoparticles Using Analytical Interaction Potentials

, Authors: Safak Callioglu, Quanpeng Yang, Yuanchuan Shao, Brian H Lee, Gaurav Arya
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-kwkm7
 
Subject: Chemistry
,
Working Paper
, Title:

Computational and Experimental Analysis of Structural and Thermophysical Properties of LiX-KX (X = Chloride, Iodide, or Bromide) Molten Salts

, Authors: Linu Malakkal, Maria Del Rocio Rodriguez-Laguna, Jarin French, Mathew M. Swisher, Benjamin Beeler, Gregory P. Horne, Ruchi Gakhar
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-0p160
 
Subject: Chemistry
,
Working Paper
, Title:

Low-energy and simple synthesis of individualized cationic pH-responsive tertiary-aminated cellulose nanofibers and chitin nanocrystals by mechanochemistry and aging

, Authors: Galen Yang, Yuka Tomita, Austin Richard, Shuji Fujisawa, Edmond Lam, Tsuguyuki Saito, Audrey Moores
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-31rbw
 
Subject: Chemistry
,
Review
, Title:

Exploring the Core Concepts of Quantum Chemistry: A Comprehensive Review

, Authors: Yilin Zhao, Paul Ayers
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-cqfdq
 
Subject: Chemistry
,
Working Paper
, Title:

Systematic Bottom-Up Coarse-Graining of Hydrated Excess Proton Transport Across Scales

, Authors: Jaehyeok Jin, Zhefu Li, Gregory Voth
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-4dh7m
 
Subject: Chemistry
,
Working Paper
, Title:

Profiling Acrylamide Levels in Street-Vended and Fast Foods from Indian Culinary Practices

, Authors: Glory Prakash, Sarah Mariam Vino, Pranathi GS, Asha C.H., Athavan Alias Anand Selvam
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-4qhmg
 
Subject: Chemistry
,
Working Paper
, Title:

In operando EPR and NMR cell for correlative characterisation of battery electrodes

, Authors: Beatrice Wolff, P. Philipp M. Schleker, Heinrich Ditler, Christiane Rahe, Thilo Hetzke, Peter Jakes, Rüdiger-A. Eichel, Josef Granwehr
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-g1sv5
 
Subject: Chemistry
,
Working Paper
, Title:

FC2DES+HT: Including Herzberg-Teller effects in the simulation of 2D electronic spectra for harmonic Hamiltonians

, Authors: Luke Allan, Tim Zuehlsdorff
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-g6ph8
 
Subject: Chemistry
,
Working Paper
, Title:

Chemically Circular Poly(orthoester) Elastomers via Immortal Cationic Ring-Opening Polymerization

, Authors: Zohaib Siddiqi, Brooks Abel
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-sl45s
 
Subject: Chemistry
,
Working Paper
, Title:

A Trifunctional Smart N-Heterocyclic Carbene System Integrates Molecular Switch, Catalysis, and Luminescence

, Authors: Manas Kumar Mondal, Runbo Pei, Shanshan Kong, Quanchun Sun, Liancheng He, Xinping Wang
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-ckn6n
 
Subject: Chemistry
,
Working Paper
, Title:

Condensate-enhanced catalytic photo-oxygenation for early intervention in tau amyloidosis

, Authors: Wataru Atsumi, Yuma Takeuchi, Shigehiro Kawashima, Motomu Kanai
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-r5qm4
 
Subject: Chemistry
,
Working Paper
, Title:

Distilling System Complexity to Enable Unbiased and Predictive Computational Reaction Investigations

, Authors: Raphaël Robidas, Claude Y. Legault
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-c6rxp-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Ion Exchange Mediates the Voltage of Bipolar Membranes in Impure Electrolytes

, Authors: Thomas Y. George, Paige Brimley, Jacob Wrubel, Wilson Smith, Michael Aziz
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-w44tj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-activity relationship of Cu(II) and Pd(II) thiosemicarbazone complexes with anticancer and antibacterial properties

, Authors: Bartlomiej Rogalewicz, Magdalena Iwan, Marcin Świątkowski, Mariola Michalczuk, Joanna Kubik, Ewelina Humeniuk, Agnieszka Korga-Plewko, Monika Pitucha, Tomasz Boruta, Sylwia Ścieszka, Edyta Kordialik-Bogacka, Agnieszka Czylkowska
Version undefined posted 20 August 2025
Posted
Aug 20, 2025
10.26434/chemrxiv-2025-p1fdc
 
Subject: Chemistry
,
Working Paper
, Title:

π-Conjugated Blatter Radicals: Molecular Structure-Driven Modulation of Optoelectronic Properties and Electrical Conductivity

, Authors: Saurabh K Rajput, Rajwinder Kaur, Monika Yadav, Abantika Sahoo, Victor Chechik, Pralok K Samanta, Prakash C Mondal, Venkata Suresh Mothika
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-qwnzh
 
Subject: Chemistry
,
Working Paper
, Title:

A Highly Specific Monoacylglycerol Lipase PROTAC Probe

, Authors: Axel Hentsch, Mirjam C. W. Huizenga, Yelena Mostinski, Yannick Boer, Tamara Ilioska, Mónica Guberman, Bogdan I. Florea, Joel Rüegger, A. Floor Stevens, Daan van der Vliet, Matthias B. Wittwer, David Schaller, Björn Wagner, Achi Haider, Andreas Topp, Dominik Heer, Remo Hochstrasser, Jörg Benz, Julie Blaising, Szabolcs Dvorácskó, Uwe Grether, Mario van der Stelt, Marc Nazare
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-sv2vx
 
Subject: Chemistry
,
Working Paper
, Title:

New Insights into how Electrolyte pH affects the Oxygen Reduction Reaction

, Authors: Jay Bender, Rohan Sanspeur, Nicolas Bueno Ponce, Angel Valles, Alyssa Uvodich, Delia Milliron, John Kitchin, Joaquin Resasco
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-qg2sr
 
Subject: Chemistry
,
Working Paper
, Title:

Interface-Protected Subsurface Vacancies for Room-Temperature Sub-ppm SO2 and NO2 Detection in MoS2, MoSe2, and MoTe2 via Electron Irradiation

, Authors: Maciej J. Szary
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-p77fp
 
Subject: Chemistry
,
Working Paper
, Title:

Identification of TBK1 inhibitors using a combination of pharmacophore- and machine learning-based approaches

, Authors: Tanuj Sharma, Venu Venkatarame Gowda Saralamma, Yun Seong Jo, Chang Joong Kim, Mohammad Hassan Baig, Shozeb Haider, Jae-June Dong
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-l6kff
 
Subject: Chemistry
,
Working Paper
, Title:

MITE: the Minimum Information about a Tailoring Enzyme database for capturing specialized metabolite biosynthesis

, Authors: Adriano Rutz, Daniel Probst, César Aguilar, Daniel Y. Akiyama, Fabrizio Alberti, Hannah E. Augustijn, Nicole E. Avalon, Christine Beemelmanns, Hellen Bertoletti Barbieri, Friederike Biermann, Alan J. Bridge, Esteban Charria Girón, Russell Cox, Max Crüsemann, Paul M. D'Agostino, Marc Feuermann, Jennifer Gerke, Karina Gutiérrez García, Jonathan Holme, Ji-Yeon Hwang, Riccardo Iacovelli, Júlio César Jeronimo Barbosa, Navneet Kaur, Martin Klapper, Anna M. Köhler, Aleksandra Korenskaia, Noel Kubach, Byung T. Lee, Catarina Loureiro, Shrikant Mantri, Simran Narula, David Meijer, Jorge C. Navarro-Muñoz, Giang-Son Nguyen, Sunaina Paliyal, Mohit Panghal, Latika Rao, Simon Sieber, Nika Sokolova, Sven T. Sowa, Judith Szenei, Barbara Terlouw, Heiner G. Weddeling, Jingwei Yu, Nadine Ziemert, Tilmann Weber, Kai Blin, Justin J. J. van der Hooft, Marnix H. Medema, Mitja M. Zdouc
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2024-78mtl-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Phyto-Fabrication of Zinc Oxide Nanoparticles Using Senna occidentalis: Comprehensive Characterization, Phytochemical Profiling, and Antimicrobial Assessment

, Authors: Ojochenemi Nora Unuata, Prof. Oluwatosin Kudirat Shittu, Prof. Jimoh Oladejo Tijani, Hassan Abdulsalam Adewuyi
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-9kmtp
 
Subject: Chemistry
,
Working Paper
, Title:

Air-Stable N-Heterocyclic Carbene Functionalised Copper-Gold Core-Shell Nanoparticles for CO2RR Catalysis

, Authors: Monnaya Chalermnon, Robert Richstein, Janine Lichtenberger, Domenico Grammatico, Lingcong Ge, Rachmat Adhi Wibowo, Jia Min Chin, Michael R. Reithofer
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-l8bdj
 
Subject: Chemistry
,
Review
, Title:

Nutrient Separations Systems: Current Progress and Future Opportunities

, Authors: Hyuck Joo Choi, Mohammad Tahmid, Luisa Barrera, Christian Alvarez Pugliese, Danae Haro Chipoco, Dylan Weber, Wilfredo Cardona Velez, Bengu Mete, Dayana Donneys, Zhengwen Zhang, Victor Lim, Olatunde Akanbi, Jacob Hostert, Archer Montgomery, Divya Ganesan, Erika Barcelos, Jie Xu, Joseph Scott, Geradine Botte, Kayleigh Millerick, Chris Yuan, Julie Renner, Roger French, Marta Hatzell
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-8ghrd
 
Subject: Chemistry
,
Working Paper
, Title:

4-tert-Butylpyridine Coordination to Alkylammoniums in Perovskites

, Authors: Naoyuki Nishimura, Yoyo Hinuma, Hiroyuki Kanda, Takurou N. Murakami
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-s4r26
 
Subject: Chemistry
,
Working Paper
, Title:

Computational Study on Data Integration in Chiral Catalyst Design: Case Study Using Michael Addition Reactions

, Authors: Shigeru Yamaguchi
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-qg5z5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Expedient Synthesis of 1-Oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylates

, Authors: Vitaliy A. Bilenko, Viktor Huliak, Serhii Kinakh, Ryan A. Inwood, Thomas Stowe, Elvis J. M. Maduli, Brian Broadbelt, Rosemary H. Crampton, Ed J. Griffen, Tetiana Matviiuk, Igor V. Komarov, Oleksandr Grygorenko
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-8t4jq
 
Subject: Chemistry
,
Working Paper
, Title:

Quest for high-performance phenolic fluorophores: synthesis, photophysical properties and practical Hg(II) sensing applications of a rigidified phenolo-merocyanine dye

, Authors: Kévin Renault, Zuzana Pohancenikova, Maël Croizier, Vincent Gaumerd, Manhattan Lebrun, Michel Chalot, Anthony ROMIEU
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-29w88
 
Subject: Chemistry
,
Working Paper
, Title:

Skeletal Editing of Pyridines to Thiophene-2-carbaldehydes

, Authors: Cong Lv, Shenxiang Wang, Yonglin Shi, Meixin Yan, Jing Zhang, Yufeng Wan, Shun Li, Dexi Yang, Shunyao Huang, Jiangui Zhao, Weichao Xue, Jiaqi Xu, Xueli Zheng, Ruixiang Li, Hua Chen, Haiyan Fu
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-3nwzh
 
Subject: Chemistry
,
Working Paper
, Title:

Promoting Selective Electrochemical CO2 Reduction Under Unconventionally Acidic Conditions Through Secondary Coordination Sphere Positioning

, Authors: Kaeden Teindl, Jolene Reid, Eva Nichols
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-h72dl
 
Subject: Chemistry
,
Working Paper
, Title:

Is the culinary effect of curry leaves hampered by pesticide residues? – a case study

, Authors: Abdullah Siddiqui, Ahmed Abdulla Salem Abdulla Zanki, Ahmed Awadh Hatem Al Muharrami, Premanandh Jagadeesan
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-l6z5n
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of Carbonyl Group Incorporation in Semicrystalline High-Density Polyethylene

, Authors: Afiq Anuar, Arman Edalat, Lea Ringelhan, Qiang Yu, Maximilian Baur, Albrecht Petzold, Thomas Thurn-Albrecht, Stefan Mecking, Kay Saalwächter
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-5hddm
 
Subject: Chemistry
,
Working Paper
, Title:

Antibacterial Properties of Heteronium Lignin Containing Materials Against ESKAPE Pathogens

, Authors: Mahendra Kothottil Mohan, Olga Bragina, Sofija Mosjakina, Jean-Manuel Raimundo, Yevgen Karpichev
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-zmlgw-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Fully invisible and unperceivable skin electrodes for facial physiological monitoring free from appearance artifacts

, Authors: Yijun Liu, Soutaro Ito, Takeo Kato, Liren Wang, Yicheng Zhu, Séverine De Mulatier, Hiroshi Arao, Shugo Suwazono, Hirotoshi Asano, Yuanyuan Zhou, Hinata Mitomo, Huimin Gong, Ohga Nomura, Gakuto Kagawa, Natsumi Watanabe, Mohammad H. Behfar, Yusuke Sugano, Hidetoshi Takahashi, Makoto Asai, Jiheong Kang, Naoji Matsuhisa
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-tbtx6
 
Subject: Chemistry
,
Working Paper
, Title:

Data-Efficient Equivariant NNPs Enable DFT-Accurate Simulations and Solvation Free Energies

, Authors: Esma Mutlu, Selonou Kankinou, Omer Tayfuroglu, Abdulkadir Kocak
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-w4216
 
