Archive | Cambridge Open Engage

Version undefined posted 01 January 2025

Integrating the LC into cortical computation. Current trends, challenges, and future directions.

Dylan Cato

Posted

Jan 01, 2025

10.33774/coe-2024-0t8ph-v3

Version undefined posted 01 January 2025

Partisan Alignments and Climate Policy: Reassessing Ideological Effects on CO₂ Emissions

Muhammad Muinul Islam

Posted

Jan 01, 2025

10.33774/apsa-2025-s27mj

Version undefined posted 01 January 2025

More COPS, Higher Turnout?

Brandon Romero

Posted

Jan 01, 2025

10.33774/apsa-2024-bwwpd-v2

Chiemezie Ilonze, Rachel Day, Ethan Emerson, Aidan Duggan, Ryan Brouwer, Dan Zimmerle

Performance of survey solutions under single-blind controlled testing protocol.

10.26434/chemrxiv-2025-5ff89

Posted

Jan 02, 2025

David Huang, Darrell Deniel, Emanuel Sudiman, Juan Lorell, Arli Aditya Parikesit

Computational Design of a Hepatitis B Virus Vaccine Using Multiple Sequence Alignment and Modeller v10.5 for 3D Protein Structure Prediction

10.26434/chemrxiv-2025-2bln0

Posted

Jan 02, 2025

Kexiong Gao, Xianjin Wang, Tongkun Wang, Silin Song, Chen Zhu

Preparation of Sequence-controlled Aliphatic Polysulfones by Group Transfer Radical Polymerization

10.26434/chemrxiv-2025-552f9

Posted

Jan 02, 2025

Augmented and Programmatically Optimized LLM Prompts Reduce Chemical Hallucinations

Scott Reed

10.26434/chemrxiv-2025-rwgt8

Posted

Jan 02, 2025

Anne M. Fabricant, Román Picazo-Frutos, Florin Teleanu, Gregory J. Rees, Mengjiang Lin, Robert A. House, Peter G. Bruce, John Blanchard, James Eills, Kirill Sheberstov, Dmitry Budker, Danila A. Barskiy, Alexej Jerschow

Enabling nondestructive observation of electrolyte composition in batteries with ultralow-field nuclear magnetic resonance

10.26434/chemrxiv-2024-32xj9-v3

Posted

Jan 02, 2025

Liming Tan, Keyang Wu, Gang Li

Cobaloxime-Based Metalloradical Catalysis: A Versatile Strategy for the Synthesis of Cyclopropenes and Oxazoles

10.26434/chemrxiv-2025-tzpxn

Posted

Jan 02, 2025

Jennifer Murphy, Melissa Morgan, Sachel Christian-Robinson, Megan Fitzgerald, Francesca Kerton

Optimised Process to Produce Calcium Acetate from Waste Blue Mussel Shells and its Use as a De-icer

10.26434/chemrxiv-2025-6mk86

Posted

Jan 02, 2025

Emily C. Hank, Nicholas D'Arcy-Evans, Emma Rose Scaletti, Carlos Benítez-Buelga, Olov Wallner, Florian Ortis, Kaixin Zhou, Liuzhen Meng, Patricia Calvo, Ingrid Almlöf, Elisée Wiita, Sara Kosenina, Andreas Krämer, Maeve Long, Ann-Sofie Jemth, Holly Dawson, Josephine Stewart, Adam Dickey, Mikhael E. Astorga, Marek Varga, Evert J Homan, Martin Scobie, Stefan Knapp, Miguel de Vega, Leandro Sastre, Pål Stenmark, Thomas Helleday, Maurice Michel

Nucleobase catalysts for the enzymatic activation of 8-oxoguanine DNA glycosylase 1

10.26434/chemrxiv-2023-70gws-v4

Posted

Jan 02, 2025

Li Shangyu, Zhang Mingming, Sun Peizhe

Prediction of acute toxicity of organic contaminants to fish: model development and a novel approach to identify reactive substructures

10.26434/chemrxiv-2025-ft75g

Posted

Jan 02, 2025

Yezhi Jin, Yinan Xu, Jireh Garcia Sanchez, Gustavo Perez-Lemus, Pablo Zubieta Rico, Massimiliano Delferro, Juan de Pablo

Free-Energy Landscapes and Surface Dynamics in Methane Activation on Ni(511) via Machine Learning and Enhanced Sampling

10.26434/chemrxiv-2025-6wnm2

Posted

Jan 02, 2025

Hui-Yao Lin, Fei Tong, Chengyuan Yu, Le Li, Ben L. Feringa, Da-Hui Qu

Mechanically Cutting Organic Single-Crystal Films

10.26434/chemrxiv-2024-vn9gf-v2

Posted

Jan 02, 2025

Lisbeth Ravnkilde Kjølbye, Mariana Valério, Markéta Paloncýová, Luis Borges-Araújo, Roberto Pestana-Nobles, Fabian Grünewald, Bart M. H. Bruininks, Rocío Araya-Osorio, Martin Šrejber, Raul Mera-Adasme, Luca Monticelli, Siewert J. Marrink, Michal Otyepka, Sangwook Wu, Paulo C.T. Souza

Martini 3 building blocks for Lipid Nanoparticle design

10.26434/chemrxiv-2024-bf4n8-v2

Posted

Jan 02, 2025

Buddhika Gedara, Peter Rice, Prescott Evans, Daniel Baranowski, Marcus Sharp, Tom Autrey, Bojana Ginovska, Zdenek Dohnálek, Zbynek Novotny

Thermodynamic Stability and Site-Specific Distribution of Graphitic and Pyridinic Nitrogen in Graphene Moiré on Ru(0001)

10.26434/chemrxiv-2025-mfhz0

Posted

Jan 02, 2025

Fundamental acoustic vibrations in nanoscale aluminum coatings.

Aleksandr Avramenko

10.26434/chemrxiv-2025-x6t1z

Posted

Jan 02, 2025

Andrew Northwick, Yinhan Wang, Beza Tuga, Christy Haynes, Rigoberto Hernandez, Erin Carlson

Molecular-Level Characterization of Protein-Nanoparticle Interactions: Orientation, Deformation and Matrix Effects

10.26434/chemrxiv-2025-s3f6v

Posted

Jan 02, 2025

Alice Li, Subhadip Goswami, David Gostzola, Richard Schaller, Joseph Hupp

Upconverting Green Light to Blue via Solid-State Triplet-Triplet Annihilation in Hydrogen-Bonded Organic Frameworks

10.26434/chemrxiv-2025-2bvm7

Posted

Jan 02, 2025

Zhaofei Chai, Qiong Wu, Kai Cheng, Weixuan Wang, Xiaoli Liu, Yujun Xie, Zhen Li, Ling Jiang, Conggang Li

Light-Driven Paramagnetic Tags for Efficient Pseudocontact Shifts Measurments in Protein NMR Spectroscopy

10.26434/chemrxiv-2025-m7hkl

Posted

Jan 02, 2025

The Hubble Sphere Mass-Gap Leads to a Gravitational Acceleration Gap That Could be Linked to Milgrom MOND

Espen Haug

Posted

Jan 02, 2025

10.33774/coe-2025-1j2lr

Liu-Peng Zhao, Ken Lin, Pei-Pei Xie, Huichong Liu, Hengye Xiang, Xin Liu, Yunlong Zhao, Peng Liu, Yang Yang

Cooperative Photometallobiocatalysis Enables Nonheme Fe Enzyme-Catalyzed Enantioconvergent Radical Decarboxyla-tive Azidation, Thiocyanation and Isocyanation of Redox-Active Esters

10.26434/chemrxiv-2025-gp5bn

Posted

Jan 02, 2025

Jie Zhang, Zhilian Dai, Yangyang Deng, PENG GAO

Cost-Efficient Evaluation of Molecular Generative Models' Generalizability in de. novo. Drug Design via a Double-Parameter Mathematical Framework

10.26434/chemrxiv-2025-n0qpb

Posted

Jan 02, 2025

Classification by magnetic susceptibility and petrography of NWA 17204, polymict eucrite.

Jose Garcia, Sonia Pérez

Posted

Jan 02, 2025

10.33774/coe-2025-nvxsq

Edirisuriya Siriwardane, Rongzhi Dong, Jianjun Hu, Deniz Cakir

Exploiting Transformer-Based Networks and Boosting Algorithms for Ultralow Compressible Boride Design

10.26434/chemrxiv-2025-z6zfd

Posted

Jan 02, 2025

Ali Wang, Shunqing Dong, Junjun Tan

Self-assembly versatility of fatty acid-amino acid conjugates

10.26434/chemrxiv-2025-jztr4

Posted

Jan 02, 2025

Psychiatry

To pace or not to pace, that’s (still) the question, from heart to … brain

Frederic GUIHO

Posted

Jan 02, 2025

10.33774/coe-2025-rspgj

Zhilian Dai, Jie Zhang, Songyou Zhong, Jiawei Fu, Yangyang Deng, Dan Zhang, Yichao Liu, Peng Gao

A Zero-Shot Single-point Molecule Optimization Model: Mimicking Medicinal Chemists’ Expertise

10.26434/chemrxiv-2025-m82r5

Posted

Jan 02, 2025

Harness first principles thinking in problem-based learning for chemical education

Junjun Tan, Xinxin Xiao

10.26434/chemrxiv-2025-67s9h

Posted

Jan 02, 2025

Muhammad Irfan, Muhammad Noman Tahir, Muhammad Shahid, Saz Muhammad

Synthesis of Functionalized Biochar Hybrid Particles for Textile Wastewater Treatment

10.26434/chemrxiv-2025-2492b

Posted

Jan 02, 2025

Hang Xiao, Jian Wang, Huan Tan, Yuefang Gan, Wenjing Liu, Yan Zhang, Jun Yang, Zhengfeng Zhang

Robust heteronuclear correlations for proteins in ultrafast magic-angle spinning solid-state NMR

10.26434/chemrxiv-2025-pnhvq

Posted

Jan 02, 2025

Mahmut Okyay, Min Choi, Qiang Xu, Adrian Dieguez, Mauro Del Ben, Khaled Ibrahim, Bryan Wong

Unconventional Nonlinear Hall Effects in Twisted Multilayer 2D Materials

10.26434/chemrxiv-2024-lqvsb-v2

Posted

Jan 02, 2025

Yu-Chieh Huang, Pierre Tremouilhac, Stefan Kuhn, Pei-Chi Huang, Chia-Lin Lin, Nils Schlörer, Oskar Taubert, Markus Götz, Nicole Jung, Stefan Bräse

(Semi-) Automatic Review Process for Common Compound Characterization Data in Organic Synthesis

10.26434/chemrxiv-2024-1r9tb-v2

Posted

Jan 02, 2025

Thomas Reddyhoff, Wren Montgomery, Muhammad Suhaimee, Pushkar Deshpande, Yunhao Xia, Peng Wang, James Ewen

Breaking the trade-off between oil film thickness and viscous friction – n-alcohol-containing lubricants in high-pressure contacts

10.26434/chemrxiv-2024-0k7w3-v2

Posted

Jan 02, 2025

Ragy Haddad, Eleni Litsa, Zhen Liu, Xin Yu, Daniel Burkhardt, Govinda Bhisetti

Targeted Molecular Generation With Latent Reinforcement Learning

10.26434/chemrxiv-2024-8k8gr-v2

Posted

Jan 03, 2025

A Data-Driven Reaction Discovery Strategy Based on Large Language Models

Jingyang Zhang

10.26434/chemrxiv-2025-pnjg7

Posted

Jan 03, 2025

Kazunari Ueki, Risa Nozawa, Takanori Matsumaru, Sho Yamasaki, Yukari Fujimoto

Lipid structure-dependent CD1d functional stabilization and immunomodulation of endogenous glucosylceramides

10.26434/chemrxiv-2025-h5jgp-v2

Posted

Jan 03, 2025

Arpan De, Brandon Lu, Yoel P. Ohayon, Karol Woloszyn, William Livernois, Chu-fan Yang, Lara Perren, Chengde Mao, Antia S. Botana, Joshua Hihath, James W. Canary, Ruojie Sha, M.P. Anantram, Simon Vecchioni

Transmetalation for DNA-based Molecular Electronics

10.26434/chemrxiv-2025-nkbgv

Posted

Jan 03, 2025

Shannon Thoonen, Samuel Walker, Samuel Brandon, Alasdair McKay, Martin Paterson, James Crowley, Kellie Tuck, David Turner

Single-step synthesis of a heterometallic [Cu2PdL4]2+ hybrid metal-organic coordination cage

10.26434/chemrxiv-2024-lfgkf-v2

Posted

Jan 03, 2025

Ashutosh Panigrahi, KIRAN KUMAR PULUKURI

A Four-Step Synthesis of (±)-Nanolobatolide via Site-Specific Olefin Functionalization

10.26434/chemrxiv-2025-k27df

Posted

Jan 03, 2025

Kam-Tung Chan, Margaret Berrens, Zekun Chen, C. William McCurdy, Cort Anastasio, Davide Donadio

Revealing the Photochemical Pathways of Nitrate in Water through First-Principles Simulations

10.26434/chemrxiv-2025-lrx59

Posted

Jan 03, 2025

Lei Xu, Victor M. Freixas, Flavia Aleotti, Donald G. Truhlar, Sergei Tretiak, Marco Garavelli, Shaul Mukamel, Niranjan Govind

Conical Intersections Studied by the Configuration-Interaction-Corrected Tamm-Dancoff Method

10.26434/chemrxiv-2025-sv64m

Posted

Jan 03, 2025

Mikayla Darrows, Dimuthu Kodituwakku, Jinze Xue, Ignacio Pickering, Nicholas Terrel, Adrian Roitberg

LEGOLAS: a Machine Learning method for rapid and accurate predictions of protein NMR chemical shifts.

10.26434/chemrxiv-2025-w2qn8

Posted

Jan 03, 2025

Le Dung Pham, Briana Krupinsky, Jessica Lamb

N-Heterocyclic Carbene-Carbodiimide (NHC-CDI) Adducts: A Systematic Investigation of Electronic Effects on Kinetic and Thermodynamic Properties

10.26434/chemrxiv-2025-dzgq0

Posted

Jan 03, 2025

Muhammad Shahid, Muhammad Irfan, Muhammad Noman Tahir, Saz Muhammad

Synthesis of Iron Oxide Series to Investigate their Thermal and Kinetic Effect on Surface Adsorption

10.26434/chemrxiv-2025-c0lw7

Posted

Jan 03, 2025

Zewen Zhang, Yanbin Li, weijiang zhou, Gongher Wu, Jane Lee, Jiayu Wan, Hao Chen, William Huang, Yusheng Ye, Michael Schmid, Wah Chiu, Yi Cui

Resolving Three-Dimensional Nanoscale Heterogeneities in Lithium Metal Batteries with Cryogenic Electron Tomography

10.26434/chemrxiv-2025-xtxjn

Posted

Jan 03, 2025

Mohammad Masrur Hossain, Tanvir Shahriar, Md. Navid Inan, M. Ahsan Habib, M. Hasanuzzaman, Mohammad Mehran Hossain

Techno-economic Impact of Incineration-Based Waste to Energy Generation Technology in Bangladesh: A Short Review and A Case Study

10.26434/chemrxiv-2025-qhh28-v2

Posted

Jan 03, 2025

Youssif Merhi, Karem Lozano Montero, Peter Johansen, Matti Mäntysalo, SHWETA AGARWALA

Harnessing Piezoelectric poly-L-lactic acid (PLLA) for Enhanced Sensing for Aortic Annuloplasty

10.26434/chemrxiv-2025-zlj11

Posted

Jan 03, 2025

Nikolaus Hondl, Lena Neubauer, Victoria Ramos-Garcia, Julia Kuligowski, Marina Bishara, Eva Sevcsik, Bernhard Lendl, Georg Ramer

Chemical characterization of extracellular vesicles at the sub-vesicle level

10.26434/chemrxiv-2025-4qshd

Posted

Jan 03, 2025

Primadi Subintoro, Korey Carter

Delineating the Effects of Counterions on the Structural and Vibrational Properties of U(IV) Lindqvist Polyoxometalate Complexes

10.26434/chemrxiv-2025-mg1dr

Posted

Jan 03, 2025

Grace Mapstone, Tim M. Kamsma, Zhen Xu, Penelope K. Jones, Alpha A. Lee, Israel Temprano, James Lee, Michael F. L. De Volder, Alexander C. Forse

Understanding the Mechanism of Electrochemical CO2 Capture by Supercapacitive Swing Adsorption

10.26434/chemrxiv-2024-p0wr3-v2

Posted

Jan 03, 2025

Robert Heyer, Maximilian Wolf, Dirk Benndorf, Sergio Uzzau, Jana Seifert, Lucia Grenga, Martin Pabst, Heike Schmitt, Bart Mesuere, Tim Van Den Bossche, Sven-Bastiaan Haange, Nico Jehmlich, Mariagrazia Di Luca, Manuel Ferrer, Sergio Serrano-Villar, Jean Armengaud, Helge Bode, Patrick Hellwig, Catherine Robbe Masselot, Renaud Léonard, Paul Wilmes

Metaproteomics in the One Health Framework for Unraveling Microbial Effectors in Microbiomes

10.26434/chemrxiv-2024-jg1mq-v2

Posted

Jan 03, 2025

Transition Metal Schiff Base Complexes as Potential Non-Platinum Catalysts for Hydrogen Evolution Reaction: A Comparative Study of Co (II) and Ni (II)

10.26434/chemrxiv-2025-v53df

Posted

Jan 03, 2025

Psychiatry

Abstract

Insulin Resistance and Treatment Nonresponse in Bipolar Depression

Jessica M. Gannon, K.N. Roy Chengappa, Cynthia V. Calkin

Posted

Jan 03, 2025

10.33774/coe-2025-j17gx

Design and First-Principles Calculation of Pt-Doped Phenalene Basket for Enhanced Photocatalytic Hydrogen Evolution: Structural, Optical, and Electronic Insights

10.26434/chemrxiv-2025-j2n26

Posted

Jan 06, 2025

Abdalla Alghfeli, Hengrui Xu, Benjamin Heronimus, Barathan Jeevaretanam, R. Mitchell Spearrin, Timothy Fisher

Methane Pyrolysis by Joule Heating for Graphitic Carbon and Hydrogen Production

10.26434/chemrxiv-2025-k8x95

Posted

Jan 06, 2025

Ke Ye, Yulan Han, Min Hu, P Hu, Mårten Ahlquist, Guozhen Zhang

Secondary Coordination Effects of Adjacent Metal Center in Metal-Nitrogen-Carbon Improve Scaling Relation of Oxygen Electrocatalysis

10.26434/chemrxiv-2024-3mjc9-v2

Posted

Jan 06, 2025

Marcus Wohlgemuth, Kapil Nayak, Anton Kaus, Lisa Heymann, Lee-Kang Huang, Alexandros Sarantopoulos, Joachim Thomsen, Rafal Dunin-Borkowski, Victor Rouco, Jacobo Santamaria, Regina Dittmann, Felix Gunkel

Chemical Termination and Interfacial Redox Behavior of Freestanding SrTiO3

10.26434/chemrxiv-2025-rcrq6

Posted

Jan 06, 2025

Taejung Lim, Hideshi Ooka, Ryuhei Nakamura

Cation-controlled diffusion of chloride ions during electrochemical chlorine evolution in acidic media

10.26434/chemrxiv-2024-rr0c3-v2

Posted

Jan 06, 2025

Jenna Trost, Jennifer Dunn

Projecting the environmental effects of expanded copper-nickel mining in the United States for the energy transition: The role of prospective, holistic life cycle analysis demonstrated with a Minnesota case study

10.26434/chemrxiv-2024-n5czd-v2

Posted

Jan 06, 2025

Is BigSMILES the Friend of Polymer Machine Learning?

Haoke Qiu, Zhao-Yan Sun

10.26434/chemrxiv-2024-bxxhh-v5

Posted

Jan 06, 2025

Chia-Hsun Yeh, Wen-Yu Cheng, Tai-Che Chou, Yi-Chun Liu, Chia-Wei Chang, Yu-Sheng Chen, Chih-Hsing Wang, Shih-Chang Weng, Ian Sharp, Pi-Tai Chou, Chang-Ming Jiang

Collective Motion of Methylammonium Cations Affects Phase Transitions and Self-Trapped Exciton Emission in A-Site Engineered MAPbI3 Films

10.26434/chemrxiv-2024-j7bb2-v3

Posted

Jan 06, 2025

Jordan Smith, Nicholas White

Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self–association

10.26434/chemrxiv-2024-nvmzm-v2

Posted

Jan 06, 2025

Álvaro Serrano-Morrás, Andrea Bertran-Mostazo, Marina Miñarro-Lleonar, Arnau Comajuncosa-Creus, Adrià Cabello, Carme Labranya, Carmen Escudero, Tian Tian, Inna Khutorianska, Dmytro S. Radchenko, Yurii S. Moroz, Lucas Defelipe, David Ruiz-Carrillo, Maria Garcia-Alai, Robert Schmidt, Matthias Rarey, Patrick Aloy, Carles Galdeano, Jordi Juárez-Jiménez, Xavier Barril

A novel bottom-up approach to find lead-compounds in billion-sized libraries

10.26434/chemrxiv-2025-lph6p

Posted

Jan 06, 2025

Kai Konowski, Volodymyr Bon, Martin A. Karlsen, Martin Etter, Nadine Bönisch, Ankita De, Stefan Kaskel

Probing the limits of mechanical stability of the mesoporous Metal-Organic Framework DUT-76(Cu) by hydrocarbons physisorption

10.26434/chemrxiv-2025-s2qt4

Posted

Jan 06, 2025

Yuhui Wu, Cong Wang, Xintian Shen, Tianyi Zhang, Peng Zhang, Jian Ji

Periodicity-aware deep learning for polymers

10.26434/chemrxiv-2025-g2mbp

Posted

Jan 06, 2025

George Neuhaus, Xinhui Yu, Wakana Osaka, Rikito Suzuki, Daphne Mattos, Julius Habiyaremye, Sophia Bonar, Alexandros Polyzois, Rosemary Dorrington, Jane Ishmael, Shinya Oishi, Kerry McPhail

Structure and synthesis of amatyemides A and B, cyclic octadepsipeptides from South African stromatolites

10.26434/chemrxiv-2025-87m4s

Posted

Jan 06, 2025

Danny Nguyen, Jesus Valdiviezo

Designing A Bioinspired Degradation System for Forever Chemicals in Water Using Molecular Simulations

10.26434/chemrxiv-2025-tm6js

Posted

Jan 06, 2025

Josef Kehrein, Robert Luxenhofer, Alex Bunker

Moving Beyond PEG: Poly(2-oxazolines) and Poly(2-oxazines) Alter the Surface Properties of Lipid Nanoparticles

10.26434/chemrxiv-2025-v4cjh

Posted

Jan 06, 2025

William Stoll, Peter Banks, Steven Dannenberg, Rory Waterman, Luca Catalano, Michael Ruggiero

Interrogation of the Intermolecular Forces that Drive Bulk Properties of Molecular Crystals with Terahertz Spectroscopy and Density Functional Theory

10.26434/chemrxiv-2025-5w2fc

Posted

Jan 06, 2025

Natanel Jarach, Michal Cohen, Rivka Gitt, Hanna Dodiuk, Samuel Kenig, Shlomo Magdassi

Untying the knot: A Fully Recyclable, Solvent-Free, Wide-Spectral Photocurable Thermoset Adhesive

10.26434/chemrxiv-2025-dzlz3

Posted

Jan 06, 2025

Daniel Erlanson, Stephen Burley, James Fraser, Daren Fearon, Dale Kreitler, Maria Cristina Nonato, Naoki Sakai, Jan Wollenhaupt, Manfred S Weiss

Where to House Big Data on Small Fragments?