Subject: Chemistry
,
Working Paper
, Title:

An 18-porphyrin nanoring at the size limit for global aromaticity

, Authors: Jake Holmes, Henrik Gotfredsen, Lene Gödde, Janko Hergenhahn, Kavita Rani, Keigo Yamada, Jieren Deng, Liv Warwick, Michael Clarke, Matthew Edmondson, James O'Shea, Alexander Saywell, Harry Anderson
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-hchwd
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Three-Component Synthesis of Vinyl Sulfonamides via Decarboxylative Sulfonylation of Cinnamic Acids

, Authors: Po-Chung Chien, Harald Kelm, Georg Manolikakes
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-gsqzx
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical Generation and Characterization of Alanine Imine: A Key Intermediate in Prebiotic Amino Acid Formation

, Authors: Vladimir Drabkin, Christian Thiehoff, Maria Eugenia Sandoval-Salinas, Viktor Paczelt, Rachel Crespo-Otero, André K. Eckhardt
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-wk0fr
 
Subject: Chemistry
,
Working Paper
, Title:

Degradation Analysis and Thermal Behavior of Ni-rich Cathodes at High Cutoff Voltages with Fluorine-Free Electrolytes

, Authors: Saeed Mardi, Emil Tronde, Guiomar Hernández
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-hgc2v
 
Subject: Chemistry
,
Working Paper
, Title:

Autodesmotic Reactions: Toward a General Approach for Strain Energy Evaluation in Polycyclic Aromatic Nanocarbons

, Authors: Yang Wang
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-x23r7
 
Subject: Chemistry
,
Working Paper
, Title:

A General Chemistry Framework for Making Sense of the Chemical Potential, Work and Spontaneity in Chemical Reactions

, Authors: Dorothy Miaoyu Huang
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-1898p
 
Subject: Chemistry
,
Working Paper
, Title:

Assembly and solution phase properties of Ag+–mediated adenine-thymine DNA duplexes

, Authors: Eshana Bethur, Ziqian Zhao, Rweetuparna Guha, Hongbo Zeng, Stacy Copp
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-dhjhh
 
Subject: Chemistry
,
Working Paper
, Title:

X-ray Thermometry Reveals that Glycerol Aerosols Spontaneously form Glasses

, Authors: Kevin Carter-Fenk, Slavomír Nemšák, Sorren Warkander, Musahid Ahmed, Martin Head-Gordon
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-7bwnx
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Investigation of Acene Reduction with Boron Triiodide

, Authors: Andrej Corkovic, S. Genevieve Duggan, Pere Miro, Florence Williams
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-hbn33-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Practical Atmospheric Photochemical Kinetics for Undergraduate Teaching and Research

, Authors: James D'Souza Metcalf, Ruth Winkless, Abbie Robinson, Stuart C. Smith, Andrew R. Rickard, Terry J. Dillon
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-l5rgh-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Compensation Relationship in Thermodynamics of Gas-Phase Molecular Complexation

, Authors: Andrey A. Sokolov, Mansur B. Khisamiev, Boris N. Solomonov, Mikhail I. Yagofarov
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-hrt1s
 
Subject: Chemistry
,
Working Paper
, Title:

Modular Enantioselective Photocatalysts from Privileged Pybox Scaffolds

, Authors: Riley Kelch, Lea Hämmerling, Eli Zysman-Colman, Tehshik Yoon
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-x7lc6
 
Subject: Chemistry
,
Working Paper
, Title:

Salty Silicon Synthesis: Utilization of NaCl -KCl Salt Mixtures to Assist in the Aluminothermic Reduction of Fumed SiO2

, Authors: Toren Hynes, Sarah Martell, Mita Dasog
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-dpddp
 
Subject: Computer Science
,
Working Paper
, Title:

Pathological Reinforcement in Sign-Gated Dual-Trace Temporal-Difference Learning: Gamma-Invariant Necessary and Sufficient Conditions and Robust Bounds

, Authors: Yuta Agawa
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.33774/coe-2025-57gfj
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Site-based practical conservation combining science and practical experience: Chippenham Fen

, Authors: Vanessa Cutts, Nigel Taylor, William Sutherland
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.33774/coe-2025-fr522
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Site-based practical conservation combining science and practical experience: Lady Fen, Welney

, Authors: Vanessa Cutts, Nigel Taylor, William Sutherland
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.33774/coe-2025-8lwnh
 
Subject: Earth and Environmental Sciences
,
Working Paper
, Title:

Site-based practical conservation combining science and practical experience: Ouse Bridge Farm, Denver

, Authors: Vanessa Cutts, Nigel Taylor, William Sutherland
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.33774/coe-2025-5q4d0
 
Subject: Chemistry
,
Working Paper
, Title:

Grid-Adapted-Manybody-Analysis (GAMA): A Fragment-Based Quantum Chemistry Exploration on Medium-Sized Water Clusters and the Critical Role of Counterpoise Correction

, Authors: Sujan Kundu, Arjun Saha
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-z5115-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The comparison of metal-binding ability of the C-terminal region of Y. pestis, K. pneumoniae, and S. typhimurium FeoB protein

, Authors: Bartosz Orzel, Malgorzata Ostrowska, Slawomir Potocki, Henryk Kozlowski, Massimiliano Peana, Elzbieta Gumienna-Kontecka
Version undefined posted 21 August 2025
Posted
Aug 21, 2025
10.26434/chemrxiv-2025-jprzk
 
Subject: Chemistry
,
Working Paper
, Title:

Optical fiber chemistry and the artificial-intelligence chemistry platform

, Authors: shiping gu, haitao gu
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-dg30l
 
Subject: Chemistry
,
Working Paper
, Title:

Four-Component Reactions of [n.1.1]Propellanes (n = 1 or 3) Triggered by Electrophilic Activation

, Authors: Anthony Garcia, Sarah Livesley, Ching Ching Lam, Andrew Hackett, James S. Somper, Maneesh K. R. Singam, Craig M. Robertson, James D. F. Thompson, Fernanda Duarte, Sam Butterworth, Kendall N. Houk, Christophe Aissa
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-xv7kq
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Assembled 3,4,9,10-Perylenetetracarboxylic Acid Dianhydride is a Molecular Graphite

, Authors: Jaeyoung Lee, Carrie Donley, Natalie Druffner, Nathaniel Yeboah, Aleksandrs Prokofjevs, Megan Jackson
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-7sq05
 
Subject: Chemistry
,
Working Paper
, Title:

Relationship between sodium content and copper activity for high voltage stability in O3-type layered oxide cathodes

, Authors: Neelam Sunariwal, Jihyeon Gim, Akhil Tayal, Khagesh Kumar, Dennis Nordlund, Christopher S. Johnson, Eungje Lee, Jordi Cabana
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-b334s
 
Subject: Chemistry
,
Working Paper
, Title:

Polaris Challenge: Data-driven Priors to Improve Docking for Pose Prediction

, Authors: Kunyang Sun, Yingze Wang, Justin Purnomo, Teresa Head-Gordon
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-fv3c3
 
Subject: Chemistry
,
Working Paper
, Title:

Transformation of the Epoxy Group into an Ether Bridge in Graphene Quantum Dots: A DFT Study

, Authors: Dmitry Romanov, Igor Ershov, Anatoly Lavrentyev
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-tddw1-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Associative Photocatalysis: Activation of Inert Haloarenes by Interaction-Centric Design

, Authors: Kakeru Matsukuma, Masanori Tayu, Kento Muto, Ryota Itai, Masahiro Noji, Satoshi Hayashi, Sayaka Ohrui, Nozomi Saito
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-1386d
 
Subject: Chemistry
,
Working Paper
, Title:

Photoredox-Catalyzed Nitroarene C–H Alkylation Using Carboxylic Acids

, Authors: Kousik Das, Burkhard Koenig
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-2tgc9
 
Subject: Chemistry
,
Working Paper
, Title:

Cation and Vacancy Engineering Reveals Coexistence of Liquid- and Solid-Like Ion Transport in Metal-Organic Frameworks

, Authors: Alice Y. Su, Stefano Canossa, Julius J. Oppenheim, Zhentao Yang, Mircea Dincă
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-pc0m9
 
Subject: Chemistry
,
Working Paper
, Title:

Fingerprint-Based Machine Learning for SARS-CoV-2 and MERS-CoV Mpro Inhibition: Highlighting the Potential of Bayesian Neural Networks

, Authors: Niklas Piet Doering, Valerij Talagayev, Sijie Liu, Gerhard Wolber
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-rv352
 
Subject: Chemistry
,
Working Paper
, Title:

ElyteOS: Software for Automated Electrolyte Preparation, Measurement, and Data Management

, Authors: Yuhan Chen, Hongyi Lin, Tianyi Zhang, Adarsh Dave, Jared Mitchell, Jay Whitacre, Venkatasubramanian Viswanathan
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-6wq3x
 
Subject: Chemistry
,
Review
, Title:

A Perspective on Unintentional Fragments and their Impact on the Dark Metabolome, Untargeted Profiling, Molecular Networking, Public Data, and Repository Scale Analysis.

, Authors: Yasin El Abiead, Ipsita Mohanty, Shipei Xing, Adriano Rutz, Vincent Charron-Lamoureux, Tito Damiani, Wenyun Lu, Gary J Patti, Nicola Zamboni, Oscar Yanes, Pieter C Dorrestein
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-l6pg7
 
Subject: Chemistry
,
Working Paper
, Title:

Shear-Induced Anisotropic Supramolecular Gel Noodles for Improved Cell Guidance in Polarized Tissue Engineering

, Authors: Dave J. Adams, Dipankar Ghosh, Matthew Walker, Lauren Matthews, Charlie Patterson, Oana Dobre, Massimo Vassalli
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-15k4k
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of the Anti-Obesity Potential of Caffeine, Caffeic Acid, and Chlorogenic Acid from Green Coffee Beans Using Network Pharmacology and Molecular Docking

, Authors: Son Nguyen Manh, Hoan Nguyen Duc, Phong Nguyen Duc, Vang Pham Huu, Ha Manh Nguyen, Thao Ta Thi, Thanh Nguyen Duc
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-s7wbr
 
Subject: Chemistry
,
Working Paper
, Title:

AMODO-EO: A Practical Framework for Adaptive Objective Discovery in Multi-Objective Drug Optimization

, Authors: Nihal Shetty, Ashil Shetty, B Karthik Udupa
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-rjhxn
 
Subject: Chemistry
,
Working Paper
, Title:

Behavior of modified Hexa-2,4-diyne-1,6-dioles in acidic media – A balance between cyclobutenes and diarylvinylfuran-3(2H)-ones

, Authors: Marcus Korb, Seyed M. B. H. Ghazvini, Diego Cordova, Max Massi, Elena Dallerba, Carol Hua, Ingrid Dell, Paul Low
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-zlfdw
 
Subject: Chemistry
,
Working Paper
, Title:

Completing the Hierarchy of Rotational Defects in Monolayer MoS2 through Symmetry-Aware Evolutionary Search

, Authors: Alexander Adel, Ralf Wanzenböck, Georg K. H. Madsen
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-1bl5c
 
Subject: Chemistry
,
Working Paper
, Title:

Copper-Catalyzed Asymmetric Nitrenoid Transfer to Access Fused δ-Lactams via HFIP-Assisted Aziridination and Cascade Cyclization

, Authors: Suhyeon Kim, Eleonora Tufano, Matteo Barilli, Emanuele Casali, Yoonghoon Kim, Dongwook Kim, Tommaso Massimini, Giuseppe Zanoni, Sukbok Chang
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-gfjb9
 
Subject: Chemistry
,
Working Paper
, Title:

A single-step radiolabeling strategy for PET, SPECT, and therapeutic radionuclides using nanoparticles as a universal chelator

, Authors: Aitor Herraiz, Andrea Rodríguez-San-Pedro, Marta Casquero-Veiga, Unai Cossio, Nuria Arias-Ramos, Lucia Gutiérrez, Eduardo Romero-Sanz, Victor Manuel Luján-Rodríguez, Carlos Cerón, Marta Oteo, Ana González-Paredes, Pilar López-Larrubia, Rafael T. M. de Rosales, Marta Cortes-Canteli, Miguel A. Morcillo, Jesús Ruiz-Cabello, Juan Pellico, Fernando Herranz
Version undefined posted 22 August 2025
Posted
Aug 22, 2025
10.26434/chemrxiv-2025-lx5qj-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Site-selective Ligand Selection by Mutational Profiling for Covalent RNA Targeting

, Authors: Phillip Yesley, Georgia Poulladofonou, Danny Incarnato, Willem Arend Velema
Version undefined posted 23 August 2025
Posted
Aug 23, 2025
10.26434/chemrxiv-2025-sj30m
 
Subject: Chemistry
,
Working Paper
, Title:

ML-assisted Computational Workflow to the Robust Modeling of Supramolecular Metallacages in Solution

, Authors: Julia A. Stebani, Iñigo Iribarren, Gohar A. Siddiqui, Darren Wragg, Alessio Gagliardi, Angela Casini
Version undefined posted 23 August 2025
Posted
Aug 23, 2025
10.26434/chemrxiv-2025-zt4jf
 
Subject: Chemistry
,
Working Paper
, Title:

High Pressure H2 treatment for deep cleaning of Fe single crystals

, Authors: Sun Myung Kim, Imants Dirba, Oliver Gutfleisch, Wolfgang Donner, Jan Philipp Hofmann
Version undefined posted 23 August 2025
Posted
Aug 23, 2025
10.26434/chemrxiv-2025-wx3c0
 
Subject: Chemistry
,
Working Paper
, Title:

Protein self-assembly in crowded environments

, Authors: Max C.M. Martens, Zexiang Han, Tuomas P.J. Knowles, Remco Tuinier, Nadia A. Erkamp
Version undefined posted 23 August 2025
Posted
Aug 23, 2025
10.26434/chemrxiv-2025-zhb2l
 
Subject: Chemistry
,
Working Paper
, Title:

Demonstrating the Dual Role of AlxOy Coatings on LiNiO2 Cathodes in Pouch Cells via Operando and Surface-Sensitive X-ray Techniques

, Authors: Muhammad Ans, Eleni Fiamegkou, Ashok S. Menon, Gaurav C. Pandey, Galo J. Páez Fajardo, Harry Gillions, Paolo Melgari, Calum Clenahan, Satish Bolloju, Pardeep K. Thakur, Tien-Lin Lee, Serena A. Cussen, Beth I. J. Johnston, Louis F. J. Piper
Version undefined posted 23 August 2025
Posted
Aug 23, 2025
10.26434/chemrxiv-2025-2wm2m-v2
 
Subject: Economics
,
Working Paper
, Title:

Economic Evaluation of Telemedicine, Remote Consultations, Monitoring and Supportive Care for Invasive Ductal Carcinoma Care in Nigeria.

, Authors: Adeyemi Olayisade
Version undefined posted 23 August 2025
Posted
Aug 23, 2025
10.33774/coe-2025-8x9tv
 
Subject: Chemistry
,
Working Paper
, Title:

Coverage Induced Confinement Effects on the Solvation Structure and Thermodynamics of Functionalized Gold Nanoparticles: A Molecular Dynamics Simulation and Grid Inhomogeneous Solvation Theory Study

, Authors: Haifa Al Mamari, Issam Ali, Ravindra Pandey, SrinivasaRao Varanasi
Version undefined posted 23 August 2025
Posted
Aug 23, 2025
10.26434/chemrxiv-2025-rk5mx
 
Subject: Chemistry
,
Working Paper
, Title:

Accurate and non-invasive monitoring of biofilms in drinking water distribution systems through the analysis of quorum sensing-related mRNA in the effluent

, Authors: Van-Khuong Trinh, Shota Konno, Matthew Hong, Sangdo Yook, Hyun-Suk Oh, Chamteut Oh
Version undefined posted 24 August 2025
Posted
Aug 24, 2025
10.26434/chemrxiv-2025-2rjd0-v2
 
Subject: General Science
,
Working Paper
, Title:

Theory of sedimentation and diffusion in multicomponent suspensions

, Authors: Stephen Peppin
Version undefined posted 24 August 2025
Posted
Aug 24, 2025
10.33774/coe-2025-fqx86
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular MetaGraph and Molecular Iterated MetaGraph in Chemistry

, Authors: Takaaki Fujita
Version undefined posted 24 August 2025
Posted
Aug 24, 2025
10.26434/chemrxiv-2025-7cskx
 
Subject: Chemistry
,
Working Paper
, Title:

Estimating the hydrogen bond strength by machine learning approaches

, Authors: Nahera Samangani, Stefan Zahn
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-xrlss
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancement in the performance of Nb14W3O44 high power anodes through P doping in the tetrahedral sites

, Authors: Alex Green, James Annis, Dominic Gardner, Aron Spiller, Phoebe Allan, Peter Slater
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-tl2zw
 
Subject: Chemistry
,
Working Paper
, Title:

TEMPL: A template-based protein-ligand pose prediction baseline

, Authors: Jozef Fülöp, Martin Šícho, Wim Dehaen
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-0v7b1
 
Subject: Chemistry
,
Working Paper
, Title:

Bands, Beets & Berries: A Quantum Study of Natural Dyes for Solar Cells.

, Authors: Kian Sturrock, John Mitchell
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-3fcxf
 
Subject: Chemistry
,
Working Paper
, Title:

More numerical precision for less compute cost: Optimizing a local correlation algorithm for second order Møller-Plesset theory and comparing against pair natural orbital methods

, Authors: Zhenling Wang, Haobo Ling, Tianyi Shi, Yao Shen, Zhe Wang, Liu Yang, Xiaoye S. Li, Martin Head-Gordon
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-j0wd1
 
Subject: Chemistry
,
Working Paper
, Title:

Obtaining curvature-based HLD parameters for single ionic surfactants via Small Angle X-ray Scattering (SAXS)

, Authors: Edgar Acosta, Zhuotao Leng, Hassan Ghasemi Vincheh
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-hd6l0
 
Subject: Chemistry
,
Working Paper
, Title:

Enhancement of the super-resolved optical photothermal infrared signal increase at lower temperatures

, Authors: Karolina Kadela, Karolina Kosowska, Szymon Tott, Tetiana Stepanenko, Maciej Roman, Tomasz Wrobel
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-xtzxh-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Improved modeling of battery electrolytes: betting on model fitting or quantum effects?

, Authors: Defne Sarac, Diego Moreno-Martinez, Marie-Liesse Doublet, Christophe Raynaud
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-zxgqd-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Development, Scope, and Catalyst Selection in Boron-Catalyzed Iterative Glycosylation

, Authors: Kishor Harale, Chandana Sunil, Girish Sati, Annabel Ansel, Timothy Emmel, Joshua Martin, Taylor Spiller, John Montgomery
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-0pjgb-v2
 
Subject: Chemistry
,
Working Paper
, Title:

FAST AND FLEXIBLE 3D MOLECULE DESIGN FRAMEWORK FOR NOVEL ORGANIC OPTOELECTRONIC MATERIALS

, Authors: Guojiang Zhao, Zheng Cheng, Kele Xu, Tianjiao Wan, Ming Feng, Shuqi Lu, Hongshuai Wang, Zijian Gao, Qi Ou, Liang Hu, Dawei Feng, Zifeng Zhao, Zhifeng Gao
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-kwdbd-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

, Authors: Sarang Bhagwat, Marco Dell'Anna, Yalin Li, Mingfeng Cao, Emma Brace, Sunil Bhagwat, George Huber, Huimin Zhao, Jeremy Guest
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2024-4sz8x-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Hitchhikers to chirality: nanostructure-triggered amplification of molecular chiral signal transferred via carbon dots

, Authors: Mateusz Pawlak, Aleksandra Wajda, Zofia Rejman, Maciej Roman, Tomasz Wróbel, Agnieszka Kaczor
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-p9wkb-v4
 
Subject: Chemistry
,
Working Paper
, Title:

On-resin Synthesis and Late-Stage Functionalization of Macrocy-clic Peptidomimetics via 5-Iodo-1,4-Triazoles

, Authors: Oscar Shepperson, Michael Malone, Kirsty Arnott, Ryan Brown, Andrew Jamieson
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-fmbqq-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Decoding the Signatures of Chromophore-Solvent Interactions in InfraRed Spectroscopy with Machine-Learning: Insights from a Hybrid Density-Functional Theory/Molecular Mechanics Dynamics Model

, Authors: Abir KEBABSA, François MAUREL, Éric Brémond
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-jhp7j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

From Spheres to Cones: Structural Instabilities and Acidity at Conical Regions in Trivalent Metal Ion Nano-clusters

, Authors: Jihong Shi, Han Nguyen, Mateo Pescador Arboleda, Styliani Consta
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-9b03l-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Droplets as Cell Models: Chemical Gradient-Induced Directional Filopodia Formation

, Authors: Sanjana Krishna Mani, Laurie Lazinski, Samuel Birrer, Aditya Sapre, Lauren Zarzar, Ayusman Sen
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-831cl
 
Subject: Chemistry
,
Working Paper
, Title:

Construction of an Interpretable Machine Learning Model for Yield Prediction and Mechanistic Elucidation Enabled by Global Reaction Route Mapping

, Authors: Takahiro Doba, Yu Harabuchi, Yuuya Nagata, Satoshi Maeda
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-0qr26
 
Subject: Chemistry
,
Working Paper
, Title:

From Micropollutant to DBP Driver: The Unexpected Reactivity of 1-Chlorobenzotriazole in Water Disinfection

, Authors: Kumudu H. Rathnayake, Md Fahim Hossain, Atlas Brown, Susana Y. Kimura
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-9tc0l
 
Subject: Chemistry
,
Working Paper
, Title:

Insights into the Sequential Oxidation Mechanisms on the Surface of Carbon Nanotubes by Photoinduced Force Microscopy

, Authors: Kaori Fujii, Kazufumi Kobashi, Yasuhiko Fujita, Takahiro Morimoto, Hideaki Nakajima, Toshiya Okazaki
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-xz74s
 
Subject: Chemistry
,
Working Paper
, Title:

Base-free Electrophilic Diynylation of Thiols with Diynyl Benziodoxolone

, Authors: Norihiro Tada, Ryusei Uozumi, Takuto Naito, Hiroyoshi Esaki, Akichika Itoh
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-v8f58
 
Subject: Chemistry
,
Working Paper
, Title:

Large-Scale Amino-Mesyloxylation Using Tethered Nitreniums

, Authors: Shyam Sathyamoorthi
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-5zc51
 
Subject: Chemistry
,
Working Paper
, Title:

Disentangling Site-Selective Redox Couples for N2O Activation on Fe-Exchanged SSZ-13 Using Modulated Excitation Operando EPR spectroscopy

, Authors: Jörg W. A. Fischer, Daniel C. Cano-Blanco, Hugo Karas, Filippo Buttignol, Oliver Krӧcher, Davide Ferri, Gunnar Jeschke
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-kn67f
 
Subject: Chemistry
,
Working Paper
, Title:

DNA affects the phenotype of fuel-dependent coacervate droplets

, Authors: Corbin Machatzke, Anna-Lena Holtmannspötter, Hannes Mutschler, Job Boekhoven
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-mkd5r
 
Subject: Chemistry
,
Working Paper
, Title:

TorchANI-Amber: Bridging neural network potentials and classical biomolecular simulations

, Authors: Ignacio Pickering, Jonathan Semelak, Jinze Xue, Adrian Roitberg
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-j0b7s-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Buffon’s Brownian Needles: Harnessing Thermal Motion for Stochastic Sampling

, Authors: Juliane Simmchen, Charlie Maslen, Luke Nicholson
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-5gl27
 
Subject: Psychology
,
Working Paper
, Title:

Where Should AI Sit in the Future Consumer Decision Making? – History and Future

, Authors: Xiangru Chen, Tiantai Deng
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.33774/coe-2025-6vp6q
 
Subject: Chemistry
,
Working Paper
, Title:

Selective Manipulation of Low-Frequency Modes in Conjugated Polymers via Chirped Optical Frequency Combs

, Authors: Xinpeng Xu, Richard Hildner, Elisa Palacino-González
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-nm4r1
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Site Proton-Coupled Electron Transfer Enables Iodanyl Radical Catalysis

, Authors: Phong Thai, Brandon Frey, Remy Lalisse, Lauv Patel, Zhihui Song, Raanan Carmielli, Osvaldo Gutierrez, David Powers
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-gv6ct
 
Subject: Chemistry
,
Working Paper
, Title:

Reticular Construction of a Two-dimensional Ag12 Cluster-Assembled Material for Rapid and Selective Luminescent Sensing of Antibiotics in Aqueous Media

, Authors: Tsukasa Irie, Kohki Sasaki, Mika Nozaki, Tokuhisa Kawawaki, Shuntaro Takahashi, Saikat Das, Yuichi Negishi
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-js25l
 
Subject: Chemistry
,
Working Paper
, Title:

Computer Vision for High-Throughput Materials Synthesis: A Tutorial for Experimentalists

, Authors: Madeleine Gaidimas, Abhijoy Mandal, Pan Chen, Shi Xuan Leong, Gyu-Hee Kim, Akshay Talekar, Kent Kirlikovali, Kourosh Darvish, Omar Farha, Varinia Bernales, Alan Aspuru-Guzik
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-m6r2j
 
Subject: Chemistry
,
Working Paper
, Title:

Non-Thermal Plasma Conversion of Humidified CO₂ into Syngas in a Dielectric Barrier Discharge Reactor: Tuning H2/CO ratios via specific energy input and gas flow rate

, Authors: Maxwell Klein, Joshua Jack
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-q2skr
 
Subject: Chemistry
,
Working Paper
, Title:

Proline/Sidechain C–H/O Interactions Stabilize cis-Proline

, Authors: Harrison C. Oven, Himal K. Ganguly, Neal J. Zondlo
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-s7lhv
 
Subject: Chemistry
,
Working Paper
, Title:

A Chiroptical Switcher. Helical Inversion of Twisted Porphyrin Macrocycle Synergistically Controlled by Combined Stimuli of Solvent and Pressure

, Authors: Tomoyuki Hamachi, Tomokazu Kinoshita, Kouta Tanabe, Naoyuki Hisano, Takeharu Haino, Gaku Fukuhara
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-v1nwk
 
Subject: Chemistry
,
Working Paper
, Title:

HREI-MSDB: Data-science ready database of high resolution electron ionization mass spectra

, Authors: Anastasia Yu. Sholokhova, Timur M. Baygildiev, Ekaterina S. Chichkanova, Svetlana A. Borovikova, Yuriy A. Ikhalaynen, Igor A. Rodin, Dmitriy D. Matyushin
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-30xwb
 
Subject: Chemistry
,
Review
, Title:

The AI Revolution in Chemistry: Shaping the Future of Materials and Biomedical Sciences