10.26434/chemrxiv-2025-hjjnj

Posted

Jan 06, 2025

Who Are Our Legislators? A Simulation about National Legislative Party Politics

Michael Sacco

Posted

Jan 06, 2025

10.33774/apsa-2025-6bbfh

Negotiating the Problems of Diversity: A Post-Civil War Legislative Simulation

Mark Jendrysik

Posted

Jan 06, 2025

10.33774/apsa-2025-10tk9

Nick Kapoor, Christopher Staecker

Ahead of the Count: An Algorithm for Probabilistic Prediction of Instant Runoff (IRV) Elections

10.33774/apsa-2024-cxw4q-v3

Posted

Jan 06, 2025

Students Self-Assessing Their Class Notes Builds Critical Thinking Skills

William O'Brochta

Posted

Jan 06, 2025

10.33774/apsa-2025-r7kh2

Dong Zhou, Imanuel Bier, Biswajit Santra, Leif Jacobson, Chuanjie Wu, Adiran Suarez, Barbara Almaguer, Haoyu Yu, Robert Abel, Richard Friesner, Lingle Wang

A Robust Crystal Structure Prediction Method to Support Small Molecule Drug Development with Large Scale Validation and Prospective Studies

10.26434/chemrxiv-2024-f17zp-v3

Posted

Jan 06, 2025

Changqing Sun, Chunyang Nie, Yongli Huang, Yong Zhou, Lei Zhang, Biao Wang

Atomistic Dipolar Catalysis: Rules for Catalyst Polarization, Reactant Activation and Conversion

10.26434/chemrxiv-2025-hc3vc

Posted

Jan 07, 2025

Changqing Sun, Sanmei Wang, Jushan Wang, yong Zhou, Chunyang Nie, Hengxin Fang, Lei Zhang, Biao Wang

The Amplified Hydrogen Bond: A Coupling Pair of Asymmetrical, Flexible, and Polarizable Dipoles

10.26434/chemrxiv-2025-cdp7k

Posted

Jan 07, 2025

Margaret O'Connell, Kathleen Smith, Mike Wiggins Jr., Marvin DeFoe Shingwe Bines, Neme Clan, James Rasmussen, Esteban Chiriboga, Michael Waasegiizhig Price, Kimberly R. Marion Suiseeya, Jennifer Dunn

Asemaa, Ma’iingan, and the Seventh Fire’s instructions for assessing sustainability

10.26434/chemrxiv-2025-rbqj6

Posted

Jan 07, 2025

Aleksander Senderowski, Ana Andrea Méndez-Medrano, Isabelle Lampre, Hynd Remita, Dorota Rutkowska-Zbik

Platinum carbonyl Chini clusters as catalysts for photocatalytic H2 generation

10.26434/chemrxiv-2025-17d1m

Posted

Jan 07, 2025

Fighting Cancer and Alzheimer’s Disease: QuantumFuture’s Docking (QFD) Identifies Dozens of Potent, Safe IDO1 Inhibitors from Natural Products

Laszlo Fusti-Molnar

10.26434/chemrxiv-2025-0l0b0

Posted

Jan 07, 2025

Dat T. Nguyen, Rahul Mondal, Matthew J. Evans, Joseph M. Parr, Cameron Jones

Assembly of Functionalized Organic Fragments via Reductive Activation and (Cross)-Coupling of C2H4, CO, CO2 and/or H2 using a Magnesium-Dinitrogen Complex

10.26434/chemrxiv-2025-kh927

Posted

Jan 07, 2025

Sachin M. Thorat, Anindita Bhowmick, Sunderraman Sambasivan, Dr. Ramakrishna G. Bhat

Visible-Light Photoredox Catalyzed, Facile Synthesis of 2-Amino-1,3,4-Thiadiazoles from Aldehydes and Thiosemicarbazides

10.26434/chemrxiv-2025-rzl3r

Posted

Jan 07, 2025

Daniel Oppong, Rayavarapu Padmavathi, Dhanushika S. K. Kukulage, Madhu C. Shivamadhu, Elizabeth A. Newberry, Anneliese M. Faustino, Hsin-Yao Tang, Young-Hoon Ahn

Dehydroglutathione to induce non-reducible glutathionylation for functional analysis

10.26434/chemrxiv-2025-h5t0g

Posted

Jan 07, 2025

Elisabeth Rothweiler, Ani Michaud, Jakub Stefaniak, Usha Singh, James Vasta, Michael Beck, Jennifer Ward, Catherine Rogers, Esra Balıkçı, Jeppe Tranberg-Jensen, Jesper Hansen, Peter Loppnau, Paul Brennan, Peter Tonge, Matthew Robers, Kilian Huber

A Live Cell BRET Probe to Quantify PRMT5-MTA Uncompetitive Target Engagement

10.26434/chemrxiv-2025-318k4

Posted

Jan 07, 2025

Bin Yang, Jianyu Ren, Chun-Chieh Yu, Zixuan Wang, Minghui Cao, Shizhen Emily Wang, Wei Xiong

Label-Free Identification of Tumor Tissues by Coherent Nonlinear Vibrational Mode Imaging

10.26434/chemrxiv-2025-wbt2v

Posted

Jan 07, 2025

Stephanie Sandoval, Douglas Nelson, Hari Sridhara, Talia Thomas, John Lewis, Kelsey Cavallaro, Pavel Shevchenko, Neil Dasgupta, Francois Usseglio-Viretta, Donal Finegan, Matthew McDowell

Visualizing Diverse Lithium Growth and Stripping Behaviors in Anode-Free Solid-State Batteries with Operando X-ray Tomography

10.26434/chemrxiv-2025-1hflr

Posted

Jan 07, 2025

Luis L. Jessen, Kameron Hansen, George B. Crull, Tanner L. Grover, C. Allan Guymon

In situ NMR to monitor bulk photopolymerization kinetics

10.26434/chemrxiv-2025-78s3j

Posted

Jan 07, 2025

Jacob Williams, Piotr Marszalek, Weitao Yang

Computed isotope shifts of high-frequency vibrational modes exceed thermal noise in propionate bound to a human olfactory receptor

10.26434/chemrxiv-2024-242tq-v2

Posted

Jan 07, 2025

Keito Sano, Daniel Packwood, Masanori Sakamoto

Localized Surface Plasmon Resonance in CuGaS2 Nanoparticles Dictated by Crystal Phase

10.26434/chemrxiv-2024-xpv5b-v2

Posted

Jan 07, 2025

Jingyu Kang, Donghee Kim, Sanggeun Song, Jonghwa Han, Yongwon Jung, Sangwoon Yoon, Youngjae Ryu, Sungjee Kim, Byung Hyo Kim, Jeong-Mo Choi, Mino Yang, Joonkyung Jang, Taeghwan Hyeon, Jungwon Park, Ji-Hyun Kim, Jaeyoung Sung

Supersaturation, Nucleation, and Phase Separation of Mesoscopic Materials

10.26434/chemrxiv-2024-62546-v3

Posted

Jan 07, 2025

Benjamin Chng, Elious Mondal, Wenxiang Ying, Pengfei Huo

Quantum Dynamics Simulations of the Polariton Transport

10.26434/chemrxiv-2024-mjd75-v2

Posted

Jan 08, 2025

Alex K. Chew, Mohammad Atif Faiz Afzal, Zach Kaplan, Eric M. Collins, Suraj Gattani, Mayank Misra, Anand Chandrasekaran, Karl Leswing, Mathew D. Halls

Leveraging High-throughput Molecular Simulations and Machine Learning for the Design of Chemical Mixtures

10.26434/chemrxiv-2024-4lff6-v4

Posted

Jan 08, 2025

Karolína Křížová, Rimeh Ismail, Tung Anh Nguyen, Marek Bříza, Anna Geleverya, Valentino Guerra, Petr Kovaricek

Photosulfoxidation catalysis as the driving principle for the deazaoxaflavin photoredox catalyst formation

10.26434/chemrxiv-2024-0h9t2-v3

Posted

Jan 08, 2025

Tobias N. Hansen, Marcos San Segundo, Annika M. Mergel, Christian Adam Olsen

Advances in sulfur fluoride exchange for chemical biology

10.26434/chemrxiv-2024-bncb0-v2

Posted

Jan 08, 2025

Jonas Koppe, Alexander V. Yakimov, Domenico Gioffrè, Marc-Eduard Usteri, Thomas Vosegaard, Guido Pintacuda, Anne Lesage, Andrew J. Pell, Sharon Mitchell, Javier Pérez-Ramírez, Christophe Copéret

Coordination environments of platinum single atom catalysts from NMR fingerprints

10.26434/chemrxiv-2024-gf7qp-v2

Posted

Jan 08, 2025

Optimizing Solid-Phase Protein Synthesis: A Systematic Study of Solid Supports and Mild Cleavage Techniques

Jianyi Han, Bobo Dang

10.26434/chemrxiv-2025-jlc89

Posted

Jan 08, 2025

Hiroaki Shiokawa, Shoichi Ishida, Kei Terayama

GESim: Ultrafast Graph-Based Molecular Similarity Calculation via von Neumann Graph Entropy

10.26434/chemrxiv-2025-gm6vk

Posted

Jan 08, 2025

Clément LINGER, Frédéric Gobeaux, Mathieu Lordez, Justine Coïs, Rachel Méallet, Gilles Clavier, Nicolas Tsapis, Jérome Gateau

Modulation of photoacoustic NIR BODIPY self-assembly in theranostic solid lipid nanoparticles via alpha-group variation: influence on spectral and nanostructural properties

10.26434/chemrxiv-2025-b8qcm

Posted

Jan 08, 2025

Yongzhen Jin, Changming Ke, Yang Liu, Jianhui Wang

Enhancing Electrocatalytic Ammonia Oxidation Using Super-Concentrated Electrolytes

10.26434/chemrxiv-2025-2b7s6

Posted

Jan 08, 2025

Fionn Carman, Fernando Bresme, Billy Wu, Daniele Dini, James P. Ewen

Water Nanofilms Mediate Adhesion and Heat Transfer at Hematite-Hydrocarbon Interfaces

10.26434/chemrxiv-2025-fm4nl

Posted

Jan 08, 2025

Bram T. Kappé, Robin Vogel, Jaap N. Louwen, Bettina Baumgartner, Bert M. Weckhuysen, Matteo Monai

Formation and Reactivity of Silicon Oxyhydrides in Nickel Hydrogenation Catalysts Supported on Silica

10.26434/chemrxiv-2025-bd0d8

Posted

Jan 08, 2025

Tongtong Dang, Yixin He, Xuanchi Yu, Zhao-Yang Zhang, Lingling Li, Tao Li

Direct observation of reversible single-crystal-to-single-crystal E⇄Z photoisomerization of an azo molecule

10.26434/chemrxiv-2025-zjpgl

Posted

Jan 08, 2025

Kavita A Iyer, Rumiana Tenchov, Julian M Ivanov, Qiongqiong Angela Zhou

Emerging concepts in immuno-oncology: Insights from natural language processing (NLP)-driven co-occurrence analysis

10.26434/chemrxiv-2025-b3941

Posted

Jan 08, 2025

Nils Gönnheimer, Karsten Reuter, Johannes T. Margraf

Beyond Numerical Hessians: Higher-Order Derivatives for Machine Learning Interatomic Potentials via Automatic Differentiation

10.26434/chemrxiv-2025-p97c2

Posted

Jan 08, 2025

Astrid F. Brandner, Iain P. S. Smith, Siewert J. Marrink, Paulo C. T. Souza, Syma Khalid

A systematic approach to parameterization of disaccharides for the Martini 3 coarse-grained force-field

10.26434/chemrxiv-2025-68mnk

Posted

Jan 08, 2025

Jianli Cheng, James Stevenson, Garvit Agarwal, John Weber, Leif Jacobson, Karl Leswing

Large-scale Atomistic Simulations of Lithium Diffusion in a Graphite Anode with a Machine Learning Force Field

10.26434/chemrxiv-2025-m2g7s

Posted

Jan 08, 2025

Zhitong Jiang, Zachariah Vicars, Suruchi Fialoke, Sumanth N. Jamadagni, Peter H. Koenig, Amish J. Patel

Thermodynamics of Self Assembly and Supramolecular Transitions using Enhanced Sampling

10.26434/chemrxiv-2025-k6kt5

Posted

Jan 08, 2025

RDRP of β-alanine for DOX-release as a Proof-of-Concept dye Encapsulation for Nanoparticle Synthesis.

Subrata Dolui

10.26434/chemrxiv-2025-3rdw8

Posted

Jan 08, 2025

Fabio Colasuonno, Sohaib Umer, Martina Lessio

Computational Insights into Hydrogen Interaction with the Ru (101 ̅1) and Ru (101 ̅0) Surfaces: Implications for Alkane and Polyolefin Hydrogenolysis

10.26434/chemrxiv-2025-x59s5

Posted

Jan 08, 2025

Ahmed G. Attallah, Volodymyr Bon, Eric Hirschmann, Maik Butterling, Andreas Wagner, Radosław Zaleski, Stefan Kaskel

Uncovering the dynamic CO2 gas uptake behaviour of CALF-20 (Zn) under varying conditions via positronium lifetime analysis

10.26434/chemrxiv-2025-1xc9h

Posted

Jan 08, 2025

Clark Otey, Mukund Sharma, Jazmine Prana, Thomas Czyszczon-Burton, Alejandro Hernandez, Michael Inkpen

Conductance measurements of polar molecules in a non-conducting solvent

10.26434/chemrxiv-2025-z7w2k

Posted

Jan 08, 2025

Joseph Gair, Mayuko Isomura, Corin Wagen, Daniel Strassfeld, Eric Jacobsen

Enantioselective Ring Opening of Azetidines via Charge Recognition in Hydrogen-Bond-Donor Catalysis

10.26434/chemrxiv-2025-3cvgr

Posted

Jan 08, 2025

Muzammil Kuddushi, Aishwarya Pawar, Mehdi Ghaffari Sharaf, Larry Unsworth, Xuehua Zhang

Evaluating electrospun polycaprolactone fibers for blood-contacting applications

10.26434/chemrxiv-2025-qvt7v

Posted

Jan 08, 2025

Lucas Kuhrts, Hadar Shaked, Johanna Sklar, Elena Prudnikov, Sylvain Prevost, Gouranga Manna, Michael Sztucki, Alexander Katsman, Boaz Pokroy

Impact of Mg2+ and pH on Amorphous Calcium Carbonate Nanoparticle Formation: Implications for Biomineralization and Ocean Acidification

10.26434/chemrxiv-2025-zrkfn

Posted

Jan 08, 2025

Wen Xing, Yngve Larring, Kai Bao

Oxide’s Acidity Prediction in Smith Scale Using a Simple Linear Model

10.26434/chemrxiv-2024-kq9wl-v3

Posted

Jan 08, 2025

Akito I Sema, Sanjay Chaudhuri, Diwakar Tiwari, Jhimli Bhattacharyya

A pilot study on the spatial distribution of iron concentration in the groundwater of Dimapur district, Nagaland, India

10.26434/chemrxiv-2025-bsqdv

Posted

Jan 09, 2025

Keita Sakamoto, Katsuki Miyokawa, Tomoyuki Hamachi, Haoxuan Zhang, Jiarui Song, Kenichiro Tateishi, Tomohiro Uesaka, Hiroshi Imahori, Yuki Kurashige, Nobuhiro Yanai

Substituted Fullerenes for Enhanced Optical Nuclear Hyperpolarization in Random Orientations

10.26434/chemrxiv-2025-lkgpg

Posted

Jan 09, 2025

Léa Guerassimoff, Jingming Cao, Michaelle Auguste, Amaury Bossion, Chen Zhu, Dao Le, Catherine Cailleau, Safa Mohamed Ismail, Françoise Mercer-Nomé, Julien Nicolas

Degradable Water-Soluble Polymer Prodrugs for Subcutaneous Delivery of Irritant Anticancer Drugs

10.26434/chemrxiv-2025-0txsj

Posted

Jan 09, 2025

Sylwia Czach, Katarzyna Walczewska-Szewc

Investigating substrate binding mechanism in prolyl oligopeptidase through molecular dynamics

10.26434/chemrxiv-2025-pf0tn

Posted

Jan 09, 2025

Mohamad Khoshkalam, Fardin Ghaffari-Tabrizi, Dennis Christensen

A Nanoscale view of Solid-State Batteries

10.26434/chemrxiv-2025-s87p9

Posted

Jan 09, 2025

Rıza Özçelik, Laura van Weesep, Sarah de Ruiter, Francesca Grisoni

peptidy: A light-weight Python library for peptide representation in machine learning

10.26434/chemrxiv-2024-bm3lv-v2

Posted

Jan 09, 2025

Carter J. Wilson, Vytautas Gapsys, Bert L. de Groot

Improving pKa prediction accuracy with reparametrized force fields and free energy calculations

10.26434/chemrxiv-2024-btnq5-v2

Posted

Jan 09, 2025

Alison Arissa, Thomas Rose, Noemi Leick, Stefan Grimme, Justin Johnson, Jenny Lockard

Charge Transfer and Recombination Pathways through Fullerene Guests in Porphyrin-based MOFs

10.26434/chemrxiv-2024-nkf2f-v2

Posted

Jan 09, 2025

Akito I Sema, Sanjay Chaudhuri, T. Tiakaba Jamir, Jhimli Bhattacharyya

On Water Quality of Nagaland, North-eastern India: A Short Review and Statistical Analyses

10.26434/chemrxiv-2025-5dqdt

Posted

Jan 09, 2025

Rodrigo Contreras, Antonia Mayne-Nicholls, Geronimo Lauzan, Marisol Pizarro

Synergistic Stabilization of Pea Protein Isolate Solutions with Xanthan and Low Acyl Gellan Gums

10.26434/chemrxiv-2025-qrg4q

Posted

Jan 09, 2025

Goran Giudetti, Moon Jung Kim, Yida Li, Chao Zhang, Anna I. Krylov

Optical Properties of New Donor–Acceptor Dyes for RNA Imaging: Insights from Ab Initio and H¨uckel’s Model Calculations

10.26434/chemrxiv-2025-93w58

Posted

Jan 09, 2025

Quentin Stern, Jinlei Cui, Raj Chaklashiya, Celeste Tobar, Martyna Judd, Orit Nir-Arad, Daphna Shimon, Ilia Kaminker, Hiroki Takahashi, Jagadishwar R. Sirigiri, Songi Han

P1 center network in high-pressure high-temperature diamonds is a readily accessible source of nuclear hyperpolarization at 14 T

10.26434/chemrxiv-2025-3r9qt

Posted

Jan 09, 2025

Mckayla Stevens, Emma Doud, Javiera Norambuena, Katelyn Tepper, Haddie DeHart, Carlee A. Trindl, Richard Carpenter, Eli Chapman, Jeffrey M. Boyd, Clark Wells, Qiuyan Chen, Steven M. Johnson

Deciphering the unique mechanism whereby bis-sulfonamido-2-phenylbenzoxazole (PBZ) GroEL/ES inhibitors modulate chaperonin ATPase and client protein folding functions.

10.26434/chemrxiv-2025-qs33s

Posted

Jan 09, 2025

Priyanka Agarwal, Shubham Agrawal, Bhushan Toley

Hot-Nucleic Acid Lateral Flow Assay (Hot-NALFA): A Novel Method for Point Mutation Detection

10.26434/chemrxiv-2025-1c3w4

Posted

Jan 09, 2025

Tapas Adak, Travis Menard, Matthew Albritton, Federico Florit, Martin Burke, Klavs Jensen, Scott Denmark

Catalytic allylation of native hexoses and pentoses in water with indium

10.26434/chemrxiv-2025-htb6x

Posted

Jan 09, 2025

Clara Tamura, Heather Job, Henry Chang, Wei Wang, Yangang Liang, Shijing Sun

Autonomous Organic Synthesis for Redox Flow Batteries via Flexible Batch Bayesian Optimization

10.26434/chemrxiv-2025-l1bzs

Posted

Jan 09, 2025

Christopher Dieni, Brett Spiess

Catechol chemistry unleashed: Spontaneous reactions in physiologically-relevant media

10.26434/chemrxiv-2025-5zs9m

Posted

Jan 09, 2025

"Advanced Computational Insights into Ni(II) Schiff Base Complexes: Addressing Sluggish Kinetics and Stability Challenges in Oxygen Reduction Reaction Catalysis"

10.26434/chemrxiv-2025-sbm6r

Posted

Jan 09, 2025

Shingo Harada, Rachel Cantrell, Tatianna Tyler, Jacob Newman, Isaiah Aguilar, Minghao Wang, Daria Kim, Yingchuan Zhu, Timothy Newhouse

Ozone-Free Protocol for Hydrodealkenylation via Peroxide Formation and Fragmentation

10.26434/chemrxiv-2025-xwbdj

Posted

Jan 09, 2025

Fumika Karaki, Kyoko Hidaka, Yuko Nishiyama, Ami Taniguchi, Yuichi Hashimoto, Kenji Ohgane, Hideaki Fujii

Phenylboronic acids as pH-selective ligands for arylsulfatase B: a lead for pharmacological chaperones against Maroteaux–Lamy syndrome

10.26434/chemrxiv-2025-xjj46

Posted

Jan 09, 2025

Hinako Kato, Yoji Horii, Chiharu Watanabe, Toshiyuki Sasaki, Kouhei Ichiyanagi, Mariko Noguchi, Hiroki Fujimori, Taro Yamamoto, Hal Suzuki, Yuichi Hirai, Takahito Ohmura, Keigo Yano, Shotaro Hayashi, Takashi Kajiwara

Molecular thermal engine based on a highly flexible elastic crystal

10.26434/chemrxiv-2025-tpnjj

Posted

Jan 09, 2025

Domenico Grammatico, Janine Lichtenberger, Christian M. Pichler, Matthias Kogler, Theodoros Dimopoulos, Helena Kern

Surface modification of sputtered, thin film silver electrodes for sustainable and highly efficient electroreduction of CO2 to CO

10.26434/chemrxiv-2024-q7lwd-v4

Posted

Jan 09, 2025

Jaume Béjar-Grimalt, David Pérez-Guaita, Ángel Sánchez-Illana, Rodolfo García Contreras, Rashmi Kataria, Sylvie Bureau, Miguel de la Guardia, Frédéric Cadet

Classification of apricot varieties by infrared spectroscopy and machine learning

10.26434/chemrxiv-2025-f76xt

Posted

Jan 09, 2025

The Global Shift from Promising Pluralism to an Exclusionary Nationalism: Ideas, Policies and Power Relations at the Global Level

Sagheer Ahmad Khan

Posted

Jan 09, 2025

10.33774/apsa-2025-gg980

Arsène Chemin, Louis Godeffroy, Marin Rusu, Michael Drisch, Maik Finze, Peter Knittel, Anke Krueger, Tristan Petit

Modulating Surface Redox Reactions and Solvated Electron Emission on Boron-Doped Diamond by (Photo)Electrochemistry

10.26434/chemrxiv-2025-47rf0

Posted

Jan 09, 2025

Yangfan Lin, Jiahao Chen, Yuqi Liu, Lei Liu, Han Zhang, Li Wang, Xiangming He, Jianhui Wang

Unveiling a Critical Exothermic Reaction in the Thermal Runaway of Lithium-Ion Batteries

10.26434/chemrxiv-2025-707xr

Posted

Jan 10, 2025

Sun Geun Yoon, Bairav Vishnugopi, Douglas Nelson, Adrian Xiao Bin Yong, Yingjin Wang, Stephanie Sandoval, Talia Thomas, Kelsey Cavallaro, Pavel Shevchenko, Elif Pınar Alsaç, Congcheng Wang, Aditya Singla, Julia Greer, Elif Ertekin, Partha Mukherjee, Matthew McDowell

Interface Morphogenesis with a Deformable Secondary Phase in Solid-State Lithium Batteries

10.26434/chemrxiv-2025-xdzgq

Posted

Jan 10, 2025

Haoyu Chen, Pavel Kielkowski

Self-Assembled PROTACs Enable Glycoproteins Degradation in the Living Cells.

10.26434/chemrxiv-2025-gpmkf

Posted

Jan 10, 2025

Malavika Manju Sudheer, Arezou Fazli, Stefania Sganga, Nicolla Tirelli, Riccardo Carzino, Marina Veronesi, Kirill Khabarov, Athanassia Athanassiou, Despina Fragouli

Poly(lactic acid) nanoplastics through laser ablation: Establishing a reference model for mimicking biobased nanoplastics in aquatic environments

10.26434/chemrxiv-2025-7glks

Posted

Jan 10, 2025

Christopher Hastings, William Brennessel, Brandon Barnett

Generation and Reactivity of a High-Spin Iron(IV)-Oxo Complex that is Stable at Ambient Temperatures

10.26434/chemrxiv-2025-4d00t

Posted

Jan 10, 2025

Samuele Giannini, Pablo M. Martinez, Abderrahmane Semmeq, J. Pablo Galvez, Anna Piras, Alessandro Landi, Daniele Padula, J.G. Vilhena, Javier Cerezo, Giacomo Prampolini

JOYCE3.0: A General Protocol for the Specific Parameterization of Accurate Intramolecular Quantum Mechanically Derived Force-Fields

10.26434/chemrxiv-2025-2f149

Posted

Jan 10, 2025

Subhasish Pradhan, Rajesh Viswanathan

Enantioselective Total Synthesis of Griseocazine D2 & D3

10.26434/chemrxiv-2025-v596v

Posted

Jan 10, 2025

Alexandra Platt, Heidi Klem, Sam Mallinson, Yannick Bomble, Robert Paton

Computer-Aided Design of Stability Enhanced Nicotinamide Cofactor Biomimetics

10.26434/chemrxiv-2025-kjf9p

Posted

Jan 10, 2025

Sheng-Yu Wang, Jun-Rong Zhang, Guoyan Ge, Weijie Hua

Deciphering the Cu(I):O2 to Cu(II):O2- Transition along the Binding Pathway through Computational Transient X-ray Absorption Spectra

10.26434/chemrxiv-2025-8v846

Posted

Jan 10, 2025

Ellen Liggett, Keith Richardson, David Langridge, Kevin Giles, Ian Anderson, Kamila Pacholarz, Paul Getty, Michael Walker, Jakub Ujma, Perdita Barran

Measuring Size and Shape Heterogeneity in AAVs with Ion Mobility Mass Spectrometry

10.26434/chemrxiv-2025-k3g05

Posted

Jan 10, 2025

Bhismalochan Ghorai, Buddhadeb Sahana, Durga Prasad Hari

Strain-Enabled Radical-Polar Crossover Annulation: A Unified Strategy to Access Spiro-, Fused-, and Enantioenriched-Aza/Oxa-Bicyclo[3.1.1]hepatanes

10.26434/chemrxiv-2024-px1f3-v2

Posted

Jan 10, 2025

Ruiyu Wang, Richard C. Remsing, Michael L. Klein, Eric Borguet, Vincenzo Carnevale

On the Role of α-Alumina in the Origin of Life: Surface Driven Assembly of Amino Acids

10.26434/chemrxiv-2024-qjq83-v3

Posted

Jan 10, 2025

Sherif Abdulkader Tawfik, Linh La, Tri Nguyen, Truyen Tran, Sunil Gupta, Svetha Venkatesh

Scale matters: simulation of nanoscopic dendrite initiation in the lithium solid electrolyte interphase using a machine learning potential

10.26434/chemrxiv-2024-86s6m-v2

Posted

Jan 10, 2025

Tim Van Den Bossche, Denis Beslic, Sam van Puyenbroeck, Tomi Suomi, Tanja Holstein, Lennart Martens, Laura L. Elo, Thilo Muth

Metaproteomics beyond databases: addressing the challenges and potentials of de novo sequencing

10.26434/chemrxiv-2024-4v6q0-v2

Posted

Jan 10, 2025

Akashnathan Aranganathan, Xinyu Gu, Dedi Wang, Bodhi Vani, Pratyush Tiwary

Modeling Boltzmann weighted structural ensembles of proteins using AI based methods

10.26434/chemrxiv-2024-6f9h6-v3

Posted

Jan 10, 2025

Engineering

Eldy Lazaro Vasquez, Mirela Alistar, Laura Devendorf

Temporalities of Biodesigned Artifacts

Posted

Jan 10, 2025

10.33774/coe-2025-bsxss

Eloïse Marie Samantha Parlier, Kinann Al Amir, Thomas-Xavier Métro, Pierre Granjon, Danielle Laurencin, César Leroy

Listening to the formation of polymorphs in a ball-mill

10.26434/chemrxiv-2024-4w0kc-v2

Posted

Jan 10, 2025

Hidenori Ochiai, Taiki Mihara, Miwa Sasagawa, Akira Nishiyama

Stereoselective Synthesis of Mirogabalin via 1,4-Selective Addition of Lithioacetonitrile to Alkylidene Malonate

10.26434/chemrxiv-2024-vnwg3-v2

Posted

Jan 10, 2025

Fabian Dankert, Simon P. Muhm, Chandan Nandi, Sergi Danés, Sneha Mullassery, Petra Herbeck-Engel, Bernd Morgenstern, Robert Weiss, Pedro Salvador Sedano, Dominik Munz

The Hexaphenyl-1,2-Diphosphonium Dication [Ph3P–PPh3]2+

10.26434/chemrxiv-2025-xt8vg

Posted

Jan 10, 2025

Arezou Fazli, Athanassia Athanassiou, Despina Fragouli

Current Approaches and Challenges in Advanced Oxidation Processes for Nanoplastic Degradation

10.26434/chemrxiv-2025-r15f3

Posted

Jan 10, 2025

Chapman Ho, Clíona McMahon, John-Paul Ayrton, Vijay Chudasama, Michael Thomas

Triggered ‘capture-and-release’ enables a high-affinity re-binding strategy for sensitivity enhancement in lateral flow assays

10.26434/chemrxiv-2025-fvdnr

Posted

Jan 10, 2025

Lucas Eddy, Chi Choi, Justin Sharp, Carter Kittrell, Yimo Han, James Tour

Did Thomas Edison Synthesize Graphene in 1879?