, Authors: Bhuvaneshwari S Baranwal, Leighton O Jones, Ankush Maind, Umesh T Balande, Dipratn G Khandare, Hina Z Goyal, Leilani M Lotti Diaz, Julian M Ivanov, Qiongqiong zhou
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-8lrf0
 
Subject: Chemistry
,
Working Paper
, Title:

A Python Tutorial for 3DRISM Solvation Calculations of Chemical and Biological Molecules

, Authors: Peter Swanson, Siqin Cao, Xuhui Huang
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-jv92j
 
Subject: Chemistry
,
Working Paper
, Title:

Revealing Competing Kinetic Pathways in Amphiphilic Pt(II) Complex Self-Assembly via Deep Learning with Graph Neural Networks

, Authors: Zige Liu, Siqin Cao, Bojun Liu, Xuhui Huang
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-qwd69-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Unified Mechanistic Framework for DDQ-promoted Transformation of Electron-deficient Alkenes: the Addition-Coupled Electron Transfer (ACET) Perspective

, Authors: Yumiao Ma, Dongtian Xu
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-2xwpq
 
Subject: Chemistry
,
Working Paper
, Title:

Live-cell imaging analysis of the intracellular behavior of C-type lectin receptor Mincle and its ligand using newly developed fluorescence-labeled molecular probes based on trehalose diester

, Authors: Takanori Matsumaru, Kana Okubo, Juri Takayama, Yuki Hirano, Yi-Ren Huo, Chun-Cheng Lin, Sho Yamasaki, Yukari Fujimoto
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-w7lbt
 
Subject: Chemistry
,
Working Paper
, Title:

Ru(II)-Catalyzed Annulative Linear Dienylation with Allenyl Acetates and Applications in Photocatalytic Reductive Couplings

, Authors: Suman Ghosh, Partha Sarathi Saha, Mainak Koner, Shabbir Ahmed Khan, Mahiuddin Baidya
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-nfq2c
 
Subject: Chemistry
,
Working Paper
, Title:

OpenStats: How to combine statistics and research data management (RDM) to leverage efficient scientific data analysis by guided statistics

, Authors: Konrad Krämer, Pierre Tremouilhac, Fabian Mauz, Christoph Grathwol, Nicole Jung, Stefan Bräse
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-9rgbd
 
Subject: Chemistry
,
Working Paper
, Title:

Unveiling the Amphoteric Surface Reactivity of Montebrasite using Spectroscopic and First-Principles Methods

, Authors: Espoir M. MURHULA, Wennie Wang, Gideon Lambiv Dzemua, Suk Gyu Lim, Gabriele Schatte, Lucia Zuin, Charlotte E. Gibson
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-cvj65
 
Subject: Chemistry
,
Working Paper
, Title:

Dissymmetry Factor Enhancement: A Data-Driven Approach to Unravel the Synthesis Knobs of Chiral 2D Perovskites

, Authors: Raphael Moral, Maher Alghalayini, Raushan Nurdillayeva, Do-Kyoung Lee, Tim Kodalle, Paulo Marchezi, David Fenning, Marcus Noack, Craig Schwartz, Carolin Sutter-Fella
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-ljpc7
 
Subject: Chemistry
,
Working Paper
, Title:

Online monitoring of lanthanide species with combined spectroscopy in flowing aqueous aerosol systems

, Authors: Garrett LeCroy, Qiufeng Yang, Micah Raab, Ruchi Gakhar, Ammon Williams
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-5frjg-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Chlorination of Amines by a Vanadium-Dependent Chloroperoxidase

, Authors: Elizabeth J Gross, Sophia G Barthel, Kyle F Biegasiewicz
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-v071g
 
Subject: Chemistry
,
Working Paper
, Title:

A Dataset of Simple 1-D and 2-D NMR Spectra of Peptides, Including all Encoded Amino Acids, for Introductory Instruction in Protein Biomolecular NMR Spectroscopy

, Authors: Noah J. Daniecki`, Nicholas V. Costantini, Geoffrey M. Sametz, Neal J. Zondlo
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2024-zww4n-v2
 
Subject: Chemistry
,
Review
, Title:

LMCT-Driven Iron Photocatalysis: Mechanistic Insights and Synthetic Applications

, Authors: Amrita Chaudhuri, Luca Mareen Denkler, Qing Zhuo, Anup Mandal, Ala Bunescu
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-p8ps1
 
Subject: Chemistry
,
Working Paper
, Title:

Isolation of a Lewis acid-base stabilized stannanone

, Authors: Mike Jörges, Daniel Knyszek, Manoj Kumar, Varre S. V. S. N. Swamy, Viktoria H. Gessner
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-480c8
 
Subject: Chemistry
,
Working Paper
, Title:

The role of halides in the bonding and electronic structure of actinyl(VI) halides - energy match driven stability

, Authors: Thomas Neill, Harry Ramanantoanina, Natalia Palina, Tim Pruessman, Joerg Rothe, Xavier Gaona, David Fellhauer, Dieter Schild, Constantin Wansorra, Dirk Hauschild, Ralph Steininger, Bianca Schacherl, Clemens Heske, Lothar Weinhardt, Olaf Walter, Florian Weigend, Tonya Vitova
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-wf970
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of Annotinolide B via Sequential Quinoline Dearomatization

, Authors: Bhawyanth Duvvuru, Myles Smith
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-z0nt2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Role of Surface Oxygen Functional Groups in the Adsorption of Catechol, Hydroquinone, and Aniline on Graphene Oxide

, Authors: Md Samiur Rahman, Anggon Barua, Sharifa Faraezi, Md Sharif Khan
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-tkd36
 
Subject: Chemistry
,
Working Paper
, Title:

Selectivity Modulation of Organic Semiconductor Electrophotocatalysis Enables Highly Selective CO2-to-Methanol Conversion

, Authors: Yanghong Xu, Long Yang, Yifei Wang, Jiaxin Su, Zhenru Zhang, Kun Xiong, Jun Wang, Xiaofeng Zhu, TaeKyu Ahn, Youngsoo Kang, Wooyul Kim, Yongfa Zhu
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-4s089-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Local Entropy in Proteins

, Authors: Patrick Senet, Adrien Guzzo, Patrice Delarue, Christophe Laforge, Gia G. Maisuradze, Jean-Marie Heydel, Fabrice Neiers, Adrien Nicolaï
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-qcd4w-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting S1 TDDFT energies from ZINDO calculations using Message-Passing Delta-ML with electronically-informed descriptors

, Authors: Adam Coxson, Omer Omar, Marcos Del Cueto, Alessandro Troisi
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-gln8z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Characterisation of Uranium(IV) Complexes with Tridentate NNS Ligands

, Authors: Christian Urbank, Christopher Golz, Lisa Vondung
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-g4xg3
 
Subject: Chemistry
,
Working Paper
, Title:

Overcoming thermal degradation during continuous conversion of water into hydrogen peroxide in a flexible plasma reactor

, Authors: Mery Sheryll Hernandez, Yannis Mikolaiczyk, Sergey Soldatov, Guido Link, Lucas Silberer, Roland Dittmeyer, Alexander Navarrete Muñoz
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-xdk96
 
Subject: Chemistry
,
Working Paper
, Title:

Manipulation of Electrospray-Produced Protein and Peptide Ions with Acoustic Fields at Atmospheric Pressure

, Authors: Julia Danischewski, Yi You, Josefin Hufgard, Jens Riedel, Jacob Shelley
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-1tz91
 
Subject: Chemistry
,
Working Paper
, Title:

Insights into Deoxytrifluoromethylation/Aromatization to Access Highly Substituted Trifluoromethyl Arenes

, Authors: Pankaj Bhattarai, Mohammed Khalifa, Suvajit Koley, Ryan Altman
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-bjfx4
 
Subject: Chemistry
,
Working Paper
, Title:

Tailoring WO₃ Thin Film Properties via Synthesis Parameter Control for Desired Applications

, Authors: Frederike von der Haar, Roland Marschall
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-mdrhv
 
Subject: Mathematics
,
Protocol/Methodology
, Title:

Spectral Breakdown Theory

, Authors: Ndoubahidi Ebenezer Mbaïassem
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.33774/coe-2025-4pzhs
 
Subject: Economics
,
Working Paper
, Title:

Digital Disruption and the Informal Economy: A Study of the Economic Sustainability of Vegetable Vendors in Mumbai

, Authors: Rudraj Mehta
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.33774/coe-2025-z6j9c
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Paying for Defence in High-Threat Environments: Political and Economic Divides over Defence Spending Expansions in Three Ex-Axis Countries

, Authors: Junpei Suzuki
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.33774/apsa-2025-jrp45
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Where is the Post in First-Past-the-Post (and Beyond)? A Logical Model of the Effective District-Wide Threshold

, Authors: Jack Bailey
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.33774/apsa-2025-l4d92-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Comment on “Achieving small singlet–triplet energy gaps in polycyclic heteroaromatic emitters”

, Authors: Piotr de Silva
Version undefined posted 25 August 2025
Posted
Aug 25, 2025
10.26434/chemrxiv-2025-sl0rr
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning-Driven Closed-Loop Discovery of Hard Multiple Principal Element Alloys

, Authors: Maitreyee Sharma Priyadarshini, Edwin Gienger, Jarett Ren, Bianca Piloseno, Elizabeth A Pogue, Paul K. Lambert, Jesse S. Ko, Paulette Clancy
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-klz0c
 
Subject: Chemistry
,
Working Paper
, Title:

Integrated NanoLC and UPLC-MS Platforms for Single Cell and Complex Mixture Analysis

, Authors: Jaeho Ji, Eunjeong Han, Kyuhan Kwon, Woojin Kim, Ahrum Son, Hyunsoo Kim
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-125mr
 
Subject: Chemistry
,
Working Paper
, Title:

First report: Tagetes erecta inhibits quorum-sensing in Pseudomonas aeruginosa

, Authors: Denisse Alejandra Lugo Gutierrez, Gabriel Martínez Gonzalez, Cristian S Lopez Santos, Jorge Almeida
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-xh4td
 
Subject: Chemistry
,
Working Paper
, Title:

Integration of Machine Learning and Feature Analysis for the Optimization of Enhanced Oil Recovery and Carbon Sequestration in Reservoirs

, Authors: Bukola Mepaiyeda, Michal Ezeh, Olaosebikan Olafadehan, Awwal Oladipupo, Opeyemi Adebayo, Etinosa Osaro
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-5v32t
 
Subject: Chemistry
,
Working Paper
, Title:

Integrating machine learning interatomic potentials with batched optimization for crystal structure prediction

, Authors: Chengxi Zhao, Zhaojia Ma, Dingrui Fan, Siyu Hu, Leping Wang, Weile Jia, En Shao, Guangming Tan, Jun Jiang, Linjiang Chen
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-fqs7n
 
Subject: Chemistry
,
Working Paper
, Title:

Tightly yet Dynamically Bound Aliphatic Guanidinium Ligands for Lead Halide Perovskite Nanocrystals

, Authors: Yuliia Berezovska, Sebastian Sabisch, Caterina Bernasconi, Yesim Sahin, Federica Bertolotti, Antonietta Guagliardi, Maryna I. Bodnarchuk, Dmitry Dirin, Maksym Kovalenko
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-20rsk
 
Subject: Chemistry
,
Working Paper
, Title:

Magnetotransport and Coulomb Blockade in Single InAs Colloidal Quantum Dot Transistors

, Authors: Kenji Shibata, Tomoki Takiguchi, Akira Sato, Yuto Sasaki, Tomohiro Otsuka
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-t4cdv
 
Subject: Chemistry
,
Working Paper
, Title:

A Modular Chemo-Responsive Fluorescent DNA Probe-Based Platform for Multiplex Reactive Biomolecular Analysis Using Fluorescence-Encoded Beads

, Authors: Tatsuya Nishihara, Masato Sugawara, Reoto Mio, Yuto Motohashi, Kazuhito Tanabe
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-z584m
 
Subject: Chemistry
,
Working Paper
, Title:

Tiny Droplets, Large Insights: Studying Peptide Aggregation with Droplet-based Microfluidics Hyphenated with Ion Mobility Mass Spectrometry

, Authors: Ariadni Geballa-Koukoula, Iuliia Stroganova, Hannah Willenberg, Kevin Hes, Emily Kempa, Perdita Barran, Aigars Piruska, Wilhelm Huck, Anouk Rijs
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-srj68
 
Subject: Chemistry
,
Working Paper
, Title:

EPR Spectroscopy in para-Hydrogen Matrices

, Authors: Adrián Portela-González, Wolfram Sander, André K. Eckhardt
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-j11rd
 
Subject: Chemistry
,
Working Paper
, Title:

The risks to human health of air toxics, PM2.5, and ozone from the 2023 Canadian wildfires

, Authors: Havala O. T. Pye, William T. Hutzell, Neal L. Fann, T. Nash Skipper, Michael Pye, James Beidler, Christine Allen, Benjamin N. Murphy, Emma L. D'Ambro, Stephanie Lin, Kevin Talgo, Lara Reynolds, Daiwen Kang, Jesse Bash, Karl M. Seltzer, Sara L. Farrell, K. Wyat Appel, Kathy Brehme, Robert C. Gilliam, Barron H. Henderson, Arthur W. H. Chan
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-fx8f1
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational Rigidity Controlled Copper Catalyzed Chemo-divergent Annulation

, Authors: Pratap Kumar Mandal, Subhra Kanti Mahato, Neelam ., Soumalya Panja, Parikshit Moitra, AMIT KUMAR SIMLANDY
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-lnlkm
 
Subject: Chemistry
,
Working Paper
, Title:

Radiation-triggered Catalytic Decaging in Living Mice

, Authors: Jian Wang, Xianrui Zhang, Yin Liang, Sijie Wu, Lixia Liu, Ruotong Deng, Hanjie Zhu, Peng Chen, Xinyuan Fan, Wei Cao
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2024-p5r35-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Revisiting Boron Cluster Dihydrogen Bonding: Improved Reference Energies and Benchmark of Localized Coupled Cluster and DFT Methods

, Authors: Golokesh Santra
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-sxgk7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A comparative study of conductive 3D printing filaments for electrochemical sensing applications pretreated by alumina polishing, electrochemical activa-tion, and electrodeposition of Au nanoparticles

, Authors: Shakir Ahmed, Enock Arthur, Kelly Orbzut, Ricoveer Shergill, Alexa Williams, Kelvin Wamalwa, Zackary Epright, Yousef Khatib, Cameron Darvish, Wanlu Li, Bhavik Patel, Glen O'Neil
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-q3z8j-v2
 
Subject: Chemistry
,
Working Paper
, Title:

cQTP25: A New Exchange-Correlation Functional for Core-Electron Ionization Energy

, Authors: Rodrigo Araujo Mendes, Nathanael J. King, Alex Brown, Rodney J. Bartlett, Mariusz Klobukowski
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-p351k-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Development of ArgTag for scalable solid-phase synthesis of aggregating peptides

, Authors: Vincent Freiburghaus, Aliénor Jeandin, Łukasz Frankiewicz, Jie Yang, Nina Hartrampf
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-17x7m-v2
 
Subject: Chemistry
,
Working Paper
, Title:

In situ Zero- to Ultralow-field Control of Spin Orders in Hyperpolarized Organic Solvents

, Authors: Jingyan Xu, Raphael Kircher, Roman Picazo-Frutos, Dmitry Budker, Danila Barskiy
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-h53bc-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering Paramagnetic Spin Centers in Metal-Free Organic Frameworks

, Authors: Amiya Paul, Mohammed Zahid Malik, Raja Ghosh
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-hn0gf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Modular and Diverse Synthesis of Oxaheterocycles via Pd-Catalyzed Migratory 1,n-Cycloannulation of Alkenes

, Authors: Jin-Ping Wang, Yichen Wu, Peng Wang
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-drpr9
 
Subject: Chemistry
,
Working Paper
, Title:

The optoelectronic properties of group IV nanoparticles

, Authors: Eimear Madden, Martijn Zwijnenburg
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-mn7d0
 
Subject: Chemistry
,
Working Paper
, Title:

Exciton Trapping with a Twist

, Authors: Chinju Govind, Israa Shioukhi, Yinon Deree, Jhon Sebastian Oviedo Ortiz, Jeanne Crassous, Ori Gidron, Eric Vauthey
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-hlj6h
 
Subject: Chemistry
,
Working Paper
, Title:

Dramatic Slowdown of Gas Phase Bimolecular Reactions of Criegee Intermediates in Organic Aerosols

, Authors: Meirong Zeng, Kevin Wilson
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-1pmqp
 
Subject: Social Science Research Methods
,
Working Paper
, Title:

Multivariate statistical analysis of data from the PERMA+4 questionnaire “Subjective well-being of an organization’s employees”: Application of dimension reduction and clustering methods

, Authors: Andrey Smolyanov
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.33774/coe-2025-bh6gp
 
Subject: Chemistry
,
Working Paper
, Title:

Second-Harmonic Generation and Photoluminescence Properties of Colloidal WS2 Monolayers deposited from Solution

, Authors: Yang Zhao, Markus Fröhlich, Marco Kögel, Onno Strolka, André Niebur, Tim Parker, Felix Schneider, Alfred J. Meixner, Jannik Meyer, Dai Zhang, Jannika Lauth
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-18pg4
 
Subject: Chemistry
,
Working Paper
, Title:

Facet-specific liquid phase exfoliation of an ionic 1D crystal, (NbSe4)3I, into ultrathin nanoribbons

, Authors: Griffin M. Milligan, Cameron J. Collins, Kaitlyn G. Dold, Diana Lopez, Maxx Arguilla
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-0r156
 
Subject: Chemistry
,
Working Paper
, Title:

A Practical Guide to Transition State Analysis in Biomolecular Simulations with TS-DAR

, Authors: Eshani C. Goonetilleke, Bojun Liu, Yue Wu, Michael S. O’Connor, Xuhui Huang
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-hd6tk
 
Subject: Chemistry
,
Working Paper
, Title:

Scalable High Performance Flat Sheet Adsorbents for Carbon Capture

, Authors: Samser Shaikh, Fangming Xiang, Khaled Baamran, Thien Tran, Patrick Muldoon, Jeffrey Culp, David Hopkinson, Janice Steckel, Ali Sekizkardes
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-d52rd
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand-Enabled CpERh(III) Catalyzed Distal C(sp3)-H Alkynylation of Native Amides

, Authors: Yi Tong, Hannah Ross, Aaron Day, Daniel Priebbenow
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-z5k18
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of macrocyclic peptide binders, covalent modifiers, and degraders of a structured RNA by mRNA display

, Authors: Xiyuan Yao, Kanokpol Aphicho, Shubhashree Pani, Anuchit Rupanya, Tong Lan, Bryan Dickinson
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-1t0k8
 
Subject: Chemistry
,
Working Paper
, Title:

Interpretable Machine Learning Unveils Carbonic Anhydrase Inhibition via Conformal and Counterfactual Prediction

, Authors: Masoumeh Shams Ghamsary, Milad Rayka, S. Shahab Naghavi
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-m69tw
 
Subject: Chemistry
,
Working Paper
, Title:

Assessment of Strong-Correlation Corrected Range-Separated Local Hybrid Functionals for Metalloenzyme Reactions

, Authors: Andrew M. M. Kai, Tiffany T. Nguyen, Robin Grotjahn
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-4v6r0
 
Subject: Chemistry
,
Working Paper
, Title:

The Atroposelective Iodination of 2-Amino-6-arylpyridines Catalyzed by Chiral Disulfonimides Actually Proceeds via Brønsted Base Catalysis: A Combined Experimental and Computational Study

, Authors: Karnjit S. Parmar, Seth Bawel, Mihai V. Popescu, Binh Khanh Mai, Jacob C. Timmerman, Bilal Altundas, Robert S. Paton, Scott E. Denmark
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-hk0d9
 
Subject: Chemistry
,
Working Paper
, Title:

Paraisariamides, cycloheptapeptide toxins from entomopathogenic fungi that inhibit total protein synthesis

, Authors: Richard Tehan, Daphne Mattos, Takumi Arai, Rikito Suzuki, Anja Paatero, Dale Tranter, Connor Dooley, Gisele Rodriguez, Joseph Spatafora, Ville Paavilainen, Shinya Oishi, Jane Ishmael, Kerry McPhail
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-x4f35
 
Subject: Chemistry
,
Working Paper
, Title:

Pyridine-to-pyridazine skeletal editing

, Authors: Sungwoo Hong, Wonjun Choi, Ahyoung Jang
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-1jc74
 
Subject: Chemistry
,
Working Paper
, Title:

Dithiofunctionalization: A Versatile Approach for Constructing Complex Disulfides from Alkenes and Alkynes

, Authors: Yuzuki Takami, Eunsang Kwon, Kazuya Kanemoto
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-j73v9
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative Evaluation of Mechanochromic Luminescent Materials under Controlled Grinding Stimuli

, Authors: Suguru Ito, Sayaka Nagai, Minako Ikeya, Takaki Mashimo, Tomohiro Seki, Hajime Ito, Yoshimitsu Sagara, Toshiki Mutai, Yousuke Ooyama, Ken Nakano
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-td3c0
 
Subject: Chemistry
,
Working Paper
, Title:

Vibrational Energy Transfer of Excited CO Molecules on NaCl(100): A Non-Equilibrium Ab Initio Molecular Dynamics Study

, Authors: Shreya Sinha, Peter Saalfrank
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-3rdgg
 
Subject: Chemistry
,
Working Paper
, Title:

Room temperature structures of solvated organic molecules enabled by liquid cell electron diffraction

, Authors: Niko Vlahakis, Krzysztof Konieczny, Cameron Flowers, Miguel Garcia-Garibay, Jose Rodriguez
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-8ppz1
 
Subject: Chemistry
,
Working Paper
, Title:

Tetrazole-Based Probe: A New Frontier for Scalable, Selective Peroxynitrite Sensing in Cells

, Authors: Shivshankar R. Mane, Emile J. Morin, An V. Pham, Kyle T. Brown, Guang Wu, Andrea S. Carlini
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-07skn
 
Subject: Chemistry
,
Review
, Title:

Spin Matters: A Multidisciplinary Roadmap to Understanding Spin Effects in Oxygen Evolution Reaction during Water Electrolysis

, Authors: Emma van der Minne, Priscila Vensaus, Vadim Ratovskii, Seenivasan Hariharan, Jan Behrends, Cesare Franchini, Jonas Fransson, Sarnjeet S. Dhesi, Felix Gunkel, Florian Gossing, Georgios Katsoukis, Ulrike I. Kramm, Magalí Lingenfelder, Qianqian Lan, Yury V. Kolen'Ko, Yang Li, Ramsundar Rani Mohan, Jeffrey McCord, Lingmei Ni, Eva Pavarini, Rossitza Pentcheva, David H. Waldeck, Michael Verhage, Anke Yu, Zhichuan J. Xu, Piero Torelli, Silvia Mauri, Narcis Avarvari, Anja Bieberle-Hütter, Chris Baeumer
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-00jf2
 
Subject: Chemistry
,
Working Paper
, Title:

Pure chitosan microfluidic spinning affords modular core-sheath fibers and hand-crafted 3D scaffolds with enhanced fibroblasts compatibility

, Authors: Ishneet Kaur, Alejandro Forigua, Hatem Titi, Yonatan Morocz, David Junker, Chris Moraes, Audrey Moores
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-578z7-v2
 
Subject: Chemistry
,
Working Paper
, Title:

MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics

, Authors: Matheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro Jr, Bidhan Chandra Garain, Pavlo O. Dral, Mario Barbatti
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-r3115-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Out-of-Equilibrium Confinement Catalysis Mediated by Compressive Force.

, Authors: Fang-Zi Liu, Shi Li, Yufei Zhu, Yan Liu, Jian Wang, Heather Kulik, KaKing Yan
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-k9l0h
 
Subject: Chemistry
,
Working Paper
, Title:

Comparing Fourier Transform and Direct Wave Fitting in NMR FID Data Analysis

, Authors: Jixin Chen
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-rnlld
 
Subject: Chemistry
,
Working Paper
, Title:

Designing Novel Bisquinoline Antimalarials from Historical 4-Aminoquinolines

, Authors: Mason Handford, Yuexin Li, Terry Riscoe, Xiaowei Zhang, Jane Kelly, Michael Riscoe
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.26434/chemrxiv-2025-kvgsw
 
Subject: Economics
,
Presentation
, Title:

GREEN GOLDMINE: ECO-ENTREPRENEURSHIP AND THE PURSUIT OF SUSTAINABLE PROSPERITY IN NIGERIA

, Authors: Makepeace Deorji
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.33774/coe-2025-kjl3f
 
Subject: Language and Linguistics
,
Working Paper
, Title:

The Neurocognitive Bandwidth of Language: Tempo – Information Density Balance, Linguistic Structure, and Philosophical Thinking

, Authors: Connie Yang, Mike Yang
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.33774/coe-2025-50l28
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Why (Not) Talk About Human Rights? Politics in the Global Digital Compact

, Authors: Sara Morrell
Version undefined posted 26 August 2025
Posted
Aug 26, 2025
10.33774/apsa-2025-r5kbg-v3
 
Subject: Chemistry
,
Working Paper
, Title:

On Bloch-Siegert effects in MAS NMR of spin-3/2 nuclei: quasi-isotropic 1D spectra

, Authors: Diego Carnevale
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-st1bt
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Undermining the Fourth Estate: Elite Attacks on Media Credibility

, Authors: David A. Beavers
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.33774/apsa-2025-hvrpr-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

DID DONALD TRUMP RECEIVE A MANDATE FOR SWEEPING CHANGE IN 2024?