10.26434/chemrxiv-2025-q42xf

Posted

Jan 10, 2025

Ugochukwu M. Ikegwu, Panzheng Zhou, Reid C. Van Lehn, Victor M. Zavala, Aurora del Carmen Munguía-López

A Fast Computational Framework for the Design of Solvent-Based Plastic Recycling Processes

10.26434/chemrxiv-2025-xwrh1

Posted

Jan 10, 2025

Kristen W. Romero, Yuezhi Mao

Theory-guided design of Pd-catalysts for nondirected C-H functionalization governed by noncovalent interactions

10.26434/chemrxiv-2025-9cwx5

Posted

Jan 10, 2025

Youngmin Ko, Amanda Musgrove, Dong-Min Kim, Hyungyeon Cha, Liana Klivansky, Andrew Dopilka, Stephen Trask, Marco-Tulio Fonseca Rodrigues, Robert Kostecki, Gabriel Veith, Brett Helms

Electrode-Omics Reveals Epochs in Silicon Anode Evolution Underpinning Electro-Chemo-Mechanical Resilience

10.26434/chemrxiv-2025-h8d9h

Posted

Jan 10, 2025

Eimear Madden, Martijn Zwijnenburg

The Effect of Alkyl Termination on the Optical and Electronic Properties of Silicon Nanoparticles

10.26434/chemrxiv-2024-5qznh-v2

Posted

Jan 10, 2025

Data Efficient Learning of Molecular Slow Modes from Nonequilibrium Metadynamics

Jack Hanni, Dhiman Ray

10.26434/chemrxiv-2025-vswkj

Posted

Jan 10, 2025

Manish Kothakonda, Sarah LaCroix, Chengyu Zhou, Ji Yang, Ji Su, Qing Zhao

Discovering Ni/Cu Single Atom Alloy as a Highly Active and Selective Catalyst for Direct Methane Conversion to Ethylene: A First-Principles Kinetic Study

10.26434/chemrxiv-2025-v4h7d

Posted

Jan 10, 2025

Rong Ma, Yan Chang, Qimingxing Chen, Jianfeng Li, Bo Qiao

Precise PBAEs: A Highly Efficient Single-Molecularly Defined Gene-Delivery System

10.26434/chemrxiv-2025-9rw3r

Posted

Jan 10, 2025

J. V. Fontana, Ashish Garg

Optimal power-law fluid flow in tree-like branching network with self-similar and uniform roughness models

10.26434/chemrxiv-2024-jj18c-v2

Posted

Jan 10, 2025

Ryo Ohashi, Ryosuke Watari, Daisuke Kondo, Shuichi Otake, Tatsuhiko Murata, Go Kimura

Novel Approach to Pre-Exposure Prophylaxis (PrEP) of COVID-19: Development of S-892216 Long-acting Injectable Suspension

10.26434/chemrxiv-2025-2q127

Posted

Jan 10, 2025

Emilia J. Virtanen, Janne Yliharju, Esa Kukkonen, Tia Christiansen, Minnea Tuomisto, Arttu Miettinen, Ari Väisänen, Jani O. Moilanen

Separating critical elements from a NdFeB magnet with aminophosphonic acid functionalised 3D printed filters and their detailed structural characterisation with X-ray tomography

10.26434/chemrxiv-2025-mf608

Posted

Jan 10, 2025

Naoto Eguchi, Kohei Yamamoto, Hiroyuki Kanda, Santa Mondal, Takurou Murakami

Automation of the Antisolvent Method via an Automated Spin-coating System and the Effects of Reduced Surface Roughness and Depth Distribution of Residual PbI2 on Reproducibility

10.26434/chemrxiv-2025-g86dx

Posted

Jan 10, 2025

Lucile Bridou, Loeza Collobert, Kyangwi Malikidogo, Salauat Kiraev, Maher Hojorat, Nadège Hamon, Anh-Thy Bui, François Riobé, Akos Banyasz, Maryline Beyler, Raphael Tripier, Olivier Sénèque, Olivier Maury

Exploring Photophysical Properties and Sensitivity to Dioxygen in Anisolyl-Picolinate Antenna Conjugated to Azamacrocycles

10.26434/chemrxiv-2025-df42c

Posted

Jan 10, 2025

A Self-Balancing, Self-Stabilizing, and Self-Sufficient International Monetary System

Abdurrahman Arum Rahman

10.33774/coe-2022-s4k70-v7

Posted

Jan 10, 2025

The Basic Laws of Trade: Reconstructing the Theory of International Trade

Abdurrahman Arum Rahman

10.33774/coe-2022-qjrf5-v7

Posted

Jan 10, 2025

Emiliano Martinez-Vollbert, Suseelan Sarala Anjana, Fabian Dankert, Bernd Morgenstern, Dominik Munz

Gold(I) Terminal Imides: CH Auration and Dehydrogenation

10.26434/chemrxiv-2025-shkhb

Posted

Jan 10, 2025

Shianlin Wee, Xiliang Lian, Dario Gomez Vazquez, Mathieu Salanne, Maria R. Lukatskaya

Elucidating intercalation of transition metal guests to tailor properties of layered MXenes

10.26434/chemrxiv-2025-0t6x4

Posted

Jan 10, 2025

A Concise Linear Encoding of Crystallographic Space Group Settings and Group-Subgroup Relationships (CLEG)

Robert Hanson

10.26434/chemrxiv-2025-ptvpt

Posted

Jan 10, 2025

Martin Kejik, Hugo Semrad, Ales Styskalik, Jiri Pinkas

Thermodynamics of the Condensation of the Si8O20(SnMe3)8 Building Block with M–X (M = B, Al, Si, P, Ti, V, Zn, Sn, Sb, X = Cl, Me, Et) Precursors by DFT-D3 Calculations

10.26434/chemrxiv-2025-nmb2g

Posted

Jan 10, 2025

Lucie Lindenbeck, Anuja Nawadkar, Dirk Lützenkirchen-Hecht, Andreas Drichel, Marcella Frauscher, Björn Beele, Piotr Kuśtrowski, Prathamesh Patil, Christian Pichler, Yu Chen, Yi Yu, Christian Lehmann, Jiayin Yuan, Bruno Vinicius Manzolli Rodrigues, Adam Slabon

Electrocatalytic Lignin Depolymerization enabled by a Bio-mass-derived Iron Dual-Atom Catalyst: from Synthesis to an In-Operando X-Ray Absorption Spectroscopy Study

10.26434/chemrxiv-2025-jnt4c

Posted

Jan 10, 2025

Aleksandra Zasada, Dawid Lichosyt

Regioselective Hydrocyanation of Internal Alkynes Enabled by a Transition-Metal-Free Dual-Catalytic System

10.26434/chemrxiv-2025-qhvvj

Posted

Jan 10, 2025

Carlos Castillo-Orellana, Farnaz Heidar-Zadeh, Esteban Vöhringer-Martinez

Nonbonded force field parameters derived from Atom-In-Molecules methods reproduce interactions in proteins from first--principles

10.26434/chemrxiv-2025-ttjb3

Posted

Jan 10, 2025

Lulu Wu, Wen-Jin Wang, Yuting Lin, Weiren Zhong, Jifu Wang, Jianyu Zhang, Zheng Zhao, Fritz E. Kühn, Yun Xu, Qiang Yong, Ben Zhong Tang, Xu-Min Cai

A nature-inspired steroid-like electron acceptor to polarity-dependent probe for visualizing lipid evolution in Alzheimer’s disease

10.26434/chemrxiv-2025-8bqws

Posted

Jan 10, 2025

The GOOGLE and XPRIZE award for how to use quantum computers practically: The problem of the “P” versus “NP” outputs of any quantum computer and the pathway for its resolving

Vasil Penchev

Posted

Jan 10, 2025

10.33774/coe-2025-5z76c

Xueshu Li, Joe Lim, Cayen Rong, Hans-Joachim Lehmler, Julia Cui

Deconjugation of Polychlorinated Biphenyl Sulfates to Hydroxylated PCBs by Anaerobically Cultured Mouse and Human Gut Microbiota

Version undefined posted 12 January 2025

Posted

Jan 12, 2025

10.26434/chemrxiv-2025-f0lwx

Ohyun Kwon, Jeremy Dworkin, Zhuoxi Chen, Kathleen Cheasty, Aris Rubio

Isayama–Mukaiyama Peroxidation Eschews Ozonolysis in Hydrodealkenylation

10.26434/chemrxiv-2025-vz1c5

Posted

Jan 13, 2025

Ren Itagaki, Akinobu Nakada, Hajime Suzuki, Osamu Tomita, Ho-Chol Chang, Ryu Abe

Phase-migrating Z-scheme charge transportation enables photoredox catalysis harnessing water as an electron source

10.26434/chemrxiv-2025-lkl4q

Posted

Jan 13, 2025

Anna Berlicka, Aleksandra Walczak, Michał Białek, Katarzyna Ślepokura, Piotr Chmielewski, Lechosław Latos-Grażyński

Ruthenocenoporphyrinoids - π-Conjugation Transmitted Across 1,3-Substituted Ruthenocene

10.26434/chemrxiv-2024-5f7x4-v2

Posted

Jan 13, 2025

Vignesh Athiyarath, Elma Naranjo, Dhwanit Dave, Osman Goni Ridwan, Danilo A. Arturo Rodriguez, Qiang Zhu, Marta Monti, Gonzalo Díaz Mirón, Debarshi Banerjee, Ali Hassanali, Michelle C. Neary, Sheng Zhang, Rein V. Ulijn, Xi Chen

Context-Adaptive Nanotopology in Peptide Crystals

10.26434/chemrxiv-2024-0h3km-v2

Posted

Jan 13, 2025

Shizuka Anan, Kenta Kokado

Simultaneous Multi-dye Adsorption using MTV-MOFs Composed of Organic Ligands with Different Properties

10.26434/chemrxiv-2025-h7vnc

Posted

Jan 13, 2025

Rosemary L. Calabro, Garret L. Longstaff, Edward M. Tang, Veronika M. Xiao, Alexa S. Zammit, Felita W. Zhang, Enoch A. Nagelli, Peter H. Chapman, Timothy J. Lawton, Anchor R. Losch, Jesse L. Palmer, Alexander D. Ciampa, Ian Z. Burpeau, Veronica M. Lucian, Galen T. Mandes, Stephen F. Bartolucci, Joshua A. Maurer, F. John Burpo

Magnetic Field-Assisted Fe Nanowire Conformable Aerogels Galvanically Displaced to Cu and Pt for 3-Dimensional Electrode Applications

10.26434/chemrxiv-2025-2r4p5

Posted

Jan 13, 2025

Sayuri Higashi, Ryutaro Fujimoto, Koichiro Hirosawa, Kenichi Suzuki, Masato Ikeda

Impact of molecular structure as sticker–spacer model on formation and internal environments of coacervates composed of low-molecular- weight compounds

10.26434/chemrxiv-2025-8mns1

Posted

Jan 13, 2025

Young Eum Hyun, Jeonguk Kweon, Thi Hieu Linh Phan, Dongwook Kim, Sunkyu Han

α-N-Phthalimido-Oxy Isobutyrate-Mediated Deoxygenative Arylation: Total Synthesis of Alanenses A and B

10.26434/chemrxiv-2025-mw3nk

Posted

Jan 13, 2025

Evolution Path of Nitrogen-Water Cluster Cation: A Theoretical Study

Sihan Zhang, Zile Zhu

10.26434/chemrxiv-2024-3nnbx-v2

Posted

Jan 13, 2025

Aniket Mandal, John Herbert

Simplified tuning of long-range corrected time-dependent density functional theory

10.26434/chemrxiv-2025-7js76-v2

Posted

Jan 13, 2025

Diana Avadanii, Steffen Ganschow, Markus Stypa, Sonja Müller, Sabrina Lang, Dominik Kramer, Christoph Kirchlechner, Reiner Mönig

Disconnected Lithium Metal Damages Solid-State Electrolytes

10.26434/chemrxiv-2025-lt941

Posted

Jan 13, 2025

Feiyang Chen, Sean T. McDermott, Chinthani D. Liyanage, Elizabeth E. B. Brown, Mahdad Mahmoudi, Douglas H. Adamson

Flame Resistant Polyurethane PolyHIPEs Stabilized with Graphene

10.26434/chemrxiv-2025-8smvf

Posted

Jan 13, 2025

Arkaprava Banerjee, Kunal Roy

The multiclass ARKA framework for developing improved quantitative RASAR models

10.26434/chemrxiv-2025-5qsh2

Posted

Jan 13, 2025

Sima Singh, Stefania Melini, Ada Raucci, Arshid Numan, Mohammad Khalid, Rosaria Meli, Claudio Pirozzi, Stefano Cinti

A portable and versatile rGO-Co₃O₄-Pt Nanocomposite-based Electrochemical Sensor for In Vitro and In Vivo Cardiac Stress Monitoring

10.26434/chemrxiv-2025-d65jx

Posted

Jan 13, 2025

Salvador Montilla-Verdú, Xavier Marset, Elio Rico, Maxime Contreras, Antonio Rodes, Néstor Guijarro

Continuous electro-oxidation of lignin to vanillic and syringic acid at near 100 mA·cm-2

10.26434/chemrxiv-2025-5gh0w

Posted

Jan 13, 2025

Tyler Kerr, Yessica Nelson, Nick Bernier, Alexander Spokoyny

An Electrochemical Strategy for Chalcogenation of closo-Dodecaborate (B12H12)2– Anion

10.26434/chemrxiv-2025-t38ql

Posted

Jan 13, 2025

Aiting Kai, Austin Mroz, Kim Jelfs, Andrew Cooper, Marc Little, Rebecca Greenaway

Construction of an organic cage-based porous ionic liquid using an aminal tying strategy

10.26434/chemrxiv-2025-wzm1c

Posted

Jan 13, 2025

Dhamelyz Silva-Quinones, Xingjian Hu, Brian Cole, Anna Bethke, Alexander Hool, Yilin Zhao, William Collins, Wubin Bai, Qiangu Yan, Jianjun Wei, Michael D. Dickey, Daniel Franke, Aaron D. Franklin, Haozhe Wang

Surface Termination Engineering of 2D Titanium Carbides for Light-Activated Soft Robotics Applications

10.26434/chemrxiv-2025-tv2mt

Posted

Jan 13, 2025

Chensen Li, Yaohui Li, Minghui Wu, Fancheng Kong, Binxia Jia, Zonghang Liu, Philip C.Y. Chow, Zheng Zhao, Ryan T. K. Kwok, Jacky W. Y. Lam, Yucheng Liu, Shengzhong (Frank) Liu, Ben Zhong Tang

Efficient organic X-ray scintillators achieved by hybridized local and charge-transfer emitters with through-space heavy atom-π interactions

10.26434/chemrxiv-2025-dhj18

Posted

Jan 13, 2025

Gianluca Cavazzoli, Iacopo Gamberoni, Sarah Mazzotta, Alberto Bossi, Marta Penconi, Anna Bernardi, Luca Pignataro

Synthesis of α-arylglycosides by Ni-photoredox arylation of sugars with an organic photocatalyst

10.26434/chemrxiv-2025-kzczd

Posted

Jan 13, 2025

Elio Rico, Xavier Marset, Francisco J. Pastor, Salvador Montilla-Verdú, Wu Lan, Liang Yao, Néstor Guijarro

The Role of Colloidal Quantum Dots Capping Ligands in Photocatalytic Lignin Valorization

10.26434/chemrxiv-2025-db58r

Posted

Jan 13, 2025

Alix Munoz, Jeanne Brotier, Laetitia Barthe, Guénaël Thiault, Joëlle Vinh

Strategies for organic pollutants analysis: a global overview to start your LC method development.

10.26434/chemrxiv-2025-4schc

Posted

Jan 13, 2025

Controlling Large Language Model Hallucination Based on Agent AI with LangGraph

Jialin Wang, Zhihua Duan

Posted

Jan 13, 2025

10.33774/coe-2025-xkwl5

Natural Language Processing: Revolutionizing Machine Comprehension of Human Language

ARUN KUMAR

Posted

Jan 13, 2025

10.33774/coe-2025-mk038

Bipashyee Ghosh, Patience Mguni

Sustainability transitions in the Global South

Posted

Jan 13, 2025

10.33774/coe-2025-c9v1q

Dean Schafer, Franziska Wagner, Mehmet Yavuz

Measuring Illiberalism: Mapping Illiberalism in Seven Countries, 2000-2022

10.33774/apsa-2025-xdd54-v2

Posted

Jan 13, 2025

Mathematics

A Rigorous Holonomy Mechanism for a Non-Perturbative Mass Gap inFour-Dimensional SU(N) Yang-Mills Theory

Yuta Agawa

Posted

Jan 14, 2025

10.33774/coe-2025-zgw9q

Davide Bordignon, Massimo Guarnieri

Progress in flow-battery shunt current investigations: a species-resolved foundational approach

10.26434/chemrxiv-2025-pvdm9

Posted

Jan 14, 2025

Benjamin Lam, Robert Ramji, Margaret Mullooly, Kristina D. Closser, Tod A. Pascal, Jesse V. Jokerst

Mechanism of Cationic Peptide-Induced Assembly of Gold Nanoparticles: Modulation of Electrostatic Repulsion

10.26434/chemrxiv-2025-vfmm7

Posted

Jan 14, 2025

Sean Brown, Evan Allgair, Robin Kryštůfek

Mapping the Edges of Mass Spectral Prediction: Evaluation of Machine Learning EIMS Prediction for Xeno Amino Acids

10.26434/chemrxiv-2025-fbbkn

Posted

Jan 14, 2025

Yair Davidson, Aviad Philipp, Sabyasachi Chakraborty, Alex M. Bronstein, Renana Gershoni-Poranne

How Local is `Local'? Deep Learning Reveals Locality of the Induced Magnetic Field of Polycyclic Aromatic Hydrocarbons

10.26434/chemrxiv-2025-pqmcc

Posted

Jan 14, 2025

Darik Rosser, Kevin Leonard

High-Speed Cyclic Voltammetry Regressions Using Machine Learning

10.26434/chemrxiv-2025-xlxcp

Posted

Jan 14, 2025

Davide Bordignon, Nicolò Zatta, Andrea Trovò

An extensive scaling-up oriented investigation on carbon felt flow- through and interdigitated Vanadium Flow Batteries cells

10.26434/chemrxiv-2025-3p3kn

Posted

Jan 14, 2025

Matthew Styles, Michelle Boursier, Cassandra Doody, Kayleigh Nyffeler, Helen Blackwell

Insights into the Mechanisms of Small Molecule-Induced Agonism and Antagonism of a Quorum Sensing Receptor in Pseudomonas aeruginosa

10.26434/chemrxiv-2025-pbxfg

Posted

Jan 14, 2025

Roby Gauthier, Hongyi Lin, Haotian Chen, Venkatsubramanian Viswanathan, Jay Whitacre

Formation Accelerated Stress Test (FAST): A New Technique to Study Anode Passivation in Lithium-ion Cells using Differential Capacity, Low Salt Concentration and Low Temperature.

10.26434/chemrxiv-2025-kb9l7

Posted

Jan 14, 2025

Pauline Lynch, Renee Frontiera

Identifying driving and spectator phonon modes in pentacene exciton transport

10.26434/chemrxiv-2025-nvv8h

Posted

Jan 14, 2025

Subhadeep Banerjee, Sharma S. R. K. C. Yamijala

Formation and Evolution of Solid Electrolyte Interphase at Calcium Surfaces

10.26434/chemrxiv-2025-7v8kn

Posted

Jan 14, 2025

Siwei Zhang, Fulong Ma, Jinhui Jiang, Ryan Kwok, Junyi Gong, Zheng Zhao, Jacky Lam, Tang Ben Zhong

Isotope Engineering in Tetraphenylethylene: Aggregate-Dependent Photophysical Enhancements

10.26434/chemrxiv-2025-lq26q

Posted

Jan 14, 2025

Anastasia Croitoru, Anmol Kumar, Jean-Christophe Lambry, Jihyeon Lee, Suliman Sharif, Wenbo Yu, Alex MacKerell, Alexey Aleksandrov

Increasing the Accuracy and Robustness of the CHARMM General Force Field with an Expanded Training Set

10.26434/chemrxiv-2025-zkg2q

Posted

Jan 14, 2025

Dylan Novack, Robert M Raddi, Si Zhang, Matthew F D Hurley, Vincent A Voelz

A simple method to optimize the spacing and number of alchemical intermediates in expanded ensemble free energy calculations

10.26434/chemrxiv-2025-7fdpf

Posted

Jan 14, 2025

Edgar López López, Ana Margarita Hernández-Segura, Carlos Lara-Cuellar, Carolina Barrientos-Salcedo, Carlos M. Cerda-García-Rojas, José L. Medina-Franco

Nat-UV DB: A Natural Products Database Underlying of Veracruz-México

10.26434/chemrxiv-2025-zcj87

Posted

Jan 14, 2025

Wei Feng, Luyan Zhang, Yaobo Cheng, Jin Wu, Chunguang Wei, Junwei Zhang, Kuang Yu

Screening and Design of Aqueous Zinc Battery Electrolytes Based on the Multimodal Optimization of Molecular Simulation

10.26434/chemrxiv-2025-23xh1

Posted

Jan 14, 2025

Yuguang Sui, Jiahang Hao, Shaofei Wu, Longbin Ren, Zebing Zeng, Jishan Wu, Yong Ni

Aromaticity and through-space electronic coupling in [2]catenanes comprising two intertwined, globally electron-delocalized octaphyrinoid rings

10.26434/chemrxiv-2025-k6rc2

Posted

Jan 14, 2025

Sumaiya Nahid, Fahad Rahman, Yu Du, Brittany Spitznagel, Sandeep Singh, Yashpal Chhonker, Daryl Murry, C. David Weaver, Corey Hopkins

Further SAR of GIRK1/2 positive allosteric modulators: Synthesis and Biological Characterization of In Vitro Tool Compounds

10.26434/chemrxiv-2024-n5tmv-v2

Posted

Jan 14, 2025

Veerabhadra R. Vulupala, Disni Gunasekera, Ramy Yousef, Nagarjun R. Mallampudi, Yusif Gyasi, Ramidi Gopal Reddy, Shiqing Xu

Bench-Stable Boryl Dication Enables Aziridinyl Boronate Synthesis via Metal-Free Late-Stage Aziridination with Diverse Nitrogen Nucleophiles

10.26434/chemrxiv-2025-gmfsv

Posted

Jan 14, 2025

Yusif Gyasi, Satyanarayana Nyalata, Sophea Pa, Disni Gunasekera, Veerabhadra R. Vulupala, Nagarjun R. Mallampudi, Shiqing Xu

Facile One-Pot Synthesis of α-Boryl Ureas and Carbamates via in situ Generated α-Boryl Isocyanates to Uncover a Potent Main Protease Inhibitor

10.26434/chemrxiv-2025-glhfk

Posted

Jan 14, 2025

Mathematics

David Edwards, Pak-Wing Fok, Richard Moore, Brian Sutton, Maxim Zyskin

Communication Channel Optimization

Posted

Jan 15, 2025

10.33774/miir-2025-nt1rv

Management

California Wildfires: A Holistic Systemic Management Approach to Urban Resilience

Cesar Marolla

Posted

Jan 15, 2025

10.33774/coe-2025-ttng2

Area Studies

The concept of copy in modern architecture

Giada Di Trinca

Posted

Jan 15, 2025

10.33774/coe-2025-pdq6x

Severin T. Schneebeli, Kyle J. Colston, Kyle T. Faivre

Permeation Enhancer-Induced Membrane Defects Assist the Oral Absorption of Peptide Drugs

10.26434/chemrxiv-2025-n24f8

Posted

Jan 15, 2025

Chia-Lung Tsai, Xi Chen, Ramidi Reddy, Xin Yan

Bifunctional Tagging Through N-doped Ozonide for Charge Switch-ing and Isomeric Characterization of Glycerophospholipids Using Tandem Mass Spectrometry

10.26434/chemrxiv-2025-ttctv

Posted

Jan 15, 2025

Politics, Bit by Bit: A Formal Link Between Entropy and the Effective Number of Parties

Jack Bailey

10.33774/apsa-2025-73pkd-v3

Posted

Jan 15, 2025

Building Local Capacity: The Initiative for Civic Leadership at UT Dallas

Amanda Clark

Posted

Jan 15, 2025

10.33774/apsa-2025-v8018

Lukas Hertle, Hyeon Ko, Valentin Gantenbein, Hao Ye, Andrea Veciana, Fabian C. Landers, Minsoo Kim, Elric Zhang, Josep Puigmartí-Luis, Marta Estrader, Xiang-Zhong Chen, Bradley J. Nelson, Salvador Pané

A covalently bonded exchange coupled nanomagnet-based hydrogel composite for microrobotic applications

10.26434/chemrxiv-2025-d52j7

Posted

Jan 16, 2025

Jian Hao, Piotr Mieczyslaw Gebolis, Piotr Marcin Gach, Mojtaba Chevalier, Luc Sébastien Bondaz, Ceren Kocaman, Kuang-Jung Hsu, Kapil Bhorkar, Deepu Babu, Kumar Varoon Agrawal

Scalable synthesis of CO2-selective porous single-layer graphene membranes

10.26434/chemrxiv-2025-z8g2d

Posted

Jan 16, 2025

Lucia Anghileri, Haralds Baunis, Aleksander R. Bena, Christos Giannoudis, John H. Burke, Susanne Reischauer, Christoph Merschjann, Rachel F. Wallik, Callum E. Adams, Gianluca Simionato, Sergey Kovalenko, Tarek Al Said, Luca Dell’Amico, Renske M. van der Veen, Bartholomäus Pieber