, Authors: George Edwards
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.33774/apsa-2025-pbrdx
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Racial Identity Claims in the #TrudeauMustGo Data

, Authors: Stuart Shulman
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.33774/apsa-2025-0v8rc
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Effects of Political Shocks on Aggregate Vote Preferences in the 2024 Election

, Authors: Gary Jacobson
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.33774/apsa-2025-tbqb1
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Cartographic Power: Reality–Protocol Theory (RPT) and the Politics of the Maps We Live Inside

, Authors: Joshua Luberisse
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.33774/apsa-2025-wtxgd
 
Subject: Chemistry
,
Working Paper
, Title:

Universal Upconversion Amplification via 4d-4f Hybridization in Ln³⁺/MoO₄²⁻ Co-doped Fluorapatite: Mechanism and Applications

, Authors: Boyang Wang, Yuankun Ren, Xiaohan Wei, Wei Yang, Haoming Su, Yu Liu, Jiaqi Liang, Xiyu Li
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-9dp08
 
Subject: Chemistry
,
Working Paper
, Title:

Some Meta-Graph Structures: Mixed Graph, DiHyperGraph, Knowledge Graph, Intersection Graph, and Chemical Graph

, Authors: Takaaki Fujita
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-9pxz7
 
Subject: Chemistry
,
Working Paper
, Title:

Digital Membrane Chromatography — A New Way to Rapid Antibody Purification for Top-Down Mass Spectrometry

, Authors: Kilian Müller, Julia Rößler, Anna Klassen, Myllena Pereira Silverio, Florian Schmitt, Hannes Passuth, Bente Siebels, Hartmut Schlüter, Maria Riedner
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-54k6j
 
Subject: Chemistry
,
Working Paper
, Title:

Backbone rigidity of disordered protein linkers from synergistic combination of NMR experiments and MD simulations

, Authors: Efstathia Mantzari, Cajsa Malm, Ricky Nencini, Amanda Sandelin, Samuli Ollila
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-rs1dh
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Decomposition of Ion Transport in Amorphous Polymer Electrolytes via Molecular Dynamics

, Authors: Pablo Leon, KyuJung Jun, Kiarash Gordiz, Yang Shao-Horn, Rafael Gomez-Bombarelli
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-fs6gj
 
Subject: Chemistry
,
Working Paper
, Title:

Redox Regulated Non–Volatility Switching in Single Nanopipette Memory–Diodes

, Authors: Dipak Baram, Ruoyu Yang, Gangli Wang
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-x4d8s
 
Subject: Chemistry
,
Working Paper
, Title:

Tip-scan high-speed atomic force microscopy in organic solvent: A versatile tool for visualizing dynamic behaviors of soft-materials

, Authors: Honami Matsui, Christian Ganser, Kenta Tamaki, Qiming Liu, Feng-Yueh Chan, Takayuki Uchihashi, Prabhat Verma, Yoshimitsu Sagara, Shiki Yagai, Takayuki Umakoshi
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-z5rnr
 
Subject: Chemistry
,
Working Paper
, Title:

Are N-Heterocyclic Carbene Radical Cations Relevant Intermediates in Radical Transformations?

, Authors: Preslav Smits, Ludivine Delfau, Sheima Bougoffa, Florian Molton, Jacques Pecaut, Julie Broggi, Eder Tomás-Mendivil, David Martin
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-rf2jv
 
Subject: Chemistry
,
Working Paper
, Title:

Aggregation-Induced Emission Enhancement (AIEE) in a Piperazine-Linked Naphthalimide

, Authors: Viral Khatri, Alisha Sengupta, Nidhi Gour
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-pztnk
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic Bound States of Solvated Electrons in High Chemical Hardness Solvents

, Authors: XIANGFEI wang
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-66r07
 
Subject: Chemistry
,
Working Paper
, Title:

Dissecting Halide-Receptor Interactions in “Four Wall” Aryl-Extended Calix[4]pyrrole complexes: The Role of the Aromatic Walls.

, Authors: Lane M. Terry, River A. Leversee, Gemma Aragay, Pablo Ballester, Anne B. McCoy, J. Mathias WEBER
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-4md23
 
Subject: Chemistry
,
Working Paper
, Title:

Amplification of Lanthanide - f-orbital differences by a Redox-Non-Innocent Semiquinone

, Authors: David Fiszbein, Maria Beltran-Leiva, Guodong Rao, R David Britt, Enrique Batista, Wayne Lukens, Ping Yang, Polly Arnold
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-89g00
 
Subject: Chemistry
,
Working Paper
, Title:

Climbing hall characteristics have only minor influence on the concentrations of rubber-derived compounds in dust, highlighting the need for safe and sustainable-by-design material-level solutions

, Authors: Anya Sherman, Laura Lotteraner, Leah K. Maruschka, Thilo Hofmann
Version undefined posted 27 August 2025
Posted
Aug 27, 2025
10.26434/chemrxiv-2025-mg0ws
 
Subject: Chemistry
,
Working Paper
, Title:

Triple Threat Bismuth Peptide Imaging in Cells

, Authors: Saan Voss, Clinton Kidman, Liam Adair, Terry Koh, Ani Baker, Daryl Howard, Elizabeth New, Hugh Harris, Christoph Nitsche
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-w9pdn
 
Subject: Chemistry
,
Working Paper
, Title:

MolAtlas: a visualization framework for molecular property distributions to guide functional molecule development

, Authors: Kei Terayama, Shoichi Ishida, Mete Sourav, Kensuke Suga, Ryo Tamura, Shohei Saito, Takashi Nakanishi, Masanobu Naito, Koji Tsuda, Masato Sumita
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-lm0fz
 
Subject: Chemistry
,
Working Paper
, Title:

Machine-learning ice spectra: from 1 to 256 features

, Authors: Shokirbek Shermukhamedov, Jolla Kullgren, Daniel Sethio, Kersti Hermansson
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-zfpk3
 
Subject: Chemistry
,
Working Paper
, Title:

GAP vs. MACE: Efficiency evaluation in a liquid electrolyte system

, Authors: Anton Beiersdorfer, Lisa Hetzel, Carsten Staacke, Florian Deißenbeck, Christopher Johannes Stein
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-z8dhb
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Conversion of (Bi)carbonate-based CO2 Capture Solutions to Ethylene on Porous Copper-based Nanowire Electrodes

, Authors: Ashkan Irannezhad, Reza Eslami, Amirhossein Rakhsha, Sam Fahrngruber, Navid Noor, Mahtab Masouminia, Nima Shakourifar, Shayan Angizi, Zahra Teimouri, Amirhossein Foroozan, Christine Gabardo, Colin O’Brien, Michael Pepe, Benzhong Zhao, Drew Higgins
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-swbmd
 
Subject: Chemistry
,
Working Paper
, Title:

Exploring the Parameter Space of Colloidal High-Entropy Alloy Synthesis Methods

, Authors: Danielle Getz, Tobias Mølgaard Nielsen, Cecilie Bush Krogh, Adrián Sanz Arjona, Rebekka Klemmt, Rasmus Rohde, Espen Drath Bøjesen, Kirsten Marie Ørnsbjerg Jensen
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-kw5c3
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Effects in Electric-Field–Driven Dissociation of Liquid Hydrogen Fluoride

, Authors: Gabriele Amante, Salvatore Savasta, Franz Saija, Giuseppe Cassone
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-tvh3f-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Adsorption and Dissociation of CO on Gold Surfaces: Effect of Coverage and Adatom Clusters

, Authors: Lance Kavalsky, Manos Mavrikakis
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-k4d1v
 
Subject: Chemistry
,
Working Paper
, Title:

Electrocatalytic Ammonia Oxidation with a Highly Preorganized Metal-Metal Cooperative Diruthenium Complex

, Authors: Maximilian Seiß, Xiaoquan Chen, Bowei Yuan, Sebastian Dechert, Jana Roithová, Shengfa Ye, Franc Meyer
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-2qrkh
 
Subject: Chemistry
,
Working Paper
, Title:

From Amorphous Bundles to Nanoporous Peptide Frameworks: Solvent-driven Self-assembly of Pro-Val-Pro-Val

, Authors: Kacper Drużbicki, Piotr Paluch, Rafał Dolot, Irena Bąk-Sypień, Ewelina Kuc, Agata Jeziorna, Marek J. Potrzebowski
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-s97zv
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of 5-Chlorotryptophan-Containing Antibiotics through Metabologenomics-assisted High-throughput Screening

, Authors: Chantal D. Bader, Isao Masuda, Angela L. Nichols, Edward Kalkreuter, Dong Yang, Thomas Christian, Yuko Nakano, Ya-Ming Hou, Ben Shen
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-0q83g
 
Subject: Chemistry
,
Working Paper
, Title:

Room-Temperature Preservation of mRNA using Deep Eutectic Solvent

, Authors: Hoang Dinh, Michael Kegel, Drew Weissman, Jilian Melamed, Kathleen Stebe, Daeyeon Lee
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-js4lr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Selective Decarboxylative Dimerization via Molecular Self-Assembly-Induced Confinement Effects

, Authors: Shenwei Chen, Haiwei Wang, Xianfei Xu, Zhaokun Wang, Suya Dai, Xiang Zhang, Yongjie Chen, Yucheng Song, Cunfeng Zheng, Zengfu Ou, Yi Ji, Jin Li, Zechao Yang, Hongbing Ji
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-g32p1
 
Subject: Chemistry
,
Working Paper
, Title:

A kinase-responsive synthetic ion channel

, Authors: Nanami Takeuchi, Iiro Kiiski, Shoko Fujita, Alexandre Legand, Tomoki Tateishi, Reiko Sakaguchi, Tomoko Inose, Kenji Usui, Shuhei Furukawa, Ryuji Kawano
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-b65h5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Surface Segregation–Driven Composition–Activity Mapping of High-Entropy Alloy Nanoparticles for Oxygen Reduction Reaction

, Authors: Qingyang Ye, Yiran Cheng, Liang Cao
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2024-m3s9j-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Mining Chemical Space with Generative Models for Battery Materials

, Authors: Chiku Parida, Diptendu Roy, Juan Maria Garcia Lastra, Arghya Bhowmik
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-q48jr-v2
 
Subject: Chemistry
,
Working Paper
, Title:

[3]CycloBODIPY: A Highly Strained Cyclic BODIPY Trimer with Effective Macrocyclic Conjugation

, Authors: Masaki Sugino, Yoshitaka Tsuchido, Rento Maeda, Ichiro Hisaki, Hideaki Takano, Hiroshi Shinokubo
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-p5339
 
Subject: Chemistry
,
Working Paper
, Title:

Application of Clar’s Rule for Assessing the Effect of an Epoxy Group on the Stability and Band Gap of Graphene Quantum Dots: a Coronene-Based DFT Study

, Authors: Dmitry Romanov, Igor Ershov, Anatoly Lavrentyev
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-t6hgc-v4
 
Subject: Chemistry
,
Working Paper
, Title:

Defect-Driven Polaron Localization in π-Conjugated Systems: The Role of Spatial Correlation and Coulomb Binding

, Authors: Abhradeep Sarkar, Amiya Paul, Raja Ghosh
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-491wk-v2
 
Subject: Chemistry
,
Working Paper
, Title:

A Closed-Loop Deep Generative Model for the Inverse Design of Radiation-Resistant Polymers

, Authors: Nived Nandakumar
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-0w5mv
 
Subject: Chemistry
,
Working Paper
, Title:

Aerobic Base-free C–H Bond Activation at a Pd Center in Aqueous Conditions

, Authors: Dae Young Bae, Nicholas Ruhs, Liviu Mirica
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-zxdm5
 
Subject: Chemistry
,
Working Paper
, Title:

A modular design approach to allow the identification of photoactive structures in solid molecular catalysts

, Authors: Keanu V. A. Birkelbach, Sarah Brettschneider, Philipp Huth, Marcel A. Liauw, Regina Palkovits
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-86f9b
 
Subject: Chemistry
,
Working Paper
, Title:

One To Rule Them All: A Universal Interatomic Potential Learning Across Quantum Chemical Levels

, Authors: Yuxinxin Chen, Pavlo O. Dral
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2024-ng3ws-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Analysis of the effect of impact loadings on the gas permeability properties of CF-PA6 composites

, Authors: Jan Condé-Wolter, Max Vater, Martin Auer, Christian Düreth, Anton Gelencsér, Alexander Liebsch, Christoph Ebert, Maik Gude
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-2rpw4
 
Subject: Chemistry
,
Review
, Title:

The Origin of Biomolecular Homochirality

, Authors: Jingjing Wu, Meng Su
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-h5kck
 
Subject: Chemistry
,
Working Paper
, Title:

Stereochemical Dissection of the Strobilurin PKS Reveals the Complex Biosynthetic Logic of Iterative EZE Triene Construction

, Authors: Maurice Hauser, JIng Pang, Daowan Lai, Yunlong Sun, Hao Yao, Russell Cox
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-lmg8x-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Higher-Level Structural Classification of Pseudomonas Cyclic Lipopeptides through Their Bioactive Conformation

, Authors: Benjámin Kovács, Durga Prasad, Vic De Roo, Matthias Vanheede, Penthip Muangkaew, Annemieke Madder, Monica Höfte, René De Mot, Niels Geudens, José C. Martins
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-lt43z-v2
 
Subject: Chemistry
,
Working Paper
, Title:

An Adapted Similarity Kernel and Generalised Convex Hull for Molecular Crystal Structure Prediction

, Authors: Jennie Martin, Michele Ceriotti, Graeme Day
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-2tt4c-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Substituent Effects Govern the Efficiency of Isoxazole Photoisomerization to Carbonyl-2H-Azirines

, Authors: Kyra Jackson, Isabelle Szeto, Leah Seebald, Samuel Shepard
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-4rhg6-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Aldehydes as Reducing Agents: Ruthenium Catalyzed Reductive Alkylation Reactions

, Authors: Fedor Kliuev, Sofiya Runikhina, Oleg Afanasyev, Denis Chusov
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-p60t9
 
Subject: Chemistry
,
Working Paper
, Title:

Oxidation-degradable resins for 3D-printing of cell-responsive biomaterials

, Authors: Reinaldo Dos Santos, Wesley Wynn, Lindsey Marquez, Ejajul Hoque, Benjamin Yavitt, Greg Harris, John Martin
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-8m2k6
 
Subject: Chemistry
,
Working Paper
, Title:

Structure-Guided Design of Potent and Selective Covalent Inhibitors of SARS-CoV-1 and SARS-CoV-2 Papain-like Proteases with Antiviral Activity.

, Authors: Abdullah I. Al-Homoudi, Narva Deshwar Kushwaha, Hariprasad Aruri, Jacob Tartamella, Nathaniel Moorman, Mark T. Heise, Ladislau Kovari, Navnath S. Gavande
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-69806
 
Subject: Chemistry
,
Working Paper
, Title:

Myth or Reality: Is Hypoxia Really a Problem in Photodynamic Therapy?