A photoactive nickel complex provides evidence for a general Ni(I)/Ni(III) paradigm in cross-coupling catalysis

10.26434/chemrxiv-2024-896n0-v2

Posted

Jan 16, 2025

Ugochukwu Ikegwu, Aurora del Carmen Munguía-López, Reid C. Van Lehn, Victor M. Zavala

Screening Green Solvents for Multilayer Plastic Film Recycling Processes

10.26434/chemrxiv-2025-zrmnp

Posted

Jan 16, 2025

Design and Optimization of an N-Pt-N Coordinated Phenalene Model for Enhanced Photocatalytic Hydrogen Evolution

10.26434/chemrxiv-2025-n5v68

Posted

Jan 16, 2025

Yanfei Shen, Qian Sun, Yuchen Wang, Fan Mo, Xinzhou Huang, Ying Zheng, Guoqiu Wu, Yuanjian Zhang, Christine M. Aikens

Silver Doping Boosts Electrochemiluminescence of Copper Nanocluster Assemblies

10.26434/chemrxiv-2025-1n5g4

Posted

Jan 16, 2025

Sujan Sen, Anil Kumar, Sounak Roy, Tapas Kumar Mandal

Induced bifunctionality by mechanical blending of OER and ORR active 3D perovskite electrocatalysts for zinc-air batteries

10.26434/chemrxiv-2025-hc64q

Posted

Jan 16, 2025

Kshithij Mysore Nandishwara, Shuan Cheng, Pengjun Liu, Huimin Zhu, Xiaoyu Guo, Fabien C.-P. Massabuau, Robert L.Z. Hoye, Shijing Sun

Vision intelligence assists microstructural optimization of Ag-Bi-I perovskite-inspired materials

10.26434/chemrxiv-2025-q53n2

Posted

Jan 16, 2025

Fatimah Khaleel, Sabyasachi Chakraborty, Renana Gershoni-Poranne

Polybenzenoid Hydrocarbons in the S1 State: Simple Structural Motifs Predict Electronic Properties and (Anti)Aromaticity

10.26434/chemrxiv-2025-sbg6w

Posted

Jan 16, 2025

Julius Seumer, Nicolai Ree, Jan H. Jensen

Enhancing Chemical Synthesis Planning: Automated Quantum Mechanics-Based Regioselectivity Prediction for C-H Activation with Directing Groups

10.26434/chemrxiv-2025-vssxt

Posted

Jan 16, 2025

Ange A. Maurice, Pablo A. Prieto-Díaz, Marcos Vera

Low-cost optical multi-wavelength sensor for accurate real-time state-of-charge monitoring in vanadium flow batteries

10.26434/chemrxiv-2025-sx9jq

Posted

Jan 16, 2025

Adem Rosenkvist Nielsen Aouichaoui, Jingkang Liang, Jens Abildskov, Gürkan Sin

Fair Benchmarking of Group Contribution and Machine Learning Models for Property Prediction: A New Data Splitting Strategy

10.26434/chemrxiv-2025-3fx8d

Posted

Jan 16, 2025

Keitaro Kasahara, Johannes Seiffarth, Birgit Stute, Eric von Lieres, Thomas Drepper, Katharina Nöh, Dietrich Kohlheyer

Unveiling microbial single-cell growth dynamics under rapid periodic oxygen oscillations

10.26434/chemrxiv-2025-732st

Posted

Jan 16, 2025

Martin Šetek, Valentino Guerra, Harry Robson, Anna Geleverya, Ondřej Maxa, Anna Lamancová, Václav Eigner, Dana Nachtigallová, Ján Tarábek, Petr Kovaricek

Closed-to-open-shell ground state solid state photoswitching of thienyl-based acylhydrazones

10.26434/chemrxiv-2025-ggvh2

Posted

Jan 16, 2025

Ryo Kuroda, Eisho Toyama, Tomoya Sugai, Maho Imai, Kohei Watanabe, Natsuki Konoue, Katsuya Maruyama, Mio Kondo, Shigeyuki Masaoka, Tsuyoshi Saitoh, Kounosuke Oisaki, Motomu Kanai

Electrochemical Tryptophan-Selective Bioconjugation

10.26434/chemrxiv-2025-s1wv9-v3

Posted

Jan 16, 2025

Jiarui Fu, Takayuki Nakamuro, Eiichi Nakamura

Nanodiamond synthesis from adamantane by electron-beam driven C–H activation at 100 K

10.26434/chemrxiv-2024-fk6qk-v2

Posted

Jan 16, 2025

Karina Kinuyo Nakashima, Fatma Zohra Mihoubi, Jagandeep Saraya, Kieran Russell, Fidan Rahmatova, James Robinson, Maria Julia Maristany, Jan Huertas, Roger Rubio-Sánchez, Rosana Collepardo-Guevara, Derek O'Flaherty, Claudia Bonfio

Compositional and functional diversity of minimal primitive coacervates in a nucleic acid-peptide world

10.26434/chemrxiv-2024-l40ch-v2

Posted

Jan 16, 2025

Tom Demeyere, Tom Ellaby, Misbah Sarwar, David Thompsett, Chris-Kriton Skylaris

Bridging Oxide Thermodynamics and Site-Blocking: A Computational Study of ORR Activity on Platinum Nanoparticles

10.26434/chemrxiv-2024-zh4w2-v3

Posted

Jan 16, 2025

Jason S. Terreblanche, Tongjun Luo, Louis F. J. Piper, Wesley M. Dose

Degradation pathways in lithium-ion batteries with ethylene carbonate-free electrolytes

10.26434/chemrxiv-2024-nmnr8-v4

Posted

Jan 16, 2025

Chao Wang, Elvira Sayfutyarova

Diverging Reaction Pathways and Key Intermediates in Ethylene Forming Enzyme

10.26434/chemrxiv-2024-pz39d-v2

Posted

Jan 16, 2025

Yu Wang, Limin Wang, Jianwei Han

Photo-induced Vicinal Difunctionalization of Diaryliodonium Salts to Access Bis(tetraphenylphosphonium) Salts

10.26434/chemrxiv-2024-z0f6s-v2

Posted

Jan 16, 2025

Juan Ángel de Gracia Triviño

Revisiting random insertion for packing molecules in a box

10.26434/chemrxiv-2025-z984k-v2

Posted

Jan 16, 2025

Titus Masese, Godwill Kanyolo

Inorganic Solid-State Electrolytes in Potassium Batteries: Advances, Challenges, and Future Prospects

10.26434/chemrxiv-2024-6j47c-v2

Posted

Jan 16, 2025

Kayvan Moradi, Maysam Ashrafi, Abdollah Salimi, Marko Melander

Hierarchical MoS2@NiFeCo-Mo(doped)-Layered Double Hydroxide Heterostructures as Efficient Alkaline Water Splitting (Photo)Electro-catalysts

10.26434/chemrxiv-2024-7cs2z-v2

Posted

Jan 16, 2025

Weigang Lu, Rohil Kayastha, Blake Birmingham, Bernd Zechmann, Zhenrong Zhang

How Hot Plasmonic Heating Can Be: Phase Transition and Melting of P25 TiO2 from Plasmonic Heating of Au Nanoparticles

10.26434/chemrxiv-2024-ft067-v2

Posted

Jan 16, 2025

Koki Ogawa, Rena Kobayashi, Nanami Okada, Kenji Mishiro

Light-Induced Conjugation of Inorganic Phosphate and Sulfate with Aminocyclobutenediones under Aqueous Conditions

10.26434/chemrxiv-2024-xf1x0-v4

Posted

Jan 16, 2025

Miaomiao Zhang, Yuming Su, Tianyi Du, Shihao Ding, Jieyu Dai, Cheng Wang, Yun Liu

Using Data Science to Interrogate Transition State Stabilization in Anion-Binding Catalysis for Disulfide Ring-Opening Polymerization

10.26434/chemrxiv-2024-m9tkn-v2

Posted

Jan 16, 2025

Yaelle Fischer, Ruel Cedeno, Dhoha Triki, Bertrand Vivet, Philippe Schambel

Evaluating the Diversity and Target Addressability of DELs using Scaffold Analysis and Machine Learning

10.26434/chemrxiv-2024-9fm01-v2

Posted

Jan 16, 2025

Dominik Suwała, Eugen Hruška

The wins and failures of current docking methods tested on the flexible active site of cytochromes P450

10.26434/chemrxiv-2024-05299-v2

Posted

Jan 16, 2025

Brody Stack, Miguel Hernández-del-Valle, Aroa Mascaraque-León, Loris Langeois, Jacob Porath, Juan Pedro Fernandez-Blazquez, Mónica Echeverry-Rendón, Maciej Haranczyk

Streamlining Material Testing: Collaborative Robotics for Specimen Monitoring

10.26434/chemrxiv-2024-54xvd-v2

Posted

Jan 16, 2025

Erik Svensson Grape, Alfredo Lopez-Olvera, Yan Zheng, Yu Xia, Tom Willhammar, A. Ken Inge

Guest-directed synthesis reveals vast family of robust polyphenolic metal-organic frameworks

10.26434/chemrxiv-2024-n90rn-v2

Posted

Jan 16, 2025

Nan Qiu, Hao Tan, Dany Pechalrieu, Daniel Abegg, Deepanshu Fnu, Poulami Mukherjee, Angel Renteria Gomez, Osvaldo Gutierrez, David C. Powers, Alexander Adibekian

Proteome-wide Covalent Targeting of Acidic Residues with Tunable N-Aryl Aziridines

10.26434/chemrxiv-2025-clgct

Posted

Jan 16, 2025

Chemical-Intuition-Based Machine-Learning (ML) yield prediction for Mizoroki-Heck C-glycosylation

Thibaud Mabit

10.26434/chemrxiv-2025-bdrzc

Posted

Jan 16, 2025

Martin Otero-Lema, Kateryna Goloviznina, Luis Miguel Varela, Mathieu Salanne, Hadrian Montes-Campos, ALESSANDRA SERVA

Proton transfer in [HEIM][TFSI] ionic liquid: insights from polarisable and neural network simulations

10.26434/chemrxiv-2025-fcbgl

Posted

Jan 16, 2025

Arsalan Hashemi, Pekka Peljo, Tapio Ala-Nissila, Kari Laasonen

Boosting Predictability: Towards Rapid Estimation of Organic Molecule Solubility

10.26434/chemrxiv-2025-4111w

Posted

Jan 16, 2025

Mariano Paredes, Dionisio Poveda, Pablo González-Herrero, Ángela Vivancos

Bimetallic Platinum(II) Complexes with Bridging Di-NHC and N^C^C Ligands: Synthesis and Photophysical Properties

10.26434/chemrxiv-2025-kc3dz

Posted

Jan 16, 2025

Chuanyu Hou, Miao Xie, Jianhui Wang

Donor-Acceptor Index as a Descriptor for Electrolyte Design in High-Voltage Aqueous Batteries

10.26434/chemrxiv-2025-7l17q

Posted

Jan 16, 2025

Samantha Burgess, Xiao Wang, Dirk Stueber, Yunyi Wang, Ryan Cohen, Yu-hong Lam, Luca Iuzzolino, Mikhail Reibarkh

Characterization of the tautomeric equilibrium of molnupiravir, an antiviral for the treatment of COVID-19

10.26434/chemrxiv-2025-jnmn1

Posted

Jan 16, 2025

James Mark Alexander Steele, Annalena R Genreith-Schriever, Joshua D Bocarsly, Liam Agostino Vincenzo Nagle-Cocco, Farheen N Sayed, Marie Juramy, Christopher A O'Keefe, Fabio Orlandi, Pascal Manuel, Siân E Dutton, Clare P Grey

Structural Elucidation of Na2/3NiO2, A Dynamically Stabilised Cathode Phase with Ni Charge- and Na Vacancy- Ordering

10.26434/chemrxiv-2025-3k58h

Posted

Jan 16, 2025

Jessica Zhong, Maxime Boudjelel, Jake Evans, Ian Vanswearingen, Christian Malapit

The radical-radical cross-coupling of alkyl carboxylic acids and organoborons

10.26434/chemrxiv-2025-bw2xl

Posted

Jan 16, 2025

Suliman Sharif, Anmol Kumar, Alex MacKerell

Non-Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy Scans

10.26434/chemrxiv-2025-b7qp7

Posted

Jan 16, 2025

Mattia Lepori, Cassie Pratley, Indrasish Dey, Veronika Roider, Joshua Philip Barham

Photocatalysis Enables Chemodivergent Radical Polar Crossover: Ritter-Type Amidation vs Heck-Type Olefin Carbofunctionalizations

10.26434/chemrxiv-2025-cjjxv

Posted

Jan 16, 2025

Luisa Gomes, Huidong Dai, Daniel Chambers, Victor Ribeiro Sanctis, Kevin Yang, Ruizhi Dong, Anhtu Do, Tongtai Ji, Sanjeev Mukerjee

Comprehensive Study on Solvent Dynamics in Gel Polymer Electrolytes for Lithium-Sulfur Battery

10.26434/chemrxiv-2025-1szzf

Posted

Jan 16, 2025

Cheng-Han Li, Mehmet Cagri Kaymak, Maksim Kulichenko, Nicholas Lubbers, Benjamin Nebgen, Sergei Tretiak, Joshua Finkelstein, Daniel Tabor, Anders Niklasson

Shadow Molecular Dynamics with a Machine Learned Flexible Charge Potential

10.26434/chemrxiv-2025-x8b23

Posted

Jan 16, 2025

Hiroyuki Kanda, Santa Mondal, Naoto Eguchi, Naoyuki Nishimura, Yoyo Hinuma, Kohei Yamamoto, Masaki Yumoto, Kenichi Tashiro, Hideyuki Takada, Aiko Narazaki, Takurou N. Murakami

Heteroaryl Derivatives for Hole-Transport Layers Improve Thermal Stability of Perovskite Solar Cells

10.26434/chemrxiv-2025-rhzlk

Posted

Jan 16, 2025

Thomas Hasiweder, Hoan Dinh, Dilip Pandey, Aleksandr Sorvanov, Julia Khusnutdinova

Celite-Catalyzed Mechanochemical C-H Bond Trifluoromethylation and Pentafluoroethylation

10.26434/chemrxiv-2025-bn6l7

Posted

Jan 16, 2025

Chieh-Min Hsieh, Alexander Dellwisch, Tim Neudecker

Modeling the Projected Range of Protons in Matter: Insights from Molecular Dynamics and Quantum Chemistry

10.26434/chemrxiv-2025-jvbb7

Posted

Jan 16, 2025

Robin Engel, Filippo Romeggio, Vivianne K. Ocampo-Restrepo, Jonathan F. Schouenborg, Emanuel R. Billeter, Markus Soldemo, David Degerman, Fernando Garcia-Martinez, Jakob Kibsgaard, Ib Chorkendorff, Jens K. Nørskov, Christian D. Damsgaard, Anders Nilsson, Patrick Lömker

Mechanistic Insights into Ni₅Ga₃ Thin Film Catalysts: An Ambient Pressure XPS and DFT Study

10.26434/chemrxiv-2025-w5m50

Posted

Jan 16, 2025

Katherine Stanley, R. Houston Givhan, Justin Turney, Henry F. Schaefer III

Giant Dipole Moments: Remarkable Effect of Single Solvent Molecules on 5, 6- Diaminobenzene-1,2,3,4-Tetracarbonnitrile

10.26434/chemrxiv-2025-57clc

Posted

Jan 16, 2025

Hugh Britton, Alberto Santa Daría, Chao Lyu, Dejan-Krešimir Bučar, Alethea Tabor, Bob Schroeder, Sandra Gómez, Jose Manuel Marin-Beloqui

Geometric Orthogonality as a Recipe for Efficient Single-Molecule Charge Generation in Core Substituted NDI Derivatives

10.26434/chemrxiv-2025-mq7r4

Posted

Jan 16, 2025

Maartje Otten, Inèz Klein Gebbink, Patrick Schara, Željko Tomović, Martin Lutz, Pieter Bruijnincx, Arnaud Thevenon

Post-Polymerisation Modification of Polyethylene through Photochemical Oximation

10.26434/chemrxiv-2025-0qtt3

Posted

Jan 16, 2025

Marco Amores, Antonela Gallastegui, Luke A. O’Dell, Kwang Loon Ang, Aleksandar N. Nikoloski, David Mecerreyes, Robert Kerr, Cristina Pozo-Gonzalo

Rational design of lithium sulphonamide polymeric cation exchange membranes for LiOH production by electrodialysis

10.26434/chemrxiv-2025-ctmnh

Posted

Jan 16, 2025

Sneha Melath, Xiang You, Lingzi Sang

Non-covalent Interactions Promoted Kinetics in Perylene Diimide-based Aqueous Zn-ion Batteries: an operando ATR-IR Study

10.26434/chemrxiv-2025-rpknn

Posted

Jan 16, 2025

Ryo Ohashi, Shuichi Otake, Tatsuhiko Murata, Ryosuke Watari, Shinpei Yoshida, Mikiko Kitade, Daisuke Kondo, Go Kimura

Selection of Solubility Enhancement Technologies Depending on Developmental Stage: A Case Study of S-892216, a Poorly Water-Soluble Drug

10.26434/chemrxiv-2025-3lz55

Posted

Jan 16, 2025

Rethinking Writing Assignments for Advocacy, Discovery, and Democracy

Bobbi Gentry

Posted

Jan 16, 2025

10.33774/apsa-2025-qx854

Lisa Boatner, Jerome Eberhardt, Flowreen Shikwana, Matthew Holcomb, Peiyuan Lee, Kendall Houk, Stefano Forli, Keriann Backus

CIAA: Integrated Proteomics and Structural Modeling for Understanding Cysteine Reactivity with Iodoacetamide Alkyne

10.26434/chemrxiv-2025-tm8ch

Posted

Jan 17, 2025

Deepta Chattapadhyay, En-Chih Liu, Mark Jeffrey Diaz, Arunava Maity, Benjamin A. Bratten, Quentin Michaudel

Radical Sorting as a General Framework for Deaminative C(sp3)–C(sp2) Cross-Coupling

10.26434/chemrxiv-2025-j3lq0

Posted

Jan 17, 2025

Yujie Cao, Justin Perry, Eryun Zhang, Andy Trinh, Arnav Kacker, Shayne Cruz, Hannah Ceballos, Aaron Pan, Wendong Huang, Kevin Kou

Synthesis of Protoberberine Alkaloids by C–H Functionalization and Anionic Aza-6π-Electrocyclization: Dual Activity as AMPK Activators and Inhibitors

10.26434/chemrxiv-2025-78nhj

Posted

Jan 17, 2025

Jorge C. Garcia-Alvarez, Samer Gozem

Implementation of an ellipsoidal-cavity field correction for computed molecular oscillator strengths in solution: A(nother) benchmark study

10.26434/chemrxiv-2025-lh9qb

Posted

Jan 17, 2025

Minlong Wang, Jiaman Hou, Lingxia Chen, Xinshu Qin, Xuan Li, Ruoqing Peng, Lin Li, Chao Wang, Xiaohe Zhang, Jie An

Switchable SuFEx linker chemistry for efficient coupling of alcohols, thiols, and selenols with O-/N-nucleophiles

10.26434/chemrxiv-2025-41b4m

Posted

Jan 17, 2025

Ribal Jabbour, Zeba Qadri, P K Madhu, Asif Equbal

Heteronuclear Spin Decoupling under Cryogenic Magic-Angle-Spinning Dynamic Nuclear Polarization Conditions

10.26434/chemrxiv-2025-tmb5b

Posted

Jan 17, 2025

Cunluo Wu, Xinyuan Song, Qingqing Han, Ronglin Zhong, Xiaowu Wang, Zhibo Li, Yiliu Liu

Evolving Cyclopropenium Derivatives into High-Performance Bifunctional Organocatalysts towards Ring-Opening Alternating Copolymerization

10.26434/chemrxiv-2025-30hgs

Posted

Jan 17, 2025

Mohammed Bin Jassar, Simone Pezzotti

On the Origin of Amphiphilic Interfaces

10.26434/chemrxiv-2025-g6b98

Posted

Jan 17, 2025

Dzmitry Kharytonau, Maria Osipenko, Jacek Ryl, Janusz Adamiec, Grzegorz Mordarski, Viktoryia Chaprasava, Konrad Skowron, Irina Kurilo, Nils Almqvist

Effect of Permanganate Ions on Corrosion Inhibition of Mg-Al-Mn Alloys Containing Different Amounts of Li

10.26434/chemrxiv-2025-0lmpx

Posted

Jan 17, 2025

Ramdeep Shrestha, Bhanu Bhakta Neupane, Basant Giri

Affordable Arsenic Detection Device Using Handmade Lokta Paper for Decentralized and Sustainable Manufacturing

10.26434/chemrxiv-2025-xsxgn

Posted

Jan 17, 2025

Mateusz P. Sowiński, Elena M. Mocanu, Hannah Ruskin-Dodd, Aidan P. McKay, David B. Cordes, Janet E. Lovett, Marius Haugland-Grange

Sigmatropic rearrangement enables access to a highly stable spirocyclic nitroxide for protein spin labelling

10.26434/chemrxiv-2025-g4kjr

Posted

Jan 17, 2025

Sijing Zhang, Jingxiang Wang, Dewen Su, Xiao Xiao

Facile visible-light upcycling of diverse waste plastics using a single organocatalyst with minimal loadings

10.26434/chemrxiv-2025-73g4m

Posted

Jan 17, 2025

Hadar Shaked, Iryna Polishchuk, Niv Ben-Arie, Daniela Dobrynin, Javier Gainza, Alexander Katsman, Boaz Pokroy

“Writing” Crystal Phases in Amorphous Calcium Carbonate via Bio-Inspired Laser-Induced Patterned Transformations

10.26434/chemrxiv-2025-j7f10

Posted

Jan 17, 2025

Justin Wang, Eris Villalona, Robert Knowles

Photocatalyst-Dependent Enantioselectivity in the Light-Driven Deracemization of Cyclic α-Aryl Ketones

10.26434/chemrxiv-2025-9qsq1

Posted

Jan 17, 2025

Mirela Puleva, Leonardo Medrano Sandonas, Balázs Lőrincz, Jorge Charry, David M. Rogers, Péter R. Nagy, Alexandre Tkatchenko

Extending quantum-mechanical benchmark accuracy to biological ligand-pocket interactions

10.26434/chemrxiv-2025-f6615

Posted

Jan 17, 2025

İrem Şimşek, Farsheed Shahbazi-Raz, Michael J. Krause, Azam Mohammadzadeh, Maryam Kosar, Peihan Xu, Samra Khan, Olena Tykhoniuk, Ashley DaDalt, Deya'a Almasri, Lara K. Watanabe, Kaitlyn Breault, John J. Hayward, Fraser S. Pick, Richard L. Ho, Jeremy M. Rawson, John F. Trant

A tale of two mechanisms: The p53 modulator COTI-2 is a Zn metallochaperone

10.26434/chemrxiv-2025-ffb6q

Posted

Jan 17, 2025

Xinyi Fang, Elizabeth Murphy, Phillip Kohl, Youli Li, Craig Hawker, Christopher Bates, Mengyang Gu

Universal Phase Identification of Block Copolymers from Physics-informed Machine Learning

10.26434/chemrxiv-2024-9zjt0-v2

Posted

Jan 17, 2025

Dimitri Zenghelis, Andrea Costa-Allendes, Sam Stephenson, Chloe Nemo Ramirez, Will Wale, Harriet Hunnable

Is reaching net zero a growth and prosperity plan? Economics, tools and actions for a rapidly changing world

Posted

Jan 17, 2025

10.33774/coe-2025-bfmg5

Mostafa Radwan, Elisa Garcia Carvajal, Christopher Cairo

Improved C5-amide bioisosteres for human neuraminidase 1 inhibitors based on 2-deoxy-2,3-didehydro-N-acetyl neuraminic acid (DANA)

10.26434/chemrxiv-2025-ll8zq

Posted

Jan 17, 2025

Siqin Cao, Feliks Nüske, Bojun Liu, Micheline Soley, Xuhui Huang

AMUSET-TICA: A Tensor-Based Approach for Identifying Slow Collective Variables in Biomolecular Dynamics

10.26434/chemrxiv-2025-x8vwp

Posted

Jan 17, 2025

Ting Qin, Aparna Chandrasekaran, Oran Maguire, Jack Hoffman, Jason Shiers, Tarun Jain, Colin Sambrook Smith

Empowering scientists: delivering AI tools through an ELN framework at the enterprise level

10.26434/chemrxiv-2025-6xg5d

Posted

Jan 17, 2025

Fernando Fajardo-Rojas, Ryther Anderson, Mingwei Li, Remco Chang, Diego Gomez-Gualdron

Data-driven Insights on the Impact of Functionalization on Metal-Organic Framework (MOF) Free Energies

10.26434/chemrxiv-2025-0z4tp

Posted

Jan 17, 2025

Brenda de Souza Ferrari, Ronaldo Giro, Mathias Steiner

HTA - An open-source software for assigning heads and tails to SMILES in polymerization reactions

10.26434/chemrxiv-2025-7n07q

Posted

Jan 17, 2025

Marvellous Eyube, Courage Enuesueke, Marvellous Alimikhena

The Future of Nanomaterials in Manufacturing

10.26434/chemrxiv-2025-mlb2w

Posted

Jan 17, 2025

Lane Terry, Madison Foreman, J. Mathias WEBER

Isomerism and Solvent Interaction in Octamethyl Calix[4]pyrrole Complexed with Formate

10.26434/chemrxiv-2025-q4t58

Posted

Jan 17, 2025

Kentarou Fuku, Takefumi Yoshida

Unsupervised machine learning-based image recognition of raw IR spectra: Toward chemist-like chemical structural classification and beyond numerical data

10.26434/chemrxiv-2024-p6d7s-v5

Posted

Jan 17, 2025

Alixandre Magerat, Sophie Hermans, Eric Gaigneaux

A novel versatile platform as efficient deoxydehydration (DODH) catalysts: Keggin polyoxometalates

10.26434/chemrxiv-2024-23d4q-v2

Posted

Jan 17, 2025

George Creasey, Tristan McCallum, Guangrui Ai, Brian Tam, John Wilman Rodriguez Acosta, Alvia Mohammad Yousuf, Sarah Fearn, Andreas Kafizas, Anna Hankin