, Authors: Yiyi Zhang, Zhenhua Chen, Tao Feng, Pierre Mesdom, Hui Chao, Gilles Gasser
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-38kth
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Dynamics of Water Hexamer Anions at Cryogenic Temperatures

, Authors: Ákos Galvács, Krisztán Golobits, Ádám Madarász, Daniel Laria, László Turi
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-55nsw
 
Subject: Chemistry
,
Working Paper
, Title:

Pyrene-4,5-dione as a Visible-Light Organic Photocatalyst for Photooxidation, Photoredox, Energy Transfer, and HAT Reactions

, Authors: Rodolfo I. Teixeira, Joseph Anslow, Nanci C. de Lucas
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-4p7cq
 
Subject: Chemistry
,
Working Paper
, Title:

Gas Evolution in Ruddlesden-Popper-type Intercalation Cathodes in All-Solid-State Fluoride-Ion-Batteries: Implications on Battery Performance and Synthesis of Highly Oxidized Oxyfluorides

, Authors: Tommi Hendrik Aalto, Jonas Jacobs, Felix Frey, Dörthe Schiewe, Oliver Clemens
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-cdvgr
 
Subject: Chemistry
,
Working Paper
, Title:

Harnessing carbenoid reactivity from imidazoles and oxiranes

, Authors: Matthias Steiner, Johanna M. Uher, Jürgen Lindner, Cordula M. Zeiler, Christian Slugovc
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-q70q9-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical Oxygen-Atom Transfer to Alkenes and Pyridines with a MnPorphyrin Catalyst Using Water as the Source of Oxygen

, Authors: Suha Yacoob, Md Asmaul Hoque, Tianxiao Jiang, Matthew D. Graaf, Shannon Stahl
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-bdcvh
 
Subject: Chemistry
,
Working Paper
, Title:

Optimization of species-selective reversible proteasome inhibitors for the treatment of malaria

, Authors: Suraksha Gahalawat, Sneha Ray, Xiaoyu Zhang, Xiaoyi Deng, Yan Han, Zhe Chen, Aloysus Lawong, David Shackleford, Kasiram Katneni, Gong Chen, Peng Li, Alice Ng, Longjin Zhong, Meiyu Hu, Mitchell McInerney, Wen Wang, Jessica Saunders, Daniel Collins, Jaya Jayaseelan, Cassandra Noack, Bikash Maity, Nirupam De, Benoit Laleu, Simon Campbell, Margaret Phillips, Susan Charman, Joseph M. Ready
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-f64v2-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Polyol-Assisted Aqueous Synthesis of HKUST-1 Enables Direct Protein Encapsulation

, Authors: Jesús Cases Díaz, Mónica Giménez-Marqués
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-92sph
 
Subject: Chemistry
,
Working Paper
, Title:

Impact of metallic interlayers at the lithium – Li6PS5Cl solid electrolyte interface

, Authors: Souhardh Kotakadi, Jack Aspinall, Matthew Burton, Yi Liang, Yuichi Aihara, Mauro Pasta
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-bfts2
 
Subject: Chemistry
,
Working Paper
, Title:

Directed Evolution of Enzymes for Bioorthogonal Chemistry Using Acid Chloride Proximity Labeling

, Authors: Ashley Ogorek, Shubhashree Pani, Eli Mertick-Sykes, Jelena Momirov, Yichong Lao, Fernando Banales Mejia, Rachel St Chan, Xuhui Huang, Bryan Dickinson, Jeffrey Martell
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-d6bzr
 
Subject: Chemistry
,
Working Paper
, Title:

Graph-based prediction of reaction barrier heights with on-the-fly prediction of transition states

, Authors: Johannes Karwounopoulos, Jasper De Landsheere, Leonard Galustian, Tobias Jechtl, Esther Heid
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-w2kgt-v4
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Imperial Demopolitics and National Identity Formation in Central-Eastern Europe

, Authors: Kacper Grass
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.33774/apsa-2025-g2b0p
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Sustaining Social Cohesion: “Project Institutions” as Conditions for Long-term Peacebuilding

, Authors: Eduardo Pages, Danice Brown Guzman
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.33774/apsa-2025-qh8h4
 
Subject: Engineering
,
Working Paper
, Title:

Advancing Methodological Consistency in CLEWs Modelling: Introducing the Model Development Infrastructure

, Authors: Georgios Avgerinopoulos, Annie Flint Smith, Kavya Abeysundara, Mark Howells
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.33774/coe-2025-vst77
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Geometry as Thermodynamics: Deriving Gravitational Dynamics from Entropic Principles

, Authors: WEN-XIANG CHEN
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.33774/coe-2025-hf1gl
 
Subject: Physics and Astronomy
,
Working Paper
, Title:

Hawking Radiation and Superradiance in Hairless Black Holes

, Authors: WEN-XIANG CHEN
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.33774/coe-2025-dmp42
 
Subject: Computer Science
,
Working Paper
, Title:

Advancing Safety-Critical Scenario Generation for Autonomous Vehicle Testing: Integrating In-Depth Crash Data and Advanced Generative Models

, Authors: X. Zhang
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.33774/coe-2025-rjqw5
 
Subject: Computer Science
,
Working Paper
, Title:

Multimodal Large Language Model (MLLM) Noise Resistance

, Authors: Prasham Shah
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.33774/coe-2025-6z9zx
 
Subject: Chemistry
,
Working Paper
, Title:

A Dual Fe(LMCT)/Ni(SH2) Catalytic Platform Enables Methylation of Native Carboxylic Acids by Direct Peripherical Editing

, Authors: Mohammad Jaber, Gaël Tran, Abderrahmane Amgoune
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-1qdsz
 
Subject: Chemistry
,
Review
, Title:

Using solution-phase NMR spectroscopy to study the folding and supramolecular assembly of conformationally constrained β-sheet peptides

, Authors: Jason Zhu, James Nowick
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-d9pxp
 
Subject: Chemistry
,
Working Paper
, Title:

Prospective Life Cycle Assessment of Cellulose Nanofiber-Reinforced Plastics Produced by the Reactive Processing Method, Considering Continuous Production and Scale-up for Industrialization

, Authors: Yuko Saiki, Yuichiro Kanematsu, Satoshi Ohara, Masahiko Hirao, Ichiro Daigo, Tomoko Fuchigami, Hiroyuki Yano, Yasunori Kikuchi
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.26434/chemrxiv-2025-9043k
 
Subject: Politics and International Relations
,
Working Paper
, Title:

AI as a threat?: Evidence from Reddit

, Authors: Nu Thuy Duong Ton
Version undefined posted 28 August 2025
Posted
Aug 28, 2025
10.33774/apsa-2025-8178v
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative Food Biomarkers Enable Dietary Ontology Referencing Across 500 Foods and Human Plasma

, Authors: Julius Agongo, Harsha Gouda, Aubreyana E. McMaugh, Celeste Allaband, Seyedeh Mehrnaz Aghili, Marta Sala-Climent, Shipei Xing, Jennifer Cao, Jasmine Zemlin, Mingxun Wang, Kathleen Dorrestein, Tiffany Holt, Rob Knight, Brigid S. Boland, Monica Guma, Pieter C. Dorrestein
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-rkjhd
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and Conformation of Defect-Free, Strained, and Non-Aggregated Conjugated Ladder Polymers

, Authors: James Shao-Jiun Yang, Vijaya Sundar Jeyaraj, Guorong Ma, Daniel Doria, Xiaodan Gu, Daniel Tabor, Lei Fang
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-3blt6
 
Subject: Chemistry
,
Working Paper
, Title:

Discovery of the directing effect of indole for non-aromatic C-H activation in the palladium-catalyzed cross-dehydrogenative coupling with β-ketoesters

, Authors: Anton A. Nechaev, Samat Tussupbayev, Anton Bannykh, Matias Lönnblad, Andrey Belyaev, Petri M. Pihko, Vsevolod A. Peshkov
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-qm734
 
Subject: Chemistry
,
Working Paper
, Title:

Chemo-, Diastereo-, and Enantioselective (3+2) Cycloadditons of Bicyclobutanes with Enals Enabled by Synergistic Palladium and Organocatalysis

, Authors: Feng Wu, Quanxin Peng, Yu-Jie Li, Yuanjiu Xiao, Jian-Jun Feng
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-bdj32
 
Subject: Chemistry
,
Working Paper
, Title:

Ligand Exchange of Tris(2,4-di-tert-butylphenyl) Phosphite: A Practical and Efficient Route to Organo Gold(I) Complexes

, Authors: David Vesseur, Sonia Mallet-Ladeira, Didier Bourissou
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-mm6ll
 
Subject: Chemistry
,
Working Paper
, Title:

Engineering the Surface Chemistry of Mesoporous Bioactive Glasses via Spray Pyrolysis: The Role of Ag and Ce Doping.

, Authors: Mannie Belay Taye, Andualem Belachew Workie, Shao-Ju Shih
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-3cvvv
 
Subject: Chemistry
,
Working Paper
, Title:

Stereochemical Revision of Brevipetins E and F: Opposite Hexahydroxydiphenoyl Atropisomerism in Ellagitannin Dimers Revealed by DFT-Based Spectroscopic Analysis

, Authors: Yosuke Matsuo, Ryo Ohtsuka, Yoshinori Saito, Koji Yamada, Takashi Tanaka, Fumika Yakushiji
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-dsdpf-v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Longer, the Stronger: Alkyl Chain Engineering for High-Brightness NIR-II AIE Nanoprobes towards High-Resolution In Vivo Bioimaging

, Authors: kui ren, Xue Li, Jun Zhu, Hao Yang, Zengming Yang, Fusheng Zhang, Caifa You, Shuo xiang, Ye Tong, Juncheng Chen, Xin Gao, Miaomiao Kang, Mian He, Peng Fei, Dongyu Li, Zhijun Zhang, Dong Wang, Ben Zhong Tang
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-bctb9-v2
 
Subject: Chemistry
,
Review
, Title:

Natural Product Diversity and Functional Roles of 1 Penicillium Endophytes from Medicinal Plants

, Authors: Israt Jahan, Zijun Guan, Ping Li, Jian Yan
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-5fgsj
 
Subject: Chemistry
,
Working Paper
, Title:

Transient metabolon dynamics tune enzyme specificity

, Authors: Riki Imaizumi, Toshiyuki Waki, Yoshikazu Hattori, Kohei Takeshita, Miru Sumita, Kazutomo Kawaguchi, Hiroyuki Kumeta, Kenichi Umeda, Kyohei Sato, Taro Yanai, Hiroaki Matsuura, Takeshi Yokoyama, Risa Omura, Kayo Nakatani, Naoki Sakai, Yukimura Kawagiwa, Yamato Doi, Aoi Yasuda, Takuya Nakano, Kaichi Uno, Kunihiro Yoshida, Misato Tsunashima, Tomohide Saio, Yoshikazu Tanaka, Seiji Takahashi, Noriyuki Kodera, Kunishige Kataoka, Masaki Yamamoto, Satoshi Yamashita, Toru Nakayama
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-npkrm
 
Subject: Chemistry
,
Review
, Title:

Comparative Review of Bioassay-Guided Isolation and Metabolomics: Toward Hybrid Strategies in Natural Product Drug Discovery

, Authors: Ummu Mastna Zuhri, Joko Wibowo, Berna Elya
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-h1pp9
 
Subject: Chemistry
,
Review
, Title:

Fragment: An Open-Source Framework for Multiscale Quantum Chemistry Based on Fragmentation

, Authors: Dustin Broderick, Paige Bowling, Chance Brandt, Sigrun Childress, Joshua Shockey, Jonah Higley, Haden Dickerson, Syed Sharique Ahmed, John Herbert
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-1k4k6-v2
 
Subject: Chemistry
,
Review
, Title:

Extended Symmetry-Adapted Perturbation Theory (XSAPT): A Cubic-Scaling Platform for Computing Accurate Intermolecular Interaction Energies and ab Initio Energy Decomposition Analysis

, Authors: John Herbert, Montgomery Gray, Kuan-Yu Liu, Kevin Carter-Fenk
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-vctg5-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating changes in thiophene-bearing quinones of the archaeon Acidianus manzaensis after exposure to Mars-like conditions

, Authors: Sebastian V. Gfellner, Janina Groninga, Cyril Colas, Guillaume Gabant, Andreas Lorek, Stephen Garland, Mickael Baqué
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-xc7vd-v3
 
Subject: Chemistry
,
Working Paper
, Title:

Initiating Olefin Metathesis: Alkylidenes from Molecular Mo(IV)–Oxo Species, Olefins and Base-Promoted Proton Transfer

, Authors: Darryl F. Nater, Felix J. de Zwart, Nicolas Kaeffer, Christophe Copéret
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-d721b
 
Subject: Chemistry
,
Working Paper
, Title:

Dual-Function 2D Vanadium Disulfide for Energy Storage and Biosensing: Toward Self-Powered Neurotransmitter Detection

, Authors: Matteo Massetti, Yeonkyung Lee, Nagaraju Goli, Han-Yan Wu, Chi-Yuan Yang, Lifu Zhang, Siyuan Yang, Deyu Tu, Simone Fabiano, Cecilia Mattevi
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-sfpkf
 
Subject: Chemistry
,
Working Paper
, Title:

Predicting the thermodynamics and kinetics of protein-protein interaction from spontaneous association simulations