Mechanically and photoelectrochemically stable WO3 | BiVO4 | NiFeOOH photoanodes synthesised by a scalable chemical vapour deposition method

10.26434/chemrxiv-2025-qblz5-v2

Posted

Jan 17, 2025

Katharina Kodolitsch, Ana Torvisco, Tomas Kamencek, Matjaz Mazaj, Egbert Zojer, Christian Slugovc

Zinc(II) coordination polymers with 3-(1H-imidazol-1-yl)propanoate linkers

10.26434/chemrxiv-2024-scjdm-v2

Posted

Jan 17, 2025

Akanksha Dhayal, Mohammed Suhail, Sivakumar Subramanian, Venkataramana Runkana

Modeling of cement clinker production in a rotary kiln incorporating melting and aggregation of particles

10.26434/chemrxiv-2025-mzjd7

Posted

Jan 17, 2025

Steven Sittel, Julian Neuner, Jonas Grenz, Christoph Förster, Robert Naumann, Katja Heinze

Gram-Scale Photocatalysis with a Stable and Recyclable Chromium(III) Photocatalyst in Acetonitrile and in Water

10.26434/chemrxiv-2025-3z24j

Posted

Jan 17, 2025

Chuanyu Hou, Changming Ke, Runze Chen, Yangfan Lin, Qin Huang, Jianhui Wang

Methylurea-Regulated Low-Concentration (2.6m) Electrolytes for High-Voltage Aqueous Lithium-Ion Pouch Cells Using NbO2 Anodes

10.26434/chemrxiv-2025-961bt

Posted

Jan 17, 2025

Woo Je Chang, Benjamin Roman, Tanay Paul, Zarko Sakotic, Priyansh Vora, Kihoon Kim, Daniel Wasserman, Thomas Truskett, Delia Milliron

Ultrastrong Coupling by Assembling Plasmonic Metal Oxide Nanocrystals in Open Cavities

10.26434/chemrxiv-2025-rnbdx

Posted

Jan 17, 2025

Krzysztof Górski, Łukasz W. Ciszewski, Antoni Wrzosek, Adam Szewczyk, Andrzej L. Sobolewski, Daniel T. Gryko

An Efficient Method for the Programmed Synthesis of π-Expanded Phosphonium and Arsonium Salts

10.26434/chemrxiv-2025-whg34

Posted

Jan 17, 2025

Mohammad Zafar, Donia Shamali, Nitsan Barel, David Danovich, Yuri Tulchinsky

Bicyclic Sulfonium Pincer Ligand with a Thiatriptycenium Backbone - Synthesis and Applications in π-Acid Catalysis

10.26434/chemrxiv-2025-1vrmv

Posted

Jan 17, 2025

Anushree Dutta, Alex Iglesias-Reguant, Josep M. Luis, Ramprasad Misra, Nabanita Deb

Tailoring Spectral Response and First Hyperpolarizability of Aryl-Substituted BODIPY-based 'Push-Pull’ Chromophores: Influence of Medium and Structural Modifications

10.26434/chemrxiv-2025-57jk1

Posted

Jan 17, 2025

Xiang Sun, Kai Wu, Paula Teeuwen, Philipp Pracht, David Wales, Jonathan Nitschke

Proton-driven lithium separation using alkali-templated coordination cages

10.26434/chemrxiv-2025-j8t2v

Posted

Jan 17, 2025

Vysakh Venugopalan Nair, Esackraj Karthikraja, Venkatesan Subramanian, Sekar Govindasamy

Enantioselective domino carbopalladation/Csp3-Pd capture using carbenes generated from N-tosylhydrazones: Access to chiral 3,3-disubstituted oxindoles bearing chiral quaternary carbon center

10.26434/chemrxiv-2025-jr7qk

Posted

Jan 17, 2025

Amaury Kasprowiak, Pierre Kulinski, Cindy Depecker, Francine Cazier-Dennin, Pierre-Edouard Danjou

From Accident to Improvement: A Case Study of Nitric Acid Splashing into Eyes During a Teaching Lab

10.26434/chemrxiv-2025-bvczc

Posted

Jan 17, 2025

Joseph Openy, Sabela Vega-Ces, Gulshan Amrahova, Emeline Mestdach, Celestine Chi, Benjamin Kissel, Peter 't Hart

Single atom substitutions in backbone aromatic groups alter membrane permeability and biological activity of cyclic peptides

10.26434/chemrxiv-2025-pb6d3

Posted

Jan 17, 2025

Shiksha Deswal, Rohan Chandra Das, Deeptanu Sarkar, A T Biju

Simultaneous Activation of Bicyclobutanes and Indolyl Alcohols Using HFIP: Access to Indole-Fused Bicyclo[3.1.1]heptanes

10.26434/chemrxiv-2025-s0j6x

Posted

Jan 17, 2025

Jia-Wen Zhang, Hongli Wu, Di Shen, Rong-Kai Wu, Zi-Chao Wang, Xin Hong, Shi-Liang Shi

Enantioconvergent Negishi Cross-Coupling of Racemic sec-Alkylzinc Reagent with Aryl Halides Enabled by Bulky N-Heterocyclic CarbenePd Catalyst

10.26434/chemrxiv-2025-t4nr1

Posted

Jan 17, 2025

Helena Brinkmann, Antoine Argante, Hugo ter Steege, Francesca Grisoni

Going beyond SMILES enumeration for generative deep learning in low data regimes

10.26434/chemrxiv-2025-fdnnq

Posted

Jan 17, 2025

Bryan Parnitzke, Ethan Gerhardt, Remy Lalisse, Tapas Maity, Zi Xuan, Yaning Liu, Osvaldo Gutierrez, Joseph Derosa

A Voltage-Controlled Redox Mediator Strategy Enables Electrocatalytic Z-Selective Semi-Hydrogenation

10.26434/chemrxiv-2025-4wv5d

Posted

Jan 17, 2025

Patrick Ganswindt, Isabella Tepfenhart, Andreas Singldinger, Anna Abfalterer, Laura Spies, Ekaterina Kostyurina, Mareike Stadler, Bert Nickel, Alexander S. Urban

Stable Multi-Emitter All-Lead Halide Perovskite Nanocrystal Film via Cross-linking of Nanocrystal-Templating Polymer Shells

10.26434/chemrxiv-2025-34s48

Posted

Jan 17, 2025

Stephen J Turrell, Yi Liang, Tiancheng Cai, Ben Jagger, Mauro Pasta

On the origin of stability in the Li-LiPON solid electrolyte interphase

10.26434/chemrxiv-2025-2l3xh

Posted

Jan 17, 2025

Jean-Noël Chotard, Nikhil Subash, Amna Rafique, Loic Dupont, Pierre-Etienne Cabelguen, François Fauth, Christian Masquelier

Niobium Bronzoids as negative Electrodes: Synthesis, Structure and Electrochemical Properties of Li2Nb4P2O16 and Na2Nb4P2O16

10.26434/chemrxiv-2025-g9rr3

Posted

Jan 17, 2025

Michał Wrzecionek, Bartłomiej Kryszak, Agnieszka Gadomska-Gajadhur

The smart way of simultaneous scaling up and optimizing the synthesis of PGS for further rapid thermal cross-linking with the use of response surface methodology

10.26434/chemrxiv-2025-fdcmb

Posted

Jan 17, 2025

Yuchong Yang, Tanya K. Ronson, Paula C.P. Teeuwen, Simone Zucchelli, Andrew W. Heard, Paola Posocco, David J. Wales, Jonathan R. Nitschke

Knotting a tetrahedral cage mechanically locks guests inside

10.26434/chemrxiv-2025-njv4t

Posted

Jan 17, 2025

Cesare Gallizioli, Peter Deglmann, Alex Plajer

Kinetically Enhanced Access to a Dynamic Polyester Platform via Sequence Selective Terpolymerisation of Elemental Sulfur Waste

10.26434/chemrxiv-2025-csb8c

Posted

Jan 17, 2025

TANMAY DAS, MRITTIKA MOHAR

Reinvestigating the mechanism of acid-catalyzed cyclization of alkyl biphenyl-2-carboxylate

10.26434/chemrxiv-2025-bgzrx

Posted

Jan 17, 2025

Yonatan Harnik, Hadas Shalit Peleg, Amit Bermano, Anat Milo

Data Efficient Molecular Image Representation Learning using Foundation Models

10.26434/chemrxiv-2025-2htdh

Posted

Jan 17, 2025

Sohel Reja, Sukumaran Vasudevan

Simple, scalable production of ricinoleic acid-functionalized superparamagnetic nanoparticles, size- and shape-tunable, hydrophobic and hydrophilic

10.26434/chemrxiv-2025-vhjcz

Posted

Jan 17, 2025

Ka Zeng, Damian Raess, Paul Musgrave

U.S. Public Opinion and Government Regulation of Foreign Social Media Apps: A “Hidden Consensus” About What to Ban?

Posted

Jan 17, 2025

10.33774/apsa-2025-ssz5q

Katherine Knutson, Rachel Flynn

What Am I Reading? How Teaching Genre Improves Civic Skills

Posted

Jan 17, 2025

10.33774/apsa-2025-kmqt4

Wenzhen Fu, An Liu, Yang Yang

Diastereo- and Enantioselective Chemoenzymatic Synthesis of Chiral Tricyclic Intermediate of Anti-HIV Drug Lenacapavir

Version undefined posted 18 January 2025

Posted

Jan 18, 2025

10.26434/chemrxiv-2025-w7q5k

Lei Cheng, Zhiyu Bo, Benjamin Krohn-Hansen, Yang Yang

Directed Evolution and Unusual Protonation Mechanism of Pyridoxal Radical C–C Coupling Enzymes for the Enantiodivergent Photobiocatalytic Synthesis of Non-Canonical Amino Acids

Version undefined posted 18 January 2025

Posted

Jan 18, 2025

10.26434/chemrxiv-2025-32vjk

Qi-Xiang Zeng, Cheng-Yu Zheng, Zhan-Peng Ge, Jin-Xin Zhao, Jian-Min Yue

Visible-Light-Mediated Site-Selective C(sp2)–H Alkylation of Tropones Enables Semi-Synthesis of Cephafortunoids A and B and a Reconsideration of Their Biosynthesis

10.26434/chemrxiv-2025-85wlg

Posted

Jan 20, 2025

David Beyer, Pablo M. Blanco, Jonas Landsgesell, Peter Kosovan, Christian Holm

How to Correct Erroneous Symmetry-Breaking in Coarse-Grained Constant-pH Simulations

10.26434/chemrxiv-2024-d4dbh-v4

Posted

Jan 20, 2025

Keigo Matsuyama, Limi Chen, Kohei Aso, Kaito Kanahashi, Kosuke Nagashio, Yoshifumi Oshima, Daisuke Kiriya

Phase engineering of 1T′-MoS2 via organic enwrapment

10.26434/chemrxiv-2025-r709q

Posted

Jan 20, 2025

Naoto Sahara, Yoichi Hirano, Thien Phuc Le, Katsuya Yamakawa, Eisaku Ohashi, Satoru Shibuya, Kazuo Komano, Kiichiro Hirai, Moriyasu Masui, Go Kato, Takafumi Higuchi, Yuto Shimazaki, Takahiro Kawajiri, Tadashi Oohara, Naoki Tsuno, Takafumi Ohara

Development of a Manufacturing Process for S-892216 Part I: A Novel Method for Constructing a Multi-Substituted Barbiturate Skeleton for Scalable Synthesis

10.26434/chemrxiv-2025-sdmw6

Posted

Jan 20, 2025

Thien Phuc Le, Takahiro Kawajiri, Naoto Sahara, Go Kato, Masahiro Hosoya, Tadashi Oohara, Kazushi Agura, Takafumi Ohara, Satoshi Goda

Development of a Manufacturing Process for S-892216 Part II: Improvements Toward Commercially Feasible Process

10.26434/chemrxiv-2025-0wdzt

Posted

Jan 20, 2025

Nadezhda Frolova, Anastasia Orlova, Veronika Popova, Tatiana Bilova, Andrej Frolov

GC-MS-based metabolomics – Part 1 Gas chromatography-mass spectrometry (GC-MS) and its place in the plant metabolomics toolbox

10.26434/chemrxiv-2025-5kgvt

Posted

Jan 20, 2025

Lucy L. Fillbrook, Isis A. Middleton, Hamid Rashidnejad, Aditya Sapre, Ayusman Sen, Jonathon Beves, Timothy Schmidt

Ionic gradients in flow to control the transport of emissive ions

10.26434/chemrxiv-2024-tvmn2-v3

Posted

Jan 20, 2025

Emily Milan, James A. Quirk, Kenjiro Hashi, John Cattermull, Andrew L. Goodwin, James Dawson, Mauro Pasta

Filling the gaps in the LiBr-LiOH phase diagram: a study on the high-temperature Li3(OH)2Br phase

10.26434/chemrxiv-2025-m7mv6-v2

Posted

Jan 20, 2025

Xinqi Li, Sergio Pascual-Diaz, Calum Hand, Rory Garland, Waseem Abbas, Faiz Mohammad Khan, Nikhil Mohan Das, Vedant Desai, Mohamed AbouZleikha, Matthew Clark

Scalable Drug Property Prediction via Automated Machine Learning

10.26434/chemrxiv-2025-2p12l-v2

Posted

Jan 20, 2025

Carmen González-González, Roi Lopez-Blanco, Juan A. González-Vera, Sara D’Ingiullo, David Bouzada, Manuel Melle-Franco, Angel Orte, M. Eugenio Vazquez

Non-Aromatic Fluorescence from Single α-Helical Peptides

10.26434/chemrxiv-2024-d2455-v2

Posted

Jan 20, 2025

Improving Drug-Induced Liver Injury Prediction Using Graph Neural Networks with Augmented Graph Features from Molecular Optimisation

Taeyeub Lee, Joram Posma

10.26434/chemrxiv-2024-d12gk-v2

Posted

Jan 20, 2025

Ethan Calder, Isobel Hawes, Andrew Jupp

Dual-responsive phosphorus-based fluorescent sensors: synthesis and selective metal sensing of pyrazolyl phosphine oxides

10.26434/chemrxiv-2025-0bgh3-v2

Posted

Jan 20, 2025

Rohit Ghanta, George Papakonstantopoulos, Jan Domurath, Patrycja Polińska, Craig Burkhart, Vagelis Harmandaris, Manolis Doxastakis

Crosslinked polyisoprene networks: linker architecture and elastomer properties

10.26434/chemrxiv-2024-qrxg7-v2

Posted

Jan 20, 2025

Jojo Rodrigues, Conor O'Hara, Maria Roméria da Silva, Leandro Licursi de Oliveira, Jener Alexandre Sampaio Zuanon, Tiago Antônio de Oliveira Mendes, Sheiliza Carmali

Formulation development of nanostructured lipid carriers for oral delivery of recombinant protein-based vaccine antigens in aquatic species

10.26434/chemrxiv-2025-5j2nf

Posted

Jan 20, 2025

Takumi Saito, Ippei Maruyama, Yuya Suda, Atsushi Teramoto, Ryoma Kitagaki, Takahiro Ohkubo

Unveiling the Formation Pathway of Vaterite from Amorphous Calcium Carbonate Using Metadynamics Simulations

10.26434/chemrxiv-2025-pxt17

Posted

Jan 20, 2025

Bartomeu Galmés, Manel Vega, Fatima Amine, Atonio Costa, Carmen Rotger, Luis Martínez-Crespo

Fast photo-deactivation of chloride transport and cytotoxicity mediated by squaramides

10.26434/chemrxiv-2025-7z8s7

Posted

Jan 20, 2025

Romain Giraud, J.C. Yves Le Blanc, Mircea Guna, Gérard Hopfgartner

Enhanced Pesticide Screening in Wines and Juices by Column-Switching Liquid Chromatography-Tandem Mass Spectrometry Using Multiple Activation Methods

10.26434/chemrxiv-2025-mtlpf

Posted

Jan 20, 2025

A REVIEW ON APPLICATIONS AND PREPARATION METHODS USED FOR THE DEVELOPMENT OF CURCUMIN NANOPARTICLE

VARUN MALI

10.26434/chemrxiv-2025-lvhh3

Posted

Jan 20, 2025

Hossein Vahid, Arsalan Hashemi, Mohammad Khavani, Abhinav Sharma, Mohammad Reza Kaazempur Mofrad, Tapio Ala-Nissila

Block Ratio Optimized Cationic Polyacrylamides for Enhanced Nitrate Rejection Under Applied Potential

10.26434/chemrxiv-2025-tngqp

Posted

Jan 20, 2025

Lea Hämmerling, David Hall, Eliott Blin, Tabea Heil, Eli Zysman-Colman

DiICz MR-TADF Emitters as Energy Transfer Photocatalysts

10.26434/chemrxiv-2025-gfx9c

Posted

Jan 20, 2025

José del Refugio Monroy, Joel Schlecht, Clara Douglas, Robbie Stirling, Glen Smales, Zdravko Kochovski, Oliver Dumele

Homochiral versus Racemic 2D Covalent Organic Frameworks

10.26434/chemrxiv-2025-xt9vs

Posted

Jan 20, 2025

Marcus Sharp, Hoan Nguyen, Christopher Lee, Eric Sauter, Yuemin Wang, Christof Wöll, Benjamin Jackson, Mal Soon Lee, Bruce Kay, Simone Raugei, Liney Arnadottir, Zdenek Dohnálek

The Role of Surface Hydroxyls in Dehydration and Dehydrogenation of Formic Acid on Fe3O4(001)

10.26434/chemrxiv-2025-gd26j

Posted

Jan 20, 2025

Nathalia Rosa, Itamar Borges Jr

Review on the DFT Computation of Bulk Heterojunction and Dye-sensitized Organic Solar Cells Properties

10.26434/chemrxiv-2024-6389c-v2

Posted

Jan 20, 2025

Sangram Prusty, Rafael Bruschweiler, Qiang Cui

Comparative analysis of Im7 dynamics with polarizable and non-polarizable CHARMM family of force fields

10.26434/chemrxiv-2025-c4515

Posted

Jan 20, 2025

Leonardo da Silva Garcia Leite, Aurora Clark

Meta-analysis of Stoichiometric Changes Before and After the Critical Micelle Concentration Within Lanthanide Solvent Extraction

10.26434/chemrxiv-2025-1nr6z

Posted

Jan 20, 2025

John Porco, Ryan Baker, Kyle Reichl, Michael Smith, Michael Ricca, Margaret Ann Mickelberg

Substrate- and Reagent-Controlled Dimerization of Vinyl para-Quinone Methides

10.26434/chemrxiv-2025-m6f1l

Posted

Jan 20, 2025

Carlos Martínez-Ceberio, Francisco José Fernández–de–Córdova, Orestes Rivada-Wheelaghan

Synthesis and Characterization of Bimetallic Copper (I) Complexes Supported by a Hexadentate Naphthyridine-Based Macrocycle Ligand

10.26434/chemrxiv-2025-d77dr

Posted

Jan 20, 2025

Protyush Sahu, Yun-yu Wang, Madhana Sunder, Silvia Borsari

Electron Holography Characterization of Epitaxial Si(P+)/Si(B-) Substrate Structures

10.26434/chemrxiv-2025-qhljh

Posted

Jan 20, 2025

Damilola Bodun, Isiaka Ibrahim, Mujeebat Bashiru, Rachael Oluwakamiye Abolade, Wilberforce K. Ndarawit, Adedoyin John-Joy Owolade, Temitope Adegbenro, John Somtochukwu Ibeh, Ezekiel Abiola Olugbogi, Katukoliya Gamage Anuththara Samadhi, Gbolahan Oduselu, Suliman Sharif, Damilola Alex Omoboyowa, Olayinka O. Ajani

De Novo Design and Bioactivity Prediction of Mitotic Kinesin Eg5 Inhibitors Using MPNN and LSTM-Based Transfer Learning

10.26434/chemrxiv-2025-7xcq2

Posted

Jan 20, 2025

Nils Bäumer, Soichiro Ogi, Shigehiro Yamaguchi

Elucidating the Boundary of Intercalation vs. Sequestration in Supramolecular Polymers by Retrosynthetic Design Towards the Construction of Complex Supramolecular Systems

10.26434/chemrxiv-2025-jhhxw

Posted

Jan 20, 2025

Mayo Hamada, Suguru Yoshida

Conditional Fluorescent Changes of Azaylides with Fluorescent Chromophores

10.26434/chemrxiv-2025-lrlq2

Posted

Jan 21, 2025

Vikas Tiwari, Dr. Tarak Karmakar

Understanding the Mechanism of Nanocluster Formation from Machine-Learned Potential-based Simulations

10.26434/chemrxiv-2025-rkv0g

Posted

Jan 21, 2025

Honglu Huang, Hongjie Liu, Feichen Cui, Zixiao Wang, Yang Sui, Xin Liu, Yunhao Yao, Jiajun Yan

Water-Degradable and Environmentally Responsive Mannich-Type Network

10.26434/chemrxiv-2025-fqt09

Posted

Jan 21, 2025

Carmen González-González, Laura Martínez-Castro, Soraya Learte-Aymamí, Clara Pose-Insua, José R. Couceiro, Pau Martin-Malpartida, Maria J. Macias, Jean-Didier Maréchal, José L. mascareñas, M. Eugenio Vazquez

Streamlined Identification of Metallopeptides for Intracellular Catalysis Using Positionally-Addressable Combinatorial Libraries

10.26434/chemrxiv-2025-27pzn

Posted

Jan 21, 2025

Javier F. Reynes, Lucía Álvarez-Miguel, Frederik Winkelmann, Michael Felderhoff, Marta E G. Mosquera, Christopher J. Whiteoak, Felipe Garcia

Scalable Main Group Mechanocatalytic CO2 Valorisation to Cyclocarbonate Species

10.26434/chemrxiv-2025-d0b12

Posted

Jan 21, 2025

Kalyana B. Duggal, Emmanuel Moya Cruz, Adriana L. Jemison, Yaning Liu, Grace O. DeCostanza, Cameron B. Berlin, Paige E. Piszel, Weihao Zhu, Madeline E. Rotella, Marisa C. Kozlowski

Using Yield Fingerprints to Study Reaction Mechanism

10.26434/chemrxiv-2025-mtljf

Posted

Jan 21, 2025

Qishen Huang, Kiran Pitta, Andreas Zuend, Miriam Freedman

Predicting Liquid-Liquid Phase Separation of Submicron Proxies for Atmospheric Secondary Aerosol

10.26434/chemrxiv-2024-4rh6c-v2

Posted

Jan 21, 2025

Ugo Gilbert, Xiao Mu, Yan Yu Sarah Lam, Gaël De Leener, Maëlle Bottin, Koen Robeyns, Michel Luhmer, Raphaël Robiette, Michael Singleton

Influence of imidazole functionalization on the properties of small molecule models of the LPMO active site

10.26434/chemrxiv-2024-20zjq-v2

Posted

Jan 21, 2025

Priyakumari Chakkingal Parambil, Gaurav Jhaa, Mithu Kumari

In pursuit of understanding metavalency

10.26434/chemrxiv-2025-8856v-v2

Posted

Jan 21, 2025

Francesca Robertson, Glenieliz Dizon, Anthony Fitzpatrick

Environmental Control of Spin State Through Solution Aggregation

10.26434/chemrxiv-2025-5brgq

Posted

Jan 21, 2025

Volodymyr Kaplunenko, Mykola Kosinov

THE UNIVERSAL LAW OF CATALYSIS

Posted

Jan 21, 2025

10.33774/coe-2025-8cps4

Volodymyr Kaplunenko, Mykola Kosinov

THE CONCEPT OF "ELECTRON AS A CATALYST" IS THE KEY TO UNLOCKING THE SECRETS OF CATALYSIS

Posted

Jan 21, 2025

10.33774/coe-2025-t7qx4

Volodymyr Kaplunenko, Mykola Kosinov

ELECTRIC FIELD - INDUCED CATALYSIS. LAWS OF FIELD CATALYSIS

Posted

Jan 21, 2025

10.33774/coe-2025-2dw3r

Disorder vs. order: the common features in the spectroscopic analyses of diverse melanin materials

Koen Vercruysse

10.26434/chemrxiv-2025-kcqbz

Posted

Jan 21, 2025

The General Constraining Arguments of Artificial General Intelligence and the Prospects of Robust Alignment

Serge Dolgikh

Posted

Jan 21, 2025

10.33774/coe-2025-4b4hl

lin kong, Wei He, Zhen Zhao, Ben Zhong Tang, Rui Zhang, Fen Zhao

Exploring reactive oxygen species dynamics in pea germination to improve variety selection in stressful environments

10.26434/chemrxiv-2025-hdqz8

Posted

Jan 21, 2025

Siwei Zhang, Jinjin Wang, Jinhui Jiang, Fulong Ma, Yifan Wang, Xinmeng Chen, Ryan KWOK, zheng Zhao, Jacky Lam, Ben Zhong Tang

Illuminating Lead Coordination in Perovskite Precursors via Fluorescence Spectroscopy

10.26434/chemrxiv-2025-mtbzl

Posted

Jan 21, 2025

Marisol Alvarado, Lauren Tran, Bo Li, Clovis Darrigan, Hugues Preud'homme, Anna Chrostowska, Shih-Yuan Liu

A Nitrilium-Type N-Heterocyclic Aryne

10.26434/chemrxiv-2025-96ddg

Posted

Jan 21, 2025

Alexandra Deal, Franky Bernal, Andreas Siebert, Alexander Prophet, Mauricio Lopez Luna, Monika Blum, Richard Saykally, Kevin Wilson

The Role of the Droplet Interface in Controlling the Multiphase Oxidation of Thiosulfate by Ozone

10.26434/chemrxiv-2025-p234l

Posted

Jan 21, 2025

Prasun Mukherjee, Zayed Alassad, Todd Hyster

Synergistic Photoenzymatic Anti-Markovnikov Hydroaryla-tion of Olefins via Heteroaryl Radical Intermediates

10.26434/chemrxiv-2025-xp59w

Posted

Jan 21, 2025

Xinzhe Chen, Wei Sun, Yongjin Wang, Kehui Pang, Yuquan Liu, Min Wang, Qingzhao Chu, Dongping Chen

Revealing reaction kinetics in ammonium perchlorate (AP) combustion using an EM-HyChem approach

10.26434/chemrxiv-2025-bb8dr

Posted

Jan 21, 2025

Soumya Mondal, Dr. Tarak Karmakar

Unveiling Interactions of Peptide-bound Monolayer Protected Metal Nanocluster with Lipid Bilayer

10.26434/chemrxiv-2025-f009l

Posted

Jan 21, 2025

Dimitris Ioannou, Elena Bombonato, Jiri Sanramat, Joost Reek, Timothy Noel

Oxidant-Free Amidation of Aldehydes Enabled by Electrophotocatalysis

10.26434/chemrxiv-2025-v1jd8

Posted

Jan 21, 2025

Oleksii Shamrai, Ievgenii Iermolenko, Eugeniy Ostapchuk, Dmytro Leha, Evgenij Zarudnitskii, Serhiy Ryabukhin, Dmytro Volochnyuk

Shackles Off: A Kilo Scale Synthesis of Rawal’s Diene

10.26434/chemrxiv-2025-rzg0w

Posted

Jan 21, 2025

Zhendong Li, Lei Zheng, Yuqing Yang, Xiaohui Wang, Zhaoxi Sun, John Zeng Hui Zhang

dMSGB-IE: Computational Mutational Scanning for (de)Methylation Thermodynamics

10.26434/chemrxiv-2025-4lskc

Posted

Jan 21, 2025

Danial Muhammad, Wei Xia, Musheng Wang, Zhaoxi Sun, John Z. H. Zhang

Molecular Glue-Augmented E2-Ubiquitin Recognition from A Computational Approach

10.26434/chemrxiv-2025-p0rj1

Posted

Jan 21, 2025

Jingxiang Wang, Yuka Yasuda, Yongxia Ren, Ryo Kondo, David Cordes, Hironori Kaji, Eli Zysman-Colman

A Multi-Resonant Thermally Activated Delayed Fluorescence Emitter with a Twisted Second-Generation Carbazole Dendron Showing Suppressed Concentration Quenching and Its Use in Solution-Processed Organic Light-Emitting Diodes

10.26434/chemrxiv-2025-5cfr0

Posted

Jan 21, 2025

Growth Kinetics of Single–Crystals of Spinel in Slag

Jaysree Pan

10.26434/chemrxiv-2025-jsw03

Posted

Jan 21, 2025

Ryusei Oketani, Musashi Okada, Kentaro Takaji, Hajime Shigemitsu, Toshiyuki Kida, Takuya Nakashima, Ichiro Hisaki

Spontaneous chiral symmetry breaking in a single crystal

10.26434/chemrxiv-2025-2cb9k

Posted

Jan 21, 2025

Hubert Hellwig, Loïc Bovy, Kristof Van Hecke, Cornelis Vlaar, Rodolfo Romañach, Md. Noor-E-Alam, Allan Myerson, Torsten Stelzer, Jean-Christophe Monbaliu

A continuous flow generator of acetyl nitrate for the synthesis of nitrofuran-based pharmaceuticals

10.26434/chemrxiv-2025-dsx17

Posted

Jan 21, 2025

Sathi Sahoo, TARUN KUMAR DINDA, Prasenjit Mal

Red-Light Driven Supramolecular Photocatalysis: Functionalization of Photoinert N-Propargyl amides to Substituted oxazole

10.26434/chemrxiv-2025-9m1g5

Posted

Jan 21, 2025

Emily Milan, James A. Quirk, John Cattermull, Andrew L. Goodwin, James A. Dawson, Mauro Pasta

Synthesis and characterisation of Li₄(OH)₃Br for thermal energy storage

10.26434/chemrxiv-2025-r1zlr

Posted

Jan 21, 2025

Nazim Pallab, Eric Sperlich, Matthias Schenderlein, Anne Krüger-Genge, Jinyuan Li, Lukas Zeininger, Zdeněk Tošner, Mariusz Uchman, Martin Reifarth

Microscale Tattooing of Hydrogels and Cells: Benzoxaborole-Driven Microcontact Printing (µCP) of Glycosylated Surfaces

10.26434/chemrxiv-2025-bm72c

Posted

Jan 21, 2025

Zong-Yi Zhang, Yu-Han Chen, Cheng-Yu Zheng, Yuan Gao, Yao-Yue Fan, Jian-Min Yue, Jin-Xin Zhao

Isolation and bioinspired synthesis of lauenones A and B, skeleton-rearranged diterpenoids with antiadipogenic activity from Croton laui

10.26434/chemrxiv-2025-cljhb

Posted

Jan 21, 2025

Nityananda Ballav, Chandan Kumar Giri, Shib Nath Saha, Manoj V. Mane, Mahiuddin Baidya

Empowering Diastereoselective Cyclopropanation of Unactivated Alkenes with Sulfur Ylides through Nucleopalladation

10.26434/chemrxiv-2025-wnp8t

Posted

Jan 21, 2025

Adam Šrut, Sinjini Bhattacharjee, Dimitrios A. Pantazis, Vera Krewald

Analyzing Spectral Distributions of Charge Transfer Character in Ensembles: A Case Study on the Reaction Center of Photosystem II

10.26434/chemrxiv-2025-vp17h

Posted

Jan 21, 2025

Mengru Li, Axel Groß, R. Juergen Behm

Proximity Effects in Electronic Metal-Support Interactions: O-Vacancy Formation and CO adsorption on Ru/ZrO2 Model Catalysts

10.26434/chemrxiv-2025-f9fdh

Posted

Jan 21, 2025

Sitting with Wickedness: Developing Emotional Competency In and Beyond University

Rebecca Tan

Posted

Jan 21, 2025

10.33774/apsa-2025-45b77

Psychology

Development and Validity of the Deenz Autism Spectrum Profile Assessment Scale (DASPAS-42)

Deen Mohd Dar

Posted

Jan 21, 2025

10.33774/coe-2025-6cmcz

Sampreeti Bhattacharya, Arkaprava Roy

A Look Into Solubility Variations Via a Novel Nonparametric Additive Characterization

10.26434/chemrxiv-2025-46nx1-v2

Posted

Jan 22, 2025

Norbert Flachbart, Róbert Onufrák, Gabriel Žoldák, Peter Ragan

Laser Cleaning Technologies in Industry: Mechanisms, Applications, and Future Directions for Sustainable Surface Treatment

10.26434/chemrxiv-2025-jv5b5

Posted

Jan 22, 2025

Deepti Sharan, Erin Carlson

Beta-Lactam Titration Assays to Evaluate Penicillin-Binding Protein Selectivity

10.26434/chemrxiv-2025-qb9jl

Posted

Jan 22, 2025

Cheng Deng, Ping Wang, Zihao Luo, Fangfang Zhang, Ding Chen, Yuanqiang Li, Lin Huang, Peng Yu

Functionalization of strained rings via nucleophilic catalysis

10.26434/chemrxiv-2025-592mb-v2

Posted

Jan 22, 2025

Chen-Hsun Hung, Jiun-Shian Shen, Tiow-gan Ong, Manman Zhu, Jia-Huei Luoh, Jie-Ting Fu, Chih-Wen Pao, Glenn P. A. Yap, Ping-Yu Chen, Lili Zhao Zhao, Ting-Hsuan Wang

Ni-catalyzed Heteroaryl C‒O Bond Arylation and Homocoupling via Controlled Metal−Ligand Redox Cooperativity

10.26434/chemrxiv-2025-pspxs-v2

Posted

Jan 22, 2025

Gavin Irvine, Konstantinos Myronidis, Fulvio Pinto, Maciej Kopeć

Highly Entangled Hydrogels by Photoiniferter-Mediated Polymerization

10.26434/chemrxiv-2024-9xqnn-v2

Posted

Jan 22, 2025

Mikhail N. Anisimov, Maksim A. Boichenko, Anton A. Sivachev, Alexey N. Romanov, Ilya A. Lifshits, Marina Janibekova, Vadim V. Mustyatsa, Julia N. Borzunova, Andrey Yu. Plodukhin, Vitaly V. Shorokhov, Victor A. Tafeenko, Ivan A. Andreev, Nina K. Ratmanova, Sergey S. Zhokhov, Olga I. Kechko, Alexander A. Makarov, Vladimir A. Mitkevich, Ivan A. Vorobjev, Igor V. Trushkov, Olga A. Ivanova, Nikita B. Gudimchuk

A coumarin-30-based method for identification of tubulin ligands with diverse binding sites

10.26434/chemrxiv-2025-dqlc5-v2

Posted

Jan 22, 2025

Omobayo Salawu, Ziwei Han, Naomi Senehi, Shannon Roback, Adeyemi Adeleye

Determination of household wastewater PFAS composition and concentrations via sub-sewershed analysis

10.26434/chemrxiv-2025-4g13w-v2

Posted

Jan 22, 2025

Huw Parks, Matthew Jones, Aaron Wade, Alice Llewellyn, Chun Tan, Hamish Reid, Ralf Ziesche, Thomas Heenan, Shashidhara Marathe, Christoph Rau, Paul Shearing, Rhodri Jervis

Non-Linear Damage Response to Voltage Revealed by Operando X-ray Tomography in Polycrystalline NMC811

10.26434/chemrxiv-2024-npkvm-v4

Posted

Jan 22, 2025

Aditya Chakrabarty, Ritwika Chatterjee, Santanu Mukherjee

Enantioselective Redox-Neutral Coupling of Allenylic Alcohols through Divergent Cooperative Catalysis

10.26434/chemrxiv-2025-fvz0q

Posted

Jan 22, 2025

Danny Thach, Robert Knowles

Exo-to-endo nitrogen transposition in saturated rings

10.26434/chemrxiv-2025-nlj7m

Posted

Jan 22, 2025

Cade MacAllister, Caitlin Lacker, Matthieu Maciejewski, Felix Wessels, Desiree Bates, Scott Bagley, Tehshik Yoon

Oxygen Migration into Carbon–Carbon Single Bonds by Photochemical Oxidation

10.26434/chemrxiv-2025-ssx6g

Posted

Jan 22, 2025

Elena Rebecca Cotroneo, Tat Cheung Cheng, Lukas Kaltschnee, Patrick Maibach, Moritz Engelke, Niklas Schwegler, Franziska Thomas, Christina M. Thiele, Nadja Simeth

A Photoswitchable Tryptophan Zipper – (Un)folding Fibrils in Seconds

10.26434/chemrxiv-2025-jclbt

Posted

Jan 22, 2025

Miki B. Kurosawa, Shuhei Shimoyama, Hiroki Tanaka, Kenta Kato, Junichiro Yamaguchi

Difluoroenol Phosphinates as Versatile Difluoroenolate Surrogates: Synthesis and Applications in Defluorination and Deoxygenative Coupling

10.26434/chemrxiv-2025-1rklr

Posted

Jan 22, 2025

Luc Bondaz, Anshaj Ronghe, K. Ganapathy Ayappa, Kumar Varoon Agrawal

Gated CO2 permeation across dynamic graphene pores

10.26434/chemrxiv-2025-1pjgf

Posted

Jan 22, 2025

Alex Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, Kevin Beck, Tathagata Biswas, Alexander Bonkowski, Joana Bustamante, Xin Chen, Yuan Chiang, Daryl Chrzan, Jacob Clary, Orion Cohen, Christina Ertural, Max Gallant, Janine George, Sophie Gerits, Rhys Goodall, Rishabh Guha, Geoffroy Hautier, Matthew Horton, Aaron Kaplan, Ryan Kingsbury, Matthew Kuner, Bryant Li, Xavier Linn, Matthew McDermott, Rohith Srinivaas Mohanakrishnan, Aakash Naik, Jeffrey Neaton, Kristin Persson, Guido Petretto, Thomas Purcell, Francesco Ricci, Benjamin Rich, Janosh Riebesell, Gian-Marco Rignanese, Andrew Rosen, Matthias Scheffler, Jonathan Schmidt, Jimmy-Xuan Shen, Andrei Sobolev, Ravishankar Sundararaman, Cooper Tezak, Victor Trinquet, Joel Varley, Derek Vigil-Fowler, Duo Wang, David Waroquiers, Mingjian Wen, Han Yang, Hui Zheng, Jiongzhi Zheng, Zhuoying Zhu, Anubhav Jain

Atomate2: Modular workflows for materials science

10.26434/chemrxiv-2025-tcr5h

Posted

Jan 22, 2025

Simone Baldon, Julien Paut, Elsa Anselmi, Guillaume Dagousset, Béatrice Tuccio, Sara Cuadros Huertas, Emmanuel Magnier, Luca Dell'Amico

Radical Photochemical Difluorosulfoximination of Alkenes and Propellanes

10.26434/chemrxiv-2025-1s88l

Posted

Jan 22, 2025

R Graham Cooks, Brison Shira

Serine Octamer Clusters Direct the Chirality of Peptides Formed in Water Microdroplets

10.26434/chemrxiv-2025-1s8h1

Posted

Jan 22, 2025

Ana Alcalde Ordóñez, Axel Sarmiento Fuentes, Jacobo Gómez González, Manuel Núñez Martínez, Manuel Fernández Míguez, Rafael Rodríguez Riego, Félix Freire Iribarne, M. Eugenio Vázquez Sentís, Miguel Vázquez López

Unlocking A New Biological Interface of Chiral Supramolecular Helical Polymers

10.26434/chemrxiv-2025-5jkhj

Posted

Jan 22, 2025

Emily Burke, Shay Heans Moreyra, Erin Welsh, Izabella Krug, Katherine Robertson, Alex Speed

One-Pot Synthesis of Alpha-Diimines from Alkylammonium Salts

10.26434/chemrxiv-2025-blb4g

Posted

Jan 22, 2025

Nikita Gupta, Haoran Jhu, Joseph O'Shea, A. Jean-Luc Ayitou, Russell J. Hemley, Tom G. Driver, Ksenija Glusac

Photochemistry of Hypervalent Iodo-azide Derivatives

10.26434/chemrxiv-2025-nl8ww

Posted

Jan 22, 2025

Xiaorui Zhao, Yinan Shu, Qinghui Meng, Jie J. Bao, Xuefei Xu, Donald Truhlar

Improvement of Fourteen Coupled Global Potential Energy Surfaces of 3A′ States of O + O2

10.26434/chemrxiv-2025-zlkz5

Posted

Jan 22, 2025

Henry White, Joshua Beeler, Rune Walkingshaw, Safiya Hamud

Reduction by Oxidation: Selective Hydrodehalogenation of Aryl Halides by Mediated Oxalate Oxidation

10.26434/chemrxiv-2025-hnmk3

Posted

Jan 22, 2025

Karen Hakobyan, Joel Yong, Jake Violi, Jiangtao Xu, Guangzhao Mao

Enhancing CNS drug delivery through direct conjugation of an A1 receptor antagonist to a retrograde transport protein

10.26434/chemrxiv-2025-1jkbb

Posted

Jan 22, 2025

Polina Avdiunina, Shamieraah Jamal, Filipp Gusev, Olexandr Isayev

All that glitters is not gold: Importance of rigorous evaluation of proteochemometric models

10.26434/chemrxiv-2025-vbmgc

Posted

Jan 22, 2025

Lars Schäfer, Lukas Stelzl

Deciphering Driving Forces of Biomolecular Phase Separation from Simulations

10.26434/chemrxiv-2025-3glrp

Posted

Jan 22, 2025

Clara Kjerfve, Joanna Kwao, Jasmine Glover, Bryson Wood, Christian Golden, Nicholas Truex

Access to Synthetic Fold-switching Proteins Using Automated Flow Chemistry

10.26434/chemrxiv-2025-9l2qz

Posted

Jan 22, 2025

Adèle Gapin, Elarbi Chatir, Olivier Aleveque, Clara Pasgrimaud, Arthur H. G. David, Anaïs De Maria, Mélanie Legros, Laura Le Bras, Eric Levillain, Antoine Goujon

Synthesis of Electron-Deficient BisAzaCoroneneDiimide Conjugated Polymers by Light-Freezing Dynamic Covalent Bonds

10.26434/chemrxiv-2025-5m3lf

Posted

Jan 22, 2025

Lianxin Wang, Yuanfei Xue, Jia-Ning Wang, Yan Mo, Ye Mei

Rational Enzyme Evolution by Facilitating Correlated Motion along the Reaction

10.26434/chemrxiv-2025-wl8h1

Posted

Jan 22, 2025

Parker Staub, Hannah Holst, Nitha Puthalath, Christopher Douglas

Chiral Transient Directing Groups for Catalytic Asymmetric Intramolecular Alkene Hydroacylation

10.26434/chemrxiv-2025-6wb80-v2

Posted

Jan 22, 2025

Fletcher McClellan, Loan Le

Democratic Theory and the New Undergraduate Political Science Major

Posted

Jan 22, 2025

10.33774/apsa-2025-1blzz

Capstone 2.0: Elevating Research through AI Literacy

Shannon McQueen

Posted

Jan 22, 2025

10.33774/apsa-2025-0ctcl

Corey L. Jones, Alandra Quinn, Xiaochun Wang, Jason K. Smith, Jeffrey M. Casavant, Simon Berritt, Thomas Knauber, Carolos A. Martinez, Jovan Livada, Scott France, Paul F. Richardson, Roger M. Howard, Hatice G. Yayla

Photoenzymatically-Induced Asymmetric Hydroarylation of Alkenes with (Hetero)aryl Halides

10.26434/chemrxiv-2025-m49f0

Posted

Jan 22, 2025

Bartłomiej Kryszak, Aleksandra Ujčić, Veronika Gajdošová, Miroslav Šlouf, Konrad Szustakiewicz

Micro vs nano: influence of filler size on the rheological and mechanical properties of highly-filled PLA/HAp and PCL/HAp composites

10.26434/chemrxiv-2025-q1znl

Posted

Jan 23, 2025

Johannes Gorges, Stefan Grimme

QCxMS2 - a program for the calculation of electron ion- ization mass spectra via automated reaction network dis- covery

10.26434/chemrxiv-2025-277zm

Posted

Jan 23, 2025

Optimization of Theoretical Models and Impact of Basis Sets on Infrared Intensities of the trans-1,2-C2H2F2 Molecule

Sergio Faria

10.26434/chemrxiv-2025-sv4z1

Posted

Jan 23, 2025

DiffractGPT: Atomic Structure Determination from X-ray Diffraction Patterns using Generative Pre-trained Transformer

Kamal Choudhary

10.26434/chemrxiv-2024-ztp85-v2

Posted

Jan 23, 2025

Dominic Asebiah, Autumn Peters, Lauren Borgia, Adair Nicolson, David Scanlon, Obadiah Reid, James Neilson

(NH3(CH2)7NH3)2Sn3I10 a vacancy-ordered 3D tin(II) perovskite-derived semiconductor

10.26434/chemrxiv-2024-106h0-v2

Posted

Jan 23, 2025

Satoshi Sakai, Takuya Nakamura, Mineto Uchiyama, Tomohiro Kubo, Masami Kamigaito, Kotaro Satoh

Controlled/"Living" Click Polymerization with Possible Bi-Directional Chain-Growth Propagation during Polyaddition

10.26434/chemrxiv-2025-dnzfr-v2

Posted

Jan 23, 2025

Rowan Matney, Varun Gadkari

Surface Induced Unfolding Reveals Unique Structural Features and Enhances Machine Learning Classification Models

10.26434/chemrxiv-2025-pgjqj-v2

Posted

Jan 23, 2025

Takuma Chizaki, Koichi Fujiwara, Junko Fujimoto, Tetsuo Narumi, Satoshi Shuto, Mizuki Watanabe

Highly Z-selective Julia–Kocienski Olefination Using N-sulfonylimines and Its Mechanistic Insights from DFT Calculations

10.26434/chemrxiv-2024-4nfk8-v3

Posted

Jan 23, 2025

Trinadh Ballanki, Aishwarya Subramanian, Baby Viswambharan

One-pot Chemoselective Aerobic Cascade Synthesis of Allyl-Aryl Sulfoxides Enabled by Photoinduced Na2 - Eosin Y and TEMPO

10.26434/chemrxiv-2025-6c23s-v2

Posted

Jan 23, 2025

Magdalena M. Scharf, Morgan Scott-Dennis, Leire Borrega-Roman, Franziska N. Z. Giese, Darya Plevako, David A. Sykes, Dmitry B. Veprintsev, Peter Kolb

Water molecules in the cannabinoid receptor 2 binding site crucially impact the discovery of novel ligands

10.26434/chemrxiv-2025-qhx69

Posted

Jan 23, 2025

Raina Sharma, Tamilmani Selvaraj, Gowri Vijayendran, Jithin John Varghese, Govindasamy Jayamurugan

Phosphorylated Sporopollenin as a Sustainable Catalyst for Selective 5-Hydroxymethylfurfural Formation in Water: Insights into Phosphate Functionalization, and Mechanism

10.26434/chemrxiv-2024-f58l0-v4

Posted

Jan 23, 2025

William Daniels, Spencer Kidd, Shuting (Lydia) Yang, Shannon Stokes, Arvind Ravikumar, Dorit Hammerling

Intercomparison of three continuous monitoring systems on operating oil and gas sites

10.26434/chemrxiv-2024-0vsw6-v2

Posted

Jan 23, 2025

Greg D’Silva, Eashaal Mahmood, Rhodri Jervis, Shangwei ZHOU

Generalised Fault Diagnostics of Polymer Electrolyte Fuel Cells Using Machine Learning

10.26434/chemrxiv-2025-pszwj

Posted

Jan 23, 2025

Lucía Olano-Vegas, Davide Spirito, Evgeny Modin, Pavlo Solokha, Sergio Marras, Marco Gobbi, Fèlix Casanova, Serena De Negri, Luis E. Hueso, Beatriz Martín-García

Anisotropic lattice dynamics in a new helical InSeI polymorph: a crystal structure and polarized Raman spectroscopy study

10.26434/chemrxiv-2025-vwqc7

Posted

Jan 23, 2025

Callum Begg, Viktoriya Dragomanova, Dmitry Yufit, Toby Blundell, Steven Cobb, Mark Fox, Matthew Kitching, William Brittain

Enhanced Crystallinity of Tetrahalopyridyl (THP) Derivatized Compounds

10.26434/chemrxiv-2025-nn3vj

Posted

Jan 23, 2025

Sidharth Panda, Ella Eaton, Praveen Muralikrishnan, Erin Stelljes, Davis Seelig, Michael Leyden, Alexandria Gilkey, Jackson Barnes, David Morrissey, Sapna Sarupria, Branden Moriarity, Theresa Reineke

Machine Learning Reveals Amine Type in Polymer Micelles Determines mRNA Binding, In Vitro, and In Vivo Performance for Lung-Selective Delivery

10.26434/chemrxiv-2025-09kqv

Posted

Jan 23, 2025

Himanshu Mishra, Ashish Garg

Heuristic Modeling of Material Properties in Nano/Angstrom-Scale Channels: Integrating Experimental Observations and MD Simulations

10.26434/chemrxiv-2024-57w1p-v2

Posted

Jan 23, 2025

Julian Holland, Malgorzata Makos, Difan Zhang, Loukas Kollias, Mal-soon Lee, Roger Rousseau, Vanda Glezakou, Chris-Kriton Skylaris

Asynchronous Swarm-Based Global Optimisation: Overcoming Premature Convergence to Produce Realistic Pt Nanoparticle Ensembles

10.26434/chemrxiv-2024-hcj35-v3

Posted

Jan 23, 2025

Marc Baltrun, Florian Hett, Michael Seidl, Florian Weigend, Stephan Hohloch

Regioselective [3+2] Cycloaddition Reactions of the Phosphorus and Arsenic Analogues of the Thiocyanate Anion

10.26434/chemrxiv-2025-61l4x-v2

Posted

Jan 23, 2025

Vivin Vinod, Dongyu Lyu, Marcel Ruth, Ulrich Kleinekathöfer, Peter R. Schreiner, Peter Zaspel

Predicting Molecular Energies of Small Organic Molecules with Multifidelity Methods

10.26434/chemrxiv-2024-9zz16-v2

Posted

Jan 23, 2025

Armen G. Beck, Rojan Shrestha, Jun Wang, Jonathan Fine, Erik L. Regalado, Kanaka Hettiarachchi, Katharine B. Williams, Edward C. Sherer, Pankaj Aggarwal

Purification of Pharmaceuticals via Retention Time Prediction: Leveraging Graph Invariant Networks, Limited Data, and Transfer Learning

10.26434/chemrxiv-2025-23z17

Posted

Jan 23, 2025

Carl C. Wamser, Jeanet Conradie, Abhik Ghosh

The Type D Hyperporphyrin Effect

10.26434/chemrxiv-2025-40cnn

Posted

Jan 23, 2025

Wenlong Tang, Jelte Steen, Jurjen Hettinga, Johan Hjelm, Edwin Otten

‘Innocent’ Hexafluorophosphate Salts Induce Capacity Fade in Non-Aqueous Redox Flow Batteries

10.26434/chemrxiv-2025-cgp0s

Posted

Jan 23, 2025

Luca Capelli, Sofia Marzari, Elena Spezzani, Alessandro Bertucci

Structure-Switching DNA Translators for the Integration of Transcription Factor-Driven CRISPR-Cas12a Activity into Synthetic Biomolecular Networks

10.26434/chemrxiv-2025-jr99w

Posted

Jan 23, 2025

Anne Brown, Justin Lemkul

Robustness in Biomolecular Simulations: Addressing Challenges in Data Generation, Analysis, and Curation

10.26434/chemrxiv-2025-gx5p5

Posted

Jan 23, 2025

Pingyu Jiang, Alexander Mikherdov, Hajime Ito, Mingoo Jin

Circularly Polarized Luminescence Control through Molecular Rotation in Crystalline Chiral Binuclear N-Heterocyclic Carbene Au(I) Complexes

10.26434/chemrxiv-2025-s9mms

Posted

Jan 23, 2025

The AI-Enabled Instructor: Three Methods for Enhancing Political Science Learning

Sean Peters

Posted

Jan 23, 2025

10.33774/apsa-2025-1tdf3

Know Where You Start, Not Just Where You're Going: Civic Incomes Assessment at Radford University

Chapman Rackaway

Posted

Jan 23, 2025

10.33774/apsa-2025-pfl3r

Steven Goold, Robert M. Raddi, Vincent Voelz

Expanded ensemble predictions of toluene--water partition coefficients in the SAMPL9 LogP challenge

10.26434/chemrxiv-2024-rfkkp-v2

Posted

Jan 23, 2025

A Proof of Concept of Zn- mediated RDRP of Alanine for dye encapsulation

Subrata Dolui

10.26434/chemrxiv-2025-t9ns0

Posted

Jan 24, 2025

Michał Leszczyński, Maria Kochaniec, Michał Terlecki, Iwona Justyniak, Selay Aydin Sahin, Busra Aydogdu, Recep Yuksel, Marcin Hołdyński, Władysław Wieczorek, Janusz Lewiński

Functional porous carbons derived from novel alkali metal-based coordination polymers for energy storage

10.26434/chemrxiv-2025-ttn8k

Posted

Jan 24, 2025

Wenjie Yue, Renpeng Zhou, Zhixin Wang, Xuanzhen Han, Jin Zhu

Co(III)-Catalyzed, N-Amino-Directed C-H Coupling with 4-Hydroxy-2-Alkynoates for Indole Synthesis

10.26434/chemrxiv-2025-6lww1

Posted

Jan 24, 2025

Herbert Over, Wei Wang, Matej Zlatar, Yu Wang, Phillip Timmer, Alexander Spriewald-Luciano, Lorena Glatthaar, Serhiy Cherevko

Hydrogenation of Mixed Ir-Ti Oxide, a Powerful Concept to Promote the Oxygen Evolution Reaction in Acidic Water Electrolysis

10.26434/chemrxiv-2025-0fp67

Posted

Jan 24, 2025

Himani Patel, Vatsal Purohit, Calvin Steussy, Timothy Schmidt, Paul Helquist, Cynthia Stauffacher, Olaf Wiest

Watching Pseudomonas mevalonii HMG-CoA Reductase in Action

10.26434/chemrxiv-2025-zvmvn

Posted

Jan 24, 2025

Hao Guo, Michael Häfner, Helen Grüninger, Matteo Bianchini

Structure and Ionic Conductivity of Halide Solid Electrolytes based on NaAlCl4 and Na2ZnCl4

10.26434/chemrxiv-2025-01596

Posted

Jan 24, 2025

Shruti Iyer, Nicholas Jackson

In silico exploration of metabolite-derived soft materials using a chemical reaction network: what is possible?