, Authors: Line Mouaffac, Karen Palacio Rodriguez, Alessandro Barducci, Peter Bolhuis, Isabelle Callebaut, Fabio Pietrucci
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-cc60b-v2
 
Subject: Chemistry
,
Working Paper
, Title:

Covalent Organic Framework–Carbon Nanotube Core–Shell Nanohybrids for Enhanced Catalytic Site Utilization of Molecular Catalysts in CO2 Electroreduction

, Authors: Liang Yao, Andres Rodríguez-Camargo, Roman Guntermann, Fabian Heck, Samuel Van Gele, Hugo Vignolo-González, Viola Duppel, Thomas Bein, Bettina Lotsch
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-mtlg9
 
Subject: Chemistry
,
Working Paper
, Title:

Assessment of Protein Conformation via Diazirine-Promoted Oxidation

, Authors: Supadach Prertprawnon, Salem Neufeld, Nicholas Borotto
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.26434/chemrxiv-2025-s5jct
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Uneven Roads: State-level variations in consumer benefits and regulations for purchasing and operating EVs

, Authors: Lerone Laing
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.33774/apsa-2025-47vn2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Shocks and Cultural Adaptations: A Case Study From Northern Kenya

, Authors: Eleonora Zanetti
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.33774/apsa-2025-vnz17
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Justice, Injustice, and Mercy

, Authors: Paul Babbitt
Version undefined posted 29 August 2025
Posted
Aug 29, 2025
10.33774/apsa-2025-p980b
 
Subject: Law
,
Working Paper
, Title:

THE EVOLUTION OF CONSUMER PROTECTION LAW - SAFEGUARDING BUYERS’ LEGAL RIGHTS FOR SALE OF GOODS CONTRACT

, Authors: Dewan Mahfujul Hasan
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.33774/coe-2025-kttp1
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational and Tautomeric Effects on Sulfonated Azo Dyes: A Prelude to Photodegradation

, Authors: Rodrigo Araujo Mendes, Victor A. S. da Mata, Ismael A. Elayan, Alex Brown, Gabriel L. C. de Souza
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.26434/chemrxiv-2025-rfk58
 
Subject: Chemistry
,
Working Paper
, Title:

VENUSpy: A Chemical Dynamics Simulation Program in the Era of Machine Learning and Exascale Computing

, Authors: Kazuumi Fujioka, Jonathan Waldrop, Ryan Richard, Yuheng Luo, Theresa Windus, Rui Sun
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.26434/chemrxiv-2025-ch56h
 
Subject: Chemistry
,
Working Paper
, Title:

Adaptive allocation of Monte Carlo samples for efficient, multi-fidelity computational screening of metal-organic frameworks

, Authors: Qia Ke, N. Scott Bobbitt, Jana Doppa, Huazheng Wang, Cory Simon
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.26434/chemrxiv-2025-0mclm
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical Radical Ring-Opening Alkylation of Cyclopropanols with Katritzky Salts

, Authors: Ulada Karotsina, Kirill Stasko, Ivan Lysenko, Alaksiej Hurski
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.26434/chemrxiv-2025-95lk3
 
Subject: Chemistry
,
Working Paper
, Title:

Branched Polyacrylonitrile Enabling Highly Lithium-Ion-Conductive Polymer Plastic Crystal Electrolytes

, Authors: Xin Liu, Junlong Yang, Feichen Cui, Zixiao Wang, Honglu Huang, Hua Liu, Yipeng Zhang, Chao Xu, Jiajun Yan
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.26434/chemrxiv-2025-hl9s2
 
Subject: Chemistry
,
Working Paper
, Title:

Dopant-dependent boron arrangement and chemistry of metal boride surface

, Authors: Zisheng Zhang, Frank Abild-Pedersen
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.26434/chemrxiv-2025-n7vjs
 
Subject: Chemistry
,
Working Paper
, Title:

Exceptional Photorheological Switching of Solventless Polymer Networks Enabled by Precisely Architected Flexible Star Polysiloxanes

, Authors: Satoshi Honda, Yi Zhang
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.26434/chemrxiv-2025-r1z3f
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Beyond the Bloc: Black Voter Subgroups & Declining Democratic Support

, Authors: Arica Schuett
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.33774/apsa-2025-x95cm-v2
 
Subject: Politics and International Relations
,
Working Paper
, Title:

When Politics Appears Bleak: Revisiting Civic Hope During Democratic Backsliding

, Authors: Michael McDevitt, Janet Donavan, Leah Sprain
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.33774/apsa-2025-ks0fc
 
Subject: Politics and International Relations
,
Poster
, Title:

Patent Pivot: Impact of India’s 2005 Patents Amendment using Synthetic DiD

, Authors: Sonali Singh
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.33774/apsa-2025-0rvsb
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Working Class Support for Right Wing Nationalism: A Comparative Analysis

, Authors: Ekim Kilic
Version undefined posted 30 August 2025
Posted
Aug 30, 2025
10.33774/apsa-2025-5rvnx
 
Subject: Chemistry
,
Review
, Title:

Disclosing the structure and dynamics of naphthalene-diimide based organic mixed ionic-electronic conductors at the molecular scales

, Authors: Marco Severi, Simiao Yu, Isaac Abrahams, Christian Nielsen, Daniele Fazzi
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-0tvmz
 
Subject: Chemistry
,
Working Paper
, Title:

Identifying Spectral Biomarkers for Migratory Potential in Cancer Cells Using FTIR and O-PTIR Spectroscopy

, Authors: Elisabeth Holub, Nikolaus Hondl, Kai-Lan Lin, Marjaana Parikainen, Cecilia Sahlgren, Bernhard Lendl, Georg Ramer
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-k5n4v
 
Subject: Chemistry
,
Working Paper
, Title:

Polymer-assisted direct and rapid microwave synthesis of mesoporous binary and ternary metal oxides for electrocatalytic water oxidation

, Authors: Jasmin Helgert, Jana Timm, Roland Marschall
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-x9h3z
 
Subject: Chemistry
,
Working Paper
, Title:

The Taming of the Shrew: Using Mild Heavy-Atom Effect for Constraining Molecular Vibrations in a Triphenylamine Donor-Acceptor System for Enhanced Photo- and Electroluminescence

, Authors: Michał Mońka, Daria Grzywacz, Patryk Kamiński, Piotr Pander, Andrew Monkman, Illia Serdiuk
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-d458t
 
Subject: Chemistry
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Working Paper
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Distinguishing Isomeric Caffeine Metabolites through Protomers and Tautomers using Cryogenic Gas-Phase Infrared Spectroscopy

, Authors: Niklas Geue, Gurpur Rakesh D. Prabhu, Eleonora Renzi, Caitlin Walton-Doyle, Gerard Meijer, Gert von Helden, Kevin Pagel
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-7xjpx
 
Subject: Chemistry
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Working Paper
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Data-driven Design of PROTAC Linkers to Improve PROTAC Cell Membrane Permeability

, Authors: Yuki Murakami, Shoichi Ishida, Nobuo Cho, Hitomi Yuki, Masateru Ohta, Teruki Honma, Yosuke Demizu, Kei Terayama
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-24kkf
 
Subject: Chemistry
,
Working Paper
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The Berry curvature in the framework of current density functional theory for molecules in external magnetic fields

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Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-20gfm
 
Subject: Chemistry
,
Working Paper
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Systematically Verified Experimental Thermoelectric Dataset For Data-driven Approaches

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Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-4gxmc
 
Subject: Chemistry
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Working Paper
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DPχ: Constant-Potential Machine-Learning Potentials for Large-Scale Electrocatalysis

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Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-6vcnc
 
Subject: Chemistry
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On the Reproducibility of Free Energy Surfaces in Machine-Learned Collective Variable Spaces

, Authors: Florian M. Dietrich, Matteo Salvalaglio
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-g6q8f-v5
 
Subject: Chemistry
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Working Paper
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Integrating Equivariant Architectures and Charge Supervision for Data-Efficient Molecular Property Prediction

, Authors: Zixiao Yang, Hanyu Gao, Xian Kong
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-fmlp5-v2
 
Subject: Chemistry
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Working Paper
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From Microcurrents to Macrodynamics: Harnessing Mixed Potentials for Large, Tunable Acceleration of Belousov–Zhabotinsky Oscillations

, Authors: Sandro Agostini, Philippe Schwaller, Juan Pérez-Mercader, Armin Knoll, Heiko Wolf
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-wrt8d-v3
 
Subject: Chemistry
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Working Paper
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Teaching chemists to code with diversity in mind: a pedagogy of belonging for end-user conditions

, Authors: Marie van Staveren
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-sbhws-v2
 
Subject: Chemistry
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Working Paper
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A Novel Hybrid SPPS/LPPS Strategy for the Synthesis of Tirzepatide via Native Chemical Ligation

, Authors: Ankur Jalan, Emily Murzinski, Patrick Jansen, Matthew Embry, Roger Scherer, John Moomaw, Katerina Williams, Cyrus Fisher, Emily Guinn, Jing Teng, Michael Kopach
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-g9qcl-v2
 
Subject: Medicine (excluding clinical)
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Working Paper
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Comparative National Prescriptive and Dosimetric Characteristics of Beta-Blocker Therapy in Asian Heart Failure Patients

, Authors: Jonathan Kenigson
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.33774/coe-2025-f3p1k
 
Subject: Life Sciences
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Working Paper
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A general relationship between carrying capacity and extinction risk

, Authors: Thomas Ball, Ben Balmford, Andrew Balmford, Daniele Rinaldo, Piero Visconti, Barry Brook, Rhys Green
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.33774/coe-2024-m9dqp-v3
 
Subject: Chemistry
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Working Paper
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MolEncoder: Towards Optimal Masked Language Modeling for Molecules

, Authors: Fabian Per Krüger, Nicklas Österbacka, Mikhail Kabeshov, Ola Engkvist, Igor Tetko
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-h4w9d
 
Subject: Chemistry
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Working Paper
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Rare Earth–Transition Metal Cooperativity in the Ring-Opening Polymerisation of Tetrahydrofuran

, Authors: Rwitabrita Panda, Fabian Rang, Franziska Flecken, Patrick Weis, Sven Schneider, Patrick Theato, Schirin Hanf
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-tcv7p
 
Subject: Chemistry
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Non-isocyanate polyurethane (NIPU) Films for Dual-Function Humidity Sensing and Hydroplasticization Monitoring by harnessing Clusteroluminescence

, Authors: Manas Mahapatra, Maxime Bourguignon, Pierre Stiernet, Sofia Melo, Bruno Grignard, Marylene Vandevenne, Moreno Galleni, Christophe Detrembleur
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-k1bvj
 
Subject: Chemistry
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Working Paper
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Stimulated Raman Scattering (SRS) microscopy enables visualization and quantification of cryoprotective agent (CPA) concentration in Daphnia magna

, Authors: Yuxiao Wei, Purva Joshi, Zachary Chau, Nora Gaby-Biegel, Leonid Peshkin, Mehmet Toner, Rebecca Sandlin, Conor Evans
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-tpq8v
 
Subject: Chemistry
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Working Paper
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Engineered dynamic configuration of nanopores to access enhanced diffusion and selectivity for aliphatic isomers

, Authors: Susmita Kundu, Komal Jindal, Soumya Ghosh, Jagannath Mondal, Ritesh Haldar
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-xn2c4
 
Subject: Chemistry
,
Working Paper
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Benchmarking of Molecular Fingerprints for PFAS molecules

, Authors: Arpan Mukherjee, Krishna Rajan
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-fjsnd
 
Subject: Chemistry
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Working Paper
, Title:

Multiconfigurational electronic structure explains the role of ligands in g-tensor anisotropy for Ru(III) complexes

, Authors: Pavel Pokhilko, Yulia Pushkar
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-jj345
 
Subject: Chemistry
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Working Paper
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RouteWise – An Integration Friendly Platform for Interactive Synthesis Routes

, Authors: Ilia Vorontcov, Nathan Miller, Brandon Walker, Brett Yang, Jeyaraman Soundararajan, Jennifer King, Dhatri V. L. Penna, Sridhar Vuyyuru, Laura Brovold, Ivan Grishagin, Rob Gill, Tim Palmer, Uladzimir Pryshchep, Alexander Litvinov, Oleg Stroganov, Darya Liashchynskaya, Stefaniya Yanovich, Tania Khasanova, William Cole, Samuel G. Michael, Carleen Klumpp-Thomas, Thierry Masquelin, Alexander G. Godfrey, Gergely Zahoránszky-Kőhalmi
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-9n358
 
Subject: Chemistry
,
Working Paper
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Synthesis, Structures, and Properties of Polybenzo[n]spirenes With Carbon-based Polyspiroconjugation

, Authors: Kumpei Hasebe, Kenichiro Itami, Hideto Ito
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-lns30
 
Subject: Chemistry
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Working Paper
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CHEMONTO: A reusable explicit chemical ontology-based method to expedite reaction path searches

, Authors: pinku nath, Yuriko Ono, Yu Harabuchi, Yasunori Yamamoto, Satoshi Maeda, Tetsuya Taketsugu, Masaharu Yoshioka
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-xrx3t
 
Subject: Chemistry
,
Working Paper
, Title:

Transient Formation of Supramolecular Transmembrane Ion Channel via Carbodiimide-Driven Reaction Cycle

, Authors: Kanato Saita, Kohei Sato, Kazuhito Tabata, Hiroyuki Noji, Kazushi Kinbara
Version undefined posted 31 August 2025
Posted
Aug 31, 2025
10.26434/chemrxiv-2025-pcrtr
 
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