10.26434/chemrxiv-2025-qfgsd

Posted

Jan 24, 2025

Jotypriya Sarkar, Sachin M B Gautham, Fariyad Ali, Mithun Madhusudanan, Harshit Yadav, Anindya Datta, Tarak K Patra, Sivasurender Chandran, Mithun Chowdhury

Nanotetrapods Promote Polymer Flow Through Confinement Induced Packing Frustration

10.26434/chemrxiv-2025-8fv73

Posted

Jan 24, 2025

Aditya Srivastava, Gaurav Sharma

Aptamer-Driven Nanovehicles for Targeted Therapy of HER2 Overexpressing Breast Cancer Cells

10.26434/chemrxiv-2025-d3wkp

Posted

Jan 24, 2025

Heinrich Salzmann, J. Mathias WEBER

Hydration of a Polyaromatic Hydrocarbon in Anionic Perylene-Water Clusters

10.26434/chemrxiv-2025-qv284

Posted

Jan 24, 2025

Anand M. Verma, Shivam Chaturvedi, Swastik Paul, Srinibas Nandi, Rahul Sheshanarayana, Kotni Santhosh, G Valavarasu, Ambedkar Dukkipati, Chuandayani Gunawan Gwie, Pei Ying Moo, Chun Qi Joy Ng, Amol Amrute, Ananth Govind Rajan

Data-driven massive reaction networks reveal new pathways underlying catalytic CO2 hydrogenation

10.26434/chemrxiv-2025-pnh6l

Posted

Jan 24, 2025

Fariyad Ali, Subhankar Kundu

Fluorescence Lifetime Imaging Microscopy: Advancing the Frontier of Material Science

10.26434/chemrxiv-2025-46234

Posted

Jan 24, 2025

Da Bean Han, Gyoung S. Na, Hyun Woo Kim

The Nature of Chemical Bonds in the Age of Artificial Intelligence: Revisiting Electronegativity of Organic Molecules

10.26434/chemrxiv-2025-02krr-v2

Posted

Jan 24, 2025

Roman Fanta, Michal Bajdich

Resolution of selectivity steps of CO reduction reaction on copper by quantum Monte Carlo

10.26434/chemrxiv-2024-46fll-v2

Posted

Jan 24, 2025

Taddeo Simon, Adriel Doppico Hidalgo, Yulianna Velina, Subhojit Majumdar

Artificial Intelligence Driven Prediction of Aqueous Solubility of Drug Molecules Using Molecular Descriptors and Optimized ANN Architectures

10.26434/chemrxiv-2025-1pnxw

Posted

Jan 24, 2025

Aleksandra Szymańska, Mateusz Nowicki, Subhabrata De, Barbara Krupa, Jakub Szyling, Jedrzej Walkowiak

Catalytic hydroboration of ketones using Mn(CO)5Br and Mn2(CO)10

10.26434/chemrxiv-2025-tk4fc

Posted

Jan 24, 2025

Herbert Over, Yu Wang, Paul Paciok, Lukas Pielsticker, Alexander Spriewald-Luciano, Lorena Glatthaar, Aijie Xu, Zimo He, Min Ding, Walid Hetaba, Jaime Gallego, Yanglong Guo, Bernd Smarsly

Boosting Ru Atomic Efficiency of LaFe0.97Ru0.03O3 via Knowledge-Driven Synthesis Design

10.26434/chemrxiv-2025-79ts7

Posted

Jan 24, 2025

Brendan Cullinane, Kunihiko Ishii, Simi Kaur, Tahei Tahara, Randall Goldsmith

Evidence of a Three-State Mechanism in DNA Hairpins Folding

10.26434/chemrxiv-2025-4fg1t

Posted

Jan 24, 2025

Cameron Arnzen, Chloe O'Neill

Teaching About Schooling: Integrating Education Politics into Political Science Curricula

10.33774/apsa-2024-5xlgn-v2

Posted

Jan 24, 2025

MSI Undergraduate Career Readiness Intervention: Preparing UCR Political Science Majors for the Job Market

Joshua Wood

Posted

Jan 24, 2025

10.33774/apsa-2025-7x0n4

Conceiving Poverty and Child Labor in late Nineteenth and Early Twentieth Century New York City and the Nation

John Recchiuti

Posted

Jan 24, 2025

10.33774/apsa-2025-ppvvg

Bobbi Gentry, Chapman Rackaway, Amanda Wintersieck

VGS: Building a Statewide Legislative Simulation from an Idea to Final Gavel

Posted

Jan 24, 2025

10.33774/apsa-2025-89x8f

Pedagogy in an Era of Escalating Political Violence

Krista Nisly

Posted

Jan 24, 2025

10.33774/apsa-2025-80ltv

Version undefined posted 26 January 2025

Prompt-Based Monte Carlo Tree Search for Mitigating Hallucinations in Large Models

Zhihua Duan, Jialin Wang

Posted

Jan 26, 2025

10.33774/coe-2025-r3qsh

Marisol Bermúdez-Montaña, Angel Garcia-Chung, Peter F. Stadler, Jürgen Jost, Guillermo Restrepo

China's rise in the chemical space and the decline of US influence

10.26434/chemrxiv-2025-d2zc8

Posted

Jan 27, 2025

Supuni I. N. Hewa Inaththappulige, Ayush Acharya, A. Nipuna D. De Zoysa, Harshvardhan Singh, Ramesh Giri

Enabling Stereoselective Fluoroalkyl-Sulfonylalkylation of Alkenes and Alkynes Via Photoredox Catalysis

10.26434/chemrxiv-2025-677hc

Posted

Jan 27, 2025

Megan M. Westwood, Peter A. Gilhooly-Finn, Ryan P. Trueman, Aisha Mumtaz, Holly Gregory, Joshua P. A. Daoud, Avishek Dey, Robert Palgrave, Christopher A. R. Chapman, James B. Phillips, Bob C. Schroeder

Simple surface treatment of conjugated polymers for enhanced cell adhesion using UV-Ozone

10.26434/chemrxiv-2025-jqql1

Posted

Jan 27, 2025

Kamal Sharkas, Bryan Wong

Defluorination Mechanisms and Real-Time Dynamics of Per- and Polyfluoroalkyl Substances on Electrified Surfaces

10.26434/chemrxiv-2025-1z9j7

Posted

Jan 27, 2025

Jake Gooderham, Beatrice-Maria Zabava, David Aleku, Julie Vignot, Zuoye Xie, Ruth Bradshaw Allen, Mario Prejanò, Godwin Aleku

Stereocontrol in Reductive Aminases through Steric Modification of Residues Around Substrate and Cofactor Binding Pockets

10.26434/chemrxiv-2025-65fz5

Posted

Jan 27, 2025

Ziga Casar, Davide Tisi, Samuel J. Page, H. Chris Greenwell, Franco Zunino

Is there a future for 43Ca nuclear magnetic resonance in cement science?

10.26434/chemrxiv-2025-wmsfc

Posted

Jan 27, 2025

Fatima Naser Aldine, Dayana A. Muizzi, Irene F. Baraza, Joseph C. Furgal, Alexis D. Ostrowski

Tuning Quantum Yield to Maximize Nitric Oxide Release Under Red and NIR Light in Photoresponsive Ruthenium Salen Materials

10.26434/chemrxiv-2025-hgplj

Posted

Jan 27, 2025

David A. Delgadillo, Lin Wu, Caroline Wang, Yalong Zhang, Kunal Jha, Jessica Burch, Lygia Silva de Moraes, Isabel Hernandez Rodriguez, Melody Tang, Gerald Bills, Benjamin Tu, Yi Tang, Hosea Nelson

Microcrystal electron diffraction-guided discovery of fungal metabolites

10.26434/chemrxiv-2024-wvqjd-v2

Posted

Jan 27, 2025

Cindy Bay, Philipp Uhl, Andreas D. Meid, Jürgen Burhenne, Walter E. Haefeli, Max Sauter

Quantification of arginine-rich cyclic cell-penetrating peptide-lipid conjugates using trifluoracetic acid-based UPLC-MS/MS analysis

10.26434/chemrxiv-2024-798dv-v3

Posted

Jan 27, 2025

Matthew S. Johnson, David H. Bross, Judit Zador

Resolving the Coverage Dependence of Surface Reaction Kinetics with Machine Learning and Automated Quantum Chemistry Workflows

10.26434/chemrxiv-2024-36w9w-v2

Posted

Jan 27, 2025

Anders Andreasen, Jasper van Baten

Techno-economic analysis and optimisation of grey and green methanol synthesis using flowsheet automation and surrogate modelling

10.26434/chemrxiv-2024-50852-v2

Posted

Jan 27, 2025

Cultivating Success: Mentoring Experiences in the Honors Program (Chemistry) for Health Sciences at Community College

Olena Novobranova

10.26434/chemrxiv-2025-q68w5-v2

Posted

Jan 27, 2025

Seongmin Kim, Joshua Schrier, Yousung Jung

Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models

10.26434/chemrxiv-2024-ltncz-v3

Posted

Jan 27, 2025

Pol Hernández-Lladó, Kirsten Christensen, Jonathan Burton

Synthesis of the spirotetracyclic core of the ginkgolides via a malonyl radical cascade

10.26434/chemrxiv-2025-2931g-v2

Posted

Jan 27, 2025

Sai Gokul Subraveti, Rahul Anantharaman

Methane enrichment from dilute sources: Performance limits and implications for methane removal and abatement

10.26434/chemrxiv-2025-q70cw-v2

Posted

Jan 27, 2025

Pamburayi Mpofu, Pentti Niiranen, Oscar Alm, Jonas Lauridsen, Tommy Larsson, Henrik Pedersen

Atomic Layer Deposition of AlxTi1-xN via Co-evaporation of Metal Precursors

10.26434/chemrxiv-2025-0tns5-v2

Posted

Jan 27, 2025

Chaobo Feng, Hua Zeng, Longxiang Yao, Feng Chen, Bing-Qiang Lu

Molecular orientation in amorphous calcium phosphate-pyrophosphate

10.26434/chemrxiv-2025-xqvks-v2

Posted

Jan 27, 2025

Cory Ludwig, Isiaka Owolabi, Logan Evans, Gabriel Smith, Alexander Ramos, James Shepherd, David Martin

Wavelength-Selective Reactivity of Iron(III) Halide Salts in Photocatalytic C–H Functionalization

10.26434/chemrxiv-2024-nbcsr-v2

Posted

Jan 27, 2025

Rukon Uddin, Subrata Bhowmik

V2O5 as Potential Hole Transport Material for Tin-based Non-toxic Perovskite Solar Cells

10.26434/chemrxiv-2025-qxw48-v2

Posted

Jan 27, 2025

Magnus Strandgaard, Trond Linjordet, Hannes Kneiding, Arron Burnage, Ainara Nova, Jan Halborg Jensen, David Balcells

A Deep Generative Model for the Inverse Design of Transition Metal Ligands and Complexes

10.26434/chemrxiv-2024-mzs7b-v2

Posted

Jan 27, 2025

Domenico Gioffrè, Christophe Copéret, Pierre Florian, Thomas Pigeon, Pascal Raybaud, Céline Chizallet

Classification and Identification of Facet and Edge specific γ-Al2O3 Surface Sites from 1H/27Al NMR Cross-Signatures and DFT modelling

10.26434/chemrxiv-2024-w4g5h-v3

Posted

Jan 27, 2025

Sameer R. Sonavane, Tushar B. Kale, Gaurang J. Bhatt, Santosh B. Mhaske

Organophotoredox-Catalyzed Decarboxylative Carbon-Heteroatom Bond Formation: Access to Ampakine APIs and Quinazolinone Alkaloids

10.26434/chemrxiv-2024-6lql3-v3

Posted

Jan 27, 2025

Kiran Vaddi, Huat Thart Chiang, Lilo D Pozzo

Autonomous Phase Mapping of Gold Nanoparticles Synthesis with Differentiable Models of Spectral Shape

10.26434/chemrxiv-2025-zktwx

Posted

Jan 27, 2025

Body center tetragonal Pseudo-diamond C20: Crystal Chemistry and first principles Investigations

Samir MATAR

10.26434/chemrxiv-2025-8mt3k

Posted

Jan 27, 2025

Francesco Furlan, Michal Šámal, Jiří Rybáček, Andrea Taddeucci, Marta di Girolamo, Davide Nodari, Giuliano Siligardi, Jessica Wade, Binghai Yan, Irena Stará, Nicola Gasparini, Matthew Fuchter

Electrical control of photon spin angular momentum in organic electroluminescent materials

10.26434/chemrxiv-2025-rbqh1

Posted

Jan 27, 2025

Kapil Nichani, Frederik Fleissner, Bertrand Colson, Coralie Leonard, Steffen Uhlig

On the Role and Reality of Digital Reference Materials

10.26434/chemrxiv-2025-kl68b

Posted

Jan 27, 2025

Meenal Agrawal, Quoc-Anh Tran, Michael Häusler, Johannes Hörmann, Mohsen Sadeqi-Moqadam, Ingeborg Sellæg Ellingsen, Mir Mehraj Ud Din, Per Erik Vullum, Roman Zettl, Timo Danner, Arnulf Latz, Volker Hennige, Roland Brunner, Daniel Rettenwander

Uni-axial densification of slurry-casted Li₆PS₅Cl tapes for solid-state pouch cells: The role of particle size distribution and densification pressure

10.26434/chemrxiv-2025-2bvpq

Posted

Jan 27, 2025

Paul Katzberger, Felix Pultar, Sereina Riniker

Transferring Knowledge from MM to QM for a Graph Neural Network Based Implicit QM Solvent

10.26434/chemrxiv-2025-sx29m

Posted

Jan 27, 2025

Chemical Research Odyssey: From High School Foundations to University Frontiers

Thibaud Rossel

10.26434/chemrxiv-2025-h00mw

Posted

Jan 27, 2025

Steve Dave Wansi Wendji, Remi Piotrowski, Antonio Familiari, Carlo Massobrio, Mauro Boero, Christine Tugène, Firas Shuaib, David Hamani, Pierre-Marie Geffroy, Philippe Thomas, Alfonso Pedone, Assil Bouzid, Olivier Masson, Gaelle Delaizir, Guido Ori

Structure, bonding and ionic mobility in Na-V-P-O glasses for energy storage applications through experiments, first-principles and machine learning-accelerated molecular dynamics

10.26434/chemrxiv-2025-0hrw6

Posted

Jan 27, 2025

Abraham Rosenberg, Daniel Lintz, Juncheng Li, Yiren Zhang, Joseph Doane, Miranda Bristol, Alma Kolakji, Ting Wang, Michael Yeung

Tailoring High Entropy Borides for Hydrogenation: The Influence of Crystal Morphology and the Exploration of Catalytic Pathways

10.26434/chemrxiv-2025-018jg

Posted

Jan 27, 2025

Nazifa Jahan Pranti, Sharifa Faraezi, Tomonori Ohba, Argyrios V. Karatrantos, Md Sharif Khan

Interplay Between Organic Solvent Geometry and Divalent Cation Dynamics in Divalent Metal Batteries

10.26434/chemrxiv-2025-8fvf1

Posted

Jan 27, 2025

Brandi Ransom, Riccardo Bosio, Dmitry Zubarev, James Hedrick, Nathaniel Park

High-throughput computational analysis of kinetic barriers to ring-closing depolymerization for aliphatic polycarbonates

10.26434/chemrxiv-2025-kw811

Posted

Jan 27, 2025

Eduardo Garcia-Padilla, Feliu Maseras

Gold(I)-Mediated Reactivity of Allenes with Mesoionic Nucleophiles: A Computational Study

10.26434/chemrxiv-2025-t9m19

Posted

Jan 27, 2025

Kingsley Agu, Nicholas Banahene, Carolina Santamaria, Christi Kim, Jessica Cabral, Kyle Biegas, Casey Papson, Andrew Kruskamp, M. Sloan Siegrist, Benjamin Swarts

A Photoactivatable Free Mycolic Acid Probe to Investigate Mycobacteria–Host Interactions

10.26434/chemrxiv-2025-ttl38

Posted

Jan 27, 2025

Tom Swinfield, Eleanor Toye Scott

Scientific credibility for high-integrity voluntary carbon markets

10.33774/coe-2025-f0j70-v2

Posted

Jan 27, 2025

Detection of Tetrachlorobutadiene Isomers Using Density Functional Theory Methods, A Comparative Study of Hartree-Fock and Density Functional Theory Analysis

Kaniz Fatema

10.26434/chemrxiv-2025-hrfl8

Posted

Jan 27, 2025

Jasan Mangalindan, Fatima Mahnaz, Jenna Vito, Navaporn Suphavilai, Manish Shetty

Tandem Cu/ZnO/ZrO2-SAPO-34 System for Dimethyl Ether (DME) Synthesis from CO2 and H2: Catalyst Optimization, Techno-Economic and Carbon-Footprint Analyses

10.26434/chemrxiv-2025-ts81d

Posted

Jan 27, 2025

Abe Hendriks, Julius Wesche

Sustainability Transitions Research: An Introduction

Posted

Jan 27, 2025

10.33774/coe-2025-sf9jh

Madeline Harper, Amanda Dumi, Shiv Upadhyay, Riley J. Workman, Delaney Nelson, Uma Nudurupati, Yangguang Ou, David Punihaole

Low-frequency Raman Spectra of Amyloid Fibrils

10.26434/chemrxiv-2025-4wbvd

Posted

Jan 27, 2025

Yuchen Rui, Dallin Arnold, Jacob Beckham, Bowen Li, Guillaume Duret, Gautam Chaudhry, Jacob Robinson, James Tour

Molecular Motors Activate Skeletal Muscle

10.26434/chemrxiv-2025-9v5t8

Posted

Jan 27, 2025

Vinicius Piccoli, Leandro Martínez

Cation Hydrophobicity Effects on Protein Solvation in Aqueous Ionic Liquids

10.26434/chemrxiv-2025-bqd7j

Posted

Jan 27, 2025

Fostering Critical Thinking in the Age of AI: Why Information Literacy Still Matters

Kimberly MacVaugh

Posted

Jan 27, 2025

10.33774/apsa-2025-l3vrn

Ruiying Jiang, Nour Wasfy, Takahiro Mori, Megan Hoang, Ikuro Abe, Hans Renata

Harnessing a Ketone-Accepting Pictet-Spenglerase for the Asymmetric Construction of 1,1-Disubstituted Tetrahydro-ß-Carboline Alkaloids

10.26434/chemrxiv-2025-fvct3

Posted

Jan 27, 2025

Stephen Phillips, Tara Trask

Bracket Chats: Promoting Bureaucratic Knowledge through Tournament Brackets

Posted

Jan 27, 2025

10.33774/apsa-2025-87wxz

Political Science Study Abroad Programs in the Global South

Rex Nario

Posted

Jan 27, 2025

10.33774/apsa-2025-k66kw

Cohort and Career: Cross-Class Bonds and Foreign Policy Professional Development

William Schlickenmaier

Posted

Jan 27, 2025

10.33774/apsa-2025-xc9lk

Jan Jaenecke, Konstantin Bikbaev, Julia Bronold, Shanika Yadav, Ulf Apfel, James Birrell, Ingrid Span, Nicolas Plumeré, Martin Winkler

The Plug-Lock-Lid Mechanism as Prerequisite for Rapid in vitro Maturation of [FeFe]-Hydrogenases

10.26434/chemrxiv-2025-x6j1c

Posted

Jan 27, 2025

Teaching Methods with Off-the-Shelf Board Games

Dave Bridge, Clay Parham

Posted

Jan 27, 2025

10.33774/apsa-2025-nprms

The Senate Sandbox: Teaching Legislative Politics Through Open-Ended, Multi-Week Senate Simulations

Robert Oldham

Posted

Jan 27, 2025

10.33774/apsa-2025-bscbl

Capstone: Merging Experiential Learning, Research, And 21st Century Pedagogy

Pearl Matibe

Posted

Jan 27, 2025

10.33774/apsa-2025-dhttz

Campaign Spending Law & Politics for Constitutional Convention Referendums: A Case Study of Alaska

J.H. Snider

Posted

Jan 27, 2025

10.33774/apsa-2025-d120s

Adnan Rasool, Carrie Humphreys

Strong Foundations: A Holistic Approach to Political Science Career Preparation

Posted

Jan 27, 2025

10.33774/apsa-2025-q9lnl

Assessing the Effectiveness of Teaching Career Readiness

Carly Schmitt

Posted

Jan 27, 2025

10.33774/apsa-2025-ptb5j

Political Science in Practice: Applied Research Projects as Career Preparation

Simone Paci

Posted

Jan 27, 2025

10.33774/apsa-2025-hp56z

Victor Asal, Charmaine Willis, Nakissa Jahanbani

Get Up, Stand Up: Teaching Students about the Challenges of Mobilization

Posted

Jan 27, 2025

10.33774/apsa-2025-9txb3

Jonathon Ferrell, Yutong Shi, Yu Shi, Severin Schneebeli, Jianing Li

Tunable Conformational Fluctuations of DNA Nanocages

10.26434/chemrxiv-2025-zx11g

Posted

Jan 28, 2025

Sunita Mondal, Yihao Zhang, Kai-Stephan Feichtner, Arpan Das, Lili Zhao, Gernot Frenking, Viktoria H. Gessner

PPh3/Isocyanide and N2/Isocyanide Exchange: Pathways to Isolable Alkali Metal Keteniminyl Anions

10.26434/chemrxiv-2025-mfpl5

Posted

Jan 28, 2025

Elahe Zandy, Alborz Bakhtiari, Hamid Reza Madaah Hosseini

Mechanistic insight into the light absorption and charge carrier separation in photoelectrochemical performance of oxygen-doped g-C3N4 and oxygen-vacancy-enriched Mn3O4 nanocomposites

10.26434/chemrxiv-2025-rg620

Posted

Jan 28, 2025

Mercede Azizbaig Mohajer, Pallab Basuri, Andrei Evdokimov, Gregory David, Daniel Zindel, Evangelos Miliordos, Ruth Signorell

Spontaneous formation of urea from carbon dioxide and ammonia in aqueous droplets

10.26434/chemrxiv-2025-05lfn

Posted

Jan 28, 2025

Shu Li Li, Chieh Tsao, Sheng-Yu Yang, Jerry Chun Chung Chan

Structural Order of Mg-Stabilized Amorphous Calcium Carbonate and Its Associated Phase Transformation

10.26434/chemrxiv-2025-1np7n

Posted

Jan 28, 2025

Hui-Yao Lin, Le Li, Jia-Wang Hou, Fei Tong, Da-Hui Qu

Fabricating Elastic Molecular Crystals with Enhanced Mechanical Durability through Molecular Engineering

10.26434/chemrxiv-2025-8l5cj

Posted

Jan 28, 2025

Pengyu Hong, Chaoshuang Xia, Yang Tang, Juan Wei, Cheng Lin

Glycan Mixture Analysis by Kernel Component Composition for Matrix Factorization

10.26434/chemrxiv-2024-f1nsj-v2

Posted

Jan 28, 2025

Satoru Kosaka, Kentaro Kurebayashi, Naoki Yamato, Hiroshi Tanaka, Naoki Haruta, Masanori Yamamoto

Thiyl Chemistry: Cysteine-Catalyzed Maleate Isomerization via Aqueous Thiyl Radical Processes

10.26434/chemrxiv-2024-9c8sr-v2

Posted

Jan 28, 2025

Masahiko Yoshimura, Ryuto Sasayama, Takashi Kajiwara, Chihiro Mori, Yusuke Nakasone, Tomoko Inose

Remote Silyl Groups Enhance Hydrolytic Stability and Photocleavage Efficiency in Carbamates for Protein Release

10.26434/chemrxiv-2024-vrvwd-v2

Posted

Jan 28, 2025

Muhammad Ans, Gaurav C. Pandey, Innes McClelland, Naresh Gollapally, Harry Gillions, Beth J Johnston, Matthew J. W. Ogley, James A. Gott, Eleni Fiamegkou, Veronica Celorrio, Pardeep K. Thakur, Tien-Lin Lee, Serena A. Cussen, Ashok S. Menon, Louis F. J. Piper

Operando X-ray and Postmortem Investigations of High-voltage Electrochemical Degradation in Single-crystalline-LiNiO2–Graphite Cells

10.26434/chemrxiv-2025-rf5bp-v2

Posted

Jan 28, 2025

Benchmarking of Density Functional Theories for Combustion Reactions in Alkanes by Evaluating Thermodynamic Properties

Kaniz Fatema

10.26434/chemrxiv-2025-71105-v2

Posted

Jan 28, 2025

Impact of geochemistry on wettability and electrical properties of kerogen and organic-rich mudrocks

Archana Jagadisan

10.26434/chemrxiv-2025-1p0xw

Posted

Jan 28, 2025

Gabriel A. A. Diab, Izadora F. Reis, Chong Wang, Diandra Barreto, Oleksandr Savateev, Ivo F. Teixeira, Pablo Jiménez Calvo

Ionic Metal Poly(heptazine Imides) and Single-Atoms Interplay: Engineered Stability and Performance for Photocatalysis, PhotoElectroCatalysis and Organic Synthesis

10.26434/chemrxiv-2025-02r3v

Posted

Jan 28, 2025

Mayank Vashishtha, Vasanth Kumar Kannuchamy

Nucleation rate and Gibbs free energy of nucleation of APIs in solution at different cooling rates

10.26434/chemrxiv-2025-cdf0h

Posted

Jan 28, 2025

Bing-Wen Li, Jicheng Duan, Jiguo Ma, Zhi-Xiang Yu

Nickel-Catalyzed [4 + 4] Cycloaddition of Diene-Vinylcyclobutanones

10.26434/chemrxiv-2025-pvxgn

Posted

Jan 28, 2025

Shivendra Singh, Supritam Datta, Souvik Manna, Biswarup Pathak, Tushar Kanti Mukherjee

Unraveling the Hidden Pathway of Catalyst‐Free Direct Photochemical Conversion of Sulfides to Sulfoxides: A Universal Pathway Under UVA Radiation

10.26434/chemrxiv-2025-q1q5x

Posted

Jan 28, 2025

Lucy Huffman, Anjana Seshadri, Christopher Hastings, William Brennessel, Ignacio Franco, Brandon Barnett

Assessing Structure and Dynamics of Iron Complexes Supported by Tris(amidate)amine Ligands

10.26434/chemrxiv-2025-cs0r1

Posted

Jan 28, 2025

Jan Stegemann, Matthias Niklas Augustin, Julia Ackermann, Nour el Houda Fizzi, Krisztian Neutsch, Markus Gregor, Svenja Herbertz, Sebastian Kruss

Levodopa Sensing with a Nanosensor Array and a Low-Cost Near Infrared Readout

10.26434/chemrxiv-2025-9lf2t

Posted

Jan 28, 2025

Sven Neuberger, Neeshma Mathew, Sheyi Clement Adediwura, Hector Javier Cortes Sanchez, Jörn Schmedt auf der Günne

Li4P2Se6 - Structure and Properties

10.26434/chemrxiv-2025-10rgz

Posted

Jan 28, 2025

The Thermodynamic Velocity of Particles (Photons) Constituting the Cosmic Microwave Background: A New Thermodynamic Energy Law for the Hubble Sphere

Espen Haug

Posted

Jan 28, 2025

10.33774/coe-2025-sg9xw

Yutong Luo, Michael Beerbaum, Stefan Röher, Sara Amanzadeh Salout, Volodymyr Bon, Yang Lu, Leonid Shupletsov, Ankita De, Xinliang Feng, Inez M. Weidinger, Thomas Kühne, Arafat Hossain Khan, Irena Senkovska, Stefan Kaskel

Two-dimensional conjugated metal-organic frameworks as electrocatalysts for boosting glycerol upgrading coupled with hydrogen production

10.26434/chemrxiv-2025-pfgdf

Posted

Jan 28, 2025

Griffin Milligan, Sirisak Singsen, Sydney To, Toshihiro Aoki, Brian Zhi, Cameron Collins, Kaleolani Ogura, Elizabeth M. Y. Lee, Maxx Arguilla

Precision synthesis of a one-dimensional single chain polymorph of Sb2Te3 within single-walled carbon nanotubes

10.26434/chemrxiv-2025-ph8zb

Posted

Jan 28, 2025

Xiaoqin Ning, Tonglin Zhao, Yulei Zhu, Bo Liu, Xufei Yan, Ying Xia

Palladium-catalyzed enantioselective and stereospecific assembly of axially chiral alkylidenecyclobutanes via N-tosylhydrazone-based carbene couplings

10.26434/chemrxiv-2025-n2x5j

Posted

Jan 28, 2025

Subir Panja, Biprajit Paul, Ankita Mandal

Developments in Suzuki-Miyaura cross coupling reaction (SMR) towards green synthesis

10.26434/chemrxiv-2025-mf5t7

Posted

Jan 28, 2025

Kai-Hung Huang, Kitmin Chen, Nicolás M. Morato, Thomas C. Sams, Eric T. Dziekonski, R. Graham Cooks

High-Throughput Microdroplet-Based Synthesis using Automated Array-to-Array Transfer

10.26434/chemrxiv-2025-19k8q

Posted

Jan 28, 2025

Hippolyte Meersseman Arango, Tom Leyssens, Patricia Luis, Damien Debecker

Enzyme-membrane-reactors: recent trends and applications for the production of fine chemicals and pharmaceutical building-blocks

10.26434/chemrxiv-2025-6b2mp

Posted

Jan 28, 2025

Falak Naz, Changfeng Si, Suela Kellici, Tariq Sajjad, Eli Zysman-Colman

Developing red and NIR thermally activated delayed fluorescence emitters based on dibenzo[f,h]pyrido[2,3-b]quinoxaline acceptor

10.26434/chemrxiv-2025-hn77r

Posted

Jan 28, 2025

Kevin Kleemann, Madalina Jaggi, Stefano M. Bernasconi, Robert Alexander Schmitz, Glauco Battagliarin, Andreas Künkel, Carsten Simon, Kristopher McNeill, Michael Sander

Photochemical Chain Scissions Enhance Polyethylene Glycol Biodegradability: From Probabilistic Modelling to Experimental Demonstration

10.26434/chemrxiv-2025-t42q4

Posted

Jan 28, 2025

Sylvain Foucquart, Taline Kerackian, Geraud Chacktas, Jean-Christophe Cintrat, Eugénie Romero

microPhotoGas reactor: High-throughput experimentation for photoinduced reactions under gas atmosphere

10.26434/chemrxiv-2025-tln5l

Posted

Jan 28, 2025

Michael Rogers, Christopher Housenick

Adapting the Political Science Major to an Evolving Higher Education Environment

Posted

Jan 28, 2025

10.33774/apsa-2025-q2673

Uday Abu Shehab, Gerhard F. Ecker

To what extent can we extrapolate Proteochemometric models: A case study for the SLC6 transporter family

10.26434/chemrxiv-2025-sbw2l-v2

Posted

Jan 28, 2025

Research summary

Rare Earth Element Pricing: A Review of the Literature

Talia Buckhouse

Posted

Jan 28, 2025

10.33774/coe-2025-66r9t

Elizabeth O'Callaghan, Holloway Sparks, Michael Evans

A New Model for Graduate Student Pedagogy Training

Posted

Jan 28, 2025

10.33774/apsa-2025-x69qv

Judith Zander, Roland Marschall

Novel earth-abundant Cu and Fe-based chalcogenide cocatalysts for photocatalytic hydrogen evolution

10.26434/chemrxiv-2025-vk3rl

Posted

Jan 29, 2025

Mario Astigarraga, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo

Conformal Prediction-based Machine Learning in Cheminformatics: Current Applications and New Challenges

10.26434/chemrxiv-2025-p36vt

Posted

Jan 29, 2025

Nancy Arrington, Matthew Baker, Adam Rutkowski

Federal Judicial Nomination Simulations in the Political Science Classroom

Posted

Jan 29, 2025

10.33774/apsa-2025-q2n4b

Collaborative co-education as a facilitator of high impact learning experiences

Elizabeth Vann

10.33774/apsa-2025-rhgq8-v2

Posted

Jan 29, 2025

Teaching Political Science with Pop Culture

Marie Schenk

Posted

Jan 29, 2025

10.33774/apsa-2025-611gj

Tomasz Rzemieniecki, Krzysztof Juś, Tomasz Klejdysz, Daniela Gwiazdowska

Quaternary biopesticides and disinfectants derived from quinine and amino acids – environmental prospects and risks

10.26434/chemrxiv-2024-h5hbb-v2

Posted

Jan 29, 2025

Chengbo Yao, Christophe Copéret

Site-Selective and Late-Stage Deuteration of (Hetero)arenes with Supported Iridium Nanoparticles

10.26434/chemrxiv-2024-k6jnq-v2

Posted

Jan 29, 2025

Hiu Lok NGAN, Viktoriia Turkina, Denice van Herwerden, Hong Yan, Zongwei Cai, Saer Samanipour

Machine Learning for Enhanced Identification in RPLC/HRMS Non-Targeted Workflows

10.26434/chemrxiv-2024-mdl4q-v2

Posted

Jan 29, 2025

Rukon Uddin, Sayem Ul Alam, Subrata Bhowmik

Comprehensive Analysis for Low-cost and Highly Efficient Perovskite Solar Cells Using SCAPS-1D with Inexpensive Hole Transport Material, Electron Transport Material and Back Contact Considering the Toxicity

10.26434/chemrxiv-2025-9t733-v2

Posted

Jan 29, 2025

David F. Nippa, Kenneth Atz, Yannick Stenzhorn, Alex T. Müller, Andreas Tosstorff, Jörg Benz, Hayley Binch, Markus Bürkler, Achi Haider, Dominik Heer, Remo Hochstrasser, Christian Kramer, Michael Reutlinger, Petra Schneider, Thierry Shema, Andreas Topp, Alexander Walter, Matthias B. Wittwer, Jens Wolfard, Bernd Kuhn, Mario van der Stelt, Rainer E. Martin, Uwe Grether, Gisbert Schneider

Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-objective molecular optimization

10.26434/chemrxiv-2025-0lxhw-v2

Posted

Jan 29, 2025

Smaragda Lymperopoulou, Samuel Hoff, Anna Sola-Rabada, Monika Michaelis, Igor Efimov, Zayd Westcott, India Willimott, Mauro Chiacchia, Hendrik Heinz, Carole Perry, Darren Bradshaw

Genetically Engineered Peptides for the Biomimetic Mineralisation of Metal-Organic Frameworks

10.26434/chemrxiv-2025-lmtvh-v2

Posted

Jan 29, 2025

Christian Heinekamp, Arkendu Roy, Stephanos Karafiludis, Sourabh Kumar, Ana Guilherme Buzanich, Tomasz M. Stawski, Aistė Miliūtė, Marcus von der Au, Mike Ahrens, Thomas Braun, Franziska Emmerling

Zirconium Fluoride-Supported High-Entropy Fluoride: A Catalyst for Enhanced Oxygen Evolution Reaction

10.26434/chemrxiv-2024-4f99b-v2

Posted

Jan 29, 2025

Daria Timofeeva, William Kerr, David Lindsay, David Nelson

Probing Substrate Binding and Release Events in Iridium-Catalysed Hydrogen Isotope Exchange Reactions

10.26434/chemrxiv-2025-rbcfg

Posted

Jan 29, 2025

Flow of Power Law Fluids in Tubes of Elliptical Cross Sections

Taha Sochi

10.26434/chemrxiv-2025-tcmc4

Posted

Jan 29, 2025

Robert Sparks, William Lawless, Anna Kharitonova, Rainer Metcalf, Jamie Nunziata, Grace Binder, Sauradip Chaudhury, Christine Gambino, Michelle Wilde, Linette Harding, Jaret Crews, Mansi Gopu, Emilia Dalamangus, Sarah Lawless, Mark Eschenfelder, Robert Green, Elizabeth Nompleggi, Timothy Tran, Yan Yang, Donna Trask, Paul Thompson, Niketa Patel, Rekha Patel, Wesley Brooks, Guy Bradley, Mildred Acevedo-Duncan, Alan Mullen, James Leahy, Kenyon Daniel, Wayne Guida

Discovery of Clonixeril as a Sub-Femtomolar Modulator of the Human STING Receptor

10.26434/chemrxiv-2024-bxr73-v3

Posted

Jan 29, 2025

Matthew Medcalf, Varsha Jain, Stefani Gamboa, Brian Atwood, Maoussi Lhuillier-Akakpo, Victoire Cachoux, Franck Levaillant, Jean-Christophe Meillon, Clémentine Pescheteau, Quentin Perron

Overcoming DMTA Cycle Challenges: A Unified AI-Driven System for Efficient Drug Design

10.26434/chemrxiv-2024-0z7g6-v2

Posted

Jan 29, 2025

Douglas Garratt, Sambit K. Das, Kacie J. Nelson, Jessica Harich, Antonia Freibert, Camila Bacellar, Claudio Cirelli, Philip J. M. Johnson, Rebeca G. Castillo, Marija R. Zoric, Ru-Pan Wang, Hyeongtaek Lim, Amy A. Cordones, Nils Huse, Michael Odelius, Kelly Gaffney

Influence of substitution pattern on the dynamics of internal conversion and intersystem crossing in thiopyridone isomers

10.26434/chemrxiv-2025-29gd5

Posted

Jan 29, 2025

Mitasha Kaushik, Manish Sharma

Rivers at Risk: A Comprehensive Review of Human-Induced Pollution and Its Seasonal Variation.

10.26434/chemrxiv-2025-g8wxz

Posted

Jan 29, 2025

Jisoo Oh, Joshua Davis, Sandrine Tusseau-Nenez, Mathis Plapp, Alexandre Baron, Thierry Gacoin, Jongwook Kim

Continuous anisotropic growth of NIR-plasmonic CsxWO3-δ nanocrystals into rods and platelets

10.26434/chemrxiv-2025-wwmlm

Posted

Jan 29, 2025

Elliott Denton, Hendrik Schmitt, Olivera Stepanovic, Patrick Müller, Alexander Müller, Daniel Svoboda, Bill Morandi

Ligand Design Enables the Palladium-Catalyzed Intermolecular Carbochlorocarbonylation of Alkynes and Cyclopentenone Formation

10.26434/chemrxiv-2025-vpptw

Posted

Jan 29, 2025

Hiroyuki Yatabe, Keita Saito, Ayumi Koike, Yoichi Takakusagi, Abdelazim Elhelaly, Fuminori Hyodo, Masayuki Matsuo, Wataru Mizukami, Maki Sugaya, Tsuyoshi Osawa, Murali Krishna, Kazutoshi Yamamoto, Yutaro Saito, Shinsuke Sando

In vivo multiplexed analysis of aminopeptidase activities by hyperpolarized molecular probes for tumor diagnostic applications

10.26434/chemrxiv-2025-wcbc3

Posted

Jan 29, 2025

Ohmin Kwan, Marco Gibaldi, Kasturi Nagesh Pai, Arvind Rajendran, Tom Woo

Identification of metal-organic frameworks for near practical energy limit CO2 capture from wet flue gases: an integrated atomistic and process simulation screening of experimental MOFs

10.26434/chemrxiv-2025-wncqj

Posted

Jan 29, 2025

Beatriz Mouriño, Sauradeep Majumdar, Xin Jin, Fergus McIlwaine, Joren van Herck, Andres Ortega-Guerrero, Susana Garcia, Berend Smit

Exploring the Chemical Design Space of Metal-Organic Frameworks for Photocatalysis

10.26434/chemrxiv-2025-z7zjr

Posted

Jan 29, 2025

Lukas Blank, Jungwon Kim, Constantin Daniliuc, Alissa Götzinger, Marc-André Müller, Jan Schütz, Bettina Wüstenberg, Ryan Gilmour

Deconjugative Photoisomerization of Cyclic Enones

10.26434/chemrxiv-2025-wf19q

Posted

Jan 29, 2025

Abbigayle Cuomo, John-Paul Webster, H. Ray Kelly, Sumon Sarkar, Yu Shee, Sanil Sreekumar, Haote Li, Frederic Buono, Victor Batista, Timothy Newhouse

EvolvedComplexity as a Total Synthesis Assessment Metric: Strychnine as a Case Study of Scoring Functions

10.26434/chemrxiv-2025-qr0hk

Posted

Jan 29, 2025

Chelsea Kaufman, Colin Brown

All the Feels: Developing Empathy in Political Science Courses

Posted

Jan 29, 2025

10.33774/apsa-2025-lj77s

“Playful and Gameful” Choose Your Own Adventure Method of Teaching and Grading Political Science Courses.

Pavel Bačovský

Posted

Jan 29, 2025

10.33774/apsa-2025-wpql4

Andrea Steiner, Elia Cia Alves

Teaching about the policy-environment interface: lessons from Brazil

Posted

Jan 29, 2025

10.33774/apsa-2025-mdp7f

Seonghun Shin, Owen Land, Warren Seider, Jinkee Lee, Daeyeon Lee

Artificial Intelligence-Empowered Automated Double Emulsion Droplet Library Generation

10.26434/chemrxiv-2025-n6x46

Posted

Jan 30, 2025

Natalie Khamissi, Christopher Korfmann, Areeba Chaudhry, Ryan Hili

Ligase-catalyzed transcription and reverse-transcription of XNA-containing nucleic acid polymers using T3 DNA ligase

10.26434/chemrxiv-2025-wjgnx

Posted

Jan 30, 2025

Stephen McBride, Megan Pike, Erica Curran, Alexander Zavriyev, Bukola Adebesin, Luke Tucker, Jared Harzan, Ishani Senanayake, Mustapha Abdulmojeed, Franziska Theiss, Sheng Shen, Thomas Boele, Simon Duckett, Boyd Goodson, Matthew Rosen, Eduard Chekmenev, Hong Yuan, Carlos Dedesma, Terence Gade, Stephen Kadlecek, Thomas Theis, Patrick TomHon

Scalable Hyperpolarized MRI Enabled by Ace-SABRE of [1-13C]Pyruvate

10.26434/chemrxiv-2025-s99f0

Posted

Jan 30, 2025

Severin Polonius, Leticia González, Sebastian Mai

Ultrafast Solvent Migration in an Iron Complex Revealed by Nonadiabatic Dynamics Simulations

10.26434/chemrxiv-2025-r2h91

Posted

Jan 30, 2025

Seungri Kim, Haozhen Wang, Darjan Podbevšek, Tong Wang, Xi Chen

Nanoconfined-liquid-dependent water-responsive actuation of Bacillus subtilis cell walls

10.26434/chemrxiv-2025-g3rpr

Posted

Jan 30, 2025

Nicholas Woytowich, Catherine Roberts, Phillip Ankley, Markus Brinkmann, Erik Krogh, Kyle Duncan

Uncovering spatially resolved 6PPDQ metabolism in rainbow trout fry with nano-DESI mass spectrometry imaging

10.26434/chemrxiv-2025-k01bd

Posted

Jan 30, 2025

Jing Yu, Belal Alshaar, Sven Heiles

Photochemical epoxidation for the mass spectrometric elucidation of lipid structures

10.26434/chemrxiv-2025-631fd

Posted

Jan 30, 2025

Kazuki Ishizaki, Toru Asahi, Takuya Taniguchi

Machine Learning-Driven Optimization of Output Force in Photo-Actuated Organic Crystals

10.26434/chemrxiv-2025-9kfw7

Posted

Jan 30, 2025

Yen-Wen Huang, John Torkelson

Catalyst-Free Polyhydroxyurethane Covalent Adaptable Network Exhibiting Full Cross-Link Density Recovery after Reprocessing: Facilitation by Synthesis with Sterically Hindered Secondary Amines

10.26434/chemrxiv-2025-77gn3

Posted

Jan 30, 2025

Luis Kitsu Iglesias, Samuel Marks, Nikhil Rampal, Emma Antonio, Rafael Ferreira de Menezes, Liang Zhang, Daniel Olds, Stephen Weitzner, Kayla Sprenger, Liwen Wan, Michael Toney

Microstructure-Dependent Sodium Storage Mechanisms in Hard Carbon Anodes

10.26434/chemrxiv-2025-btg3j

Posted

Jan 30, 2025

Pradip Maity, Pinku Saikia, M Aarthika, Ayantika Bhattacharjya, Priyam Bajpai, Susmita Maity, Asish Bera, Arindam Saha, Rajesh Gonnade, Kumar Vanka

Chiral Phosphite Mediated Photoredox Catalyzed Aerobic Oxidative DYKAT for C−N Atropoisomers

10.26434/chemrxiv-2025-1l3kn

Posted

Jan 30, 2025

Uncovering the Individual Hydrogen Bond Strengths and Cooperativity in Pure (H2S)n and Mixed (H2O)m(H2S)n (m + n = 2 to 8) Clusters

Deepak Patkar

10.26434/chemrxiv-2025-gwdd6

Posted

Jan 30, 2025

Benedikt Nißl, Marcel Mülbaier, Francesca Grisoni, Dirk Trauner, Marcel Bermúdez, Clemens Dialer, David Konrad

The Chemistry and Biology of the Tetrodotoxin Natural Product Family

10.26434/chemrxiv-2025-vt7tq

Posted

Jan 30, 2025

Miguel Angel Chacon Teran, Kotono Babaguchi, Michael Findlater

Electron-rich Bis(imino)acenaphthene ligands enable bench-stability on zero-valent Nickel

10.26434/chemrxiv-2025-xw3wb

Posted

Jan 30, 2025

Ahmed Abdelhamid, Aitor Alvarez, Loubna Laib, Pascal Clerc, Manuel Ceballos, Justine Journaux, Anil Misra, Mohammad S Alavijeh, Géraldine Ballon, Corinne Bousquet, Beatriz Pelaz, Pablo del Pino, Julian Carrey, Véronique Gigoux

Magnetic Field-Induced Drug Delivery from ZIF-8 Metal-Organic Frameworks-Based Nanocomposites through Magnetic Nanoparticles Heating or Motion

10.26434/chemrxiv-2025-ll55t

Posted

Jan 30, 2025

Yen-Wen Huang, Mathew Suazo, Stephanie Barbon, Hayley Brown, Evelyn Auyeung, Colin Li Pi Shan, John Torkelson

Polypropylene covalent adaptable networks with full cross-link density recovery after reprocessing: Development by free-radical reactive processing with resonance-stabilized, aromatic disulfide cross-linkers

10.26434/chemrxiv-2025-wtwml

Posted

Jan 30, 2025

Daniel Boas, Meital Reches

Tailoring Peptide Coacervates for Advanced Biotechnological Applications: Enhancing Control, Encapsulation, and Antioxidant Properties

10.26434/chemrxiv-2025-h3vxn

Posted

Jan 30, 2025

Sukanya Das, Sagar Bag, Md Abbasuddin Sk, Priyankar Majumdar, Uttam Kumar Das, Sudipta Bhowmik, Raj Kumar Nandi

Uracil-BX: A New Class of Cyclic Hypervalent Iodine Reagents for Unraveling Approach Towards Umpolung Functionalization and VEGF G-Quadruplex DNA Identification

10.26434/chemrxiv-2025-tn425

Posted

Jan 30, 2025

Clara Douglas, Niklas Grabicki, Nils Trapp, Lukas Husarich, Josefine Sprachmann, Oliver Dumele

Bending Diamondoids: Strained [3]Cyclo(4,9-diphenyldiamantylene)

10.26434/chemrxiv-2025-g2q4q

Posted

Jan 30, 2025

Matthew Burton, Ben Jagger, Yi Liang, Joshua S. Gibson, Jack Aspinall, Jack E. N. Swallow, Robert S. Weatherup, Mauro Pasta

The Role of Phosphorous in the Solid Electrolyte Interphase of Argyrodite Solid Electrolytes

10.26434/chemrxiv-2024-1727n-v2

Posted

Jan 30, 2025

Laura S. Junkers, Susanne L. Skjærvø, Olivia Aalling-Frederiksen, Caroline Tynell Hansen, Mikkel Juelsholt, Niels Lefeld, Rebecca Pittkowski, Nicolas P. L. Magnard, Andrea Kirsch, Kirsten Marie Ørnsbjerg Jensen

Linking transition metal molybdate formation to polyoxometalate and chloride complex speciation: An in situ X-ray total scattering study

10.26434/chemrxiv-2025-tjp5z

Posted

Jan 30, 2025

Suman Dana, Neeraj Kumar Pandit, Philipp Boos, Tristan von Münchow, Sven Erik Peters, Sven Trienes, Laura Haberstock, Regine Herbst-Irmer, Dietmar Stalke, Lutz Ackermann

Parametrization of κ2-N,O-Oxazoline Preligands for Enantioselective Cobaltaelectro-catalyzed C−H Activations

10.26434/chemrxiv-2025-8zr6h

Posted

Jan 30, 2025

Rebekah Duke, Chih-Hsuan Yang, Baskar Ganapathysubramanian, Chad Risko

Evaluating molecular similarity measures: Do similarity measures reflect electronic structure properties?

10.26434/chemrxiv-2025-9zrh0

Posted

Jan 30, 2025

Thabiso Kunene, Juan Pablo Vizuet, Matthew Klenk, Peter Zapol, Ksenija Glusac, Alex Martinson

Vapor Phase Installation of CpCo(CO)2 in MOF-808

10.26434/chemrxiv-2025-q762k

Posted

Jan 30, 2025

Libat Weiss, Ivan Zlotver, Diana Solovyov, Alejandro Sosnik

Hybrid Amorphous Titanium Dioxide/Amphiphilic Graft Copolymer Nano-Sonosensitizers

10.26434/chemrxiv-2025-l0vj8

Posted

Jan 30, 2025

Thomas Czyszczon-Burton, Sawyer Lazar, Zelin Miao, Michael Inkpen

Single-molecule junctions formed using different electrode metals under an inert atmosphere

10.26434/chemrxiv-2025-8dzjk

Posted

Jan 30, 2025

Dávid Mester, Peter R. Nagy, József Csóka, László Gyevi-Nagy, P. Bernát Szabó, Réka A. Horváth, Klára Petrov, Bence Hégely, Bence Ladóczki, Gyula Samu, Balázs D. Lőrincz, Mihály Kállay

An overview of developments in the MRCC program system

10.26434/chemrxiv-2025-bdhwf

Posted

Jan 30, 2025

Yash Mishra, Hari Mahalingam

Exploring the Synergy of B, Ce, Ag Dopants in Ternary doped Titanium Dioxide Multifunctional Photocatalysts for Antibiotic Ampicillin Degradation and Degradation Under Solar Light

10.26434/chemrxiv-2025-9b1c5

Posted

Jan 30, 2025

Aoyuan Cheng, Xuewen Gu, Chengze Yang, Mei Liu, Baicheng Zhang, Hongping Liu, Xiaoyu Chen, Airong Feng, Jun Jiang, Yi Luo, Pieter E. S. Smith, Wenhuan Huang, Guoqing Zhang

Rapid photoluminescence “turn-on” sensing of tertiary amines and opioids via dual-emissive ground and excited charge-transfer states

10.26434/chemrxiv-2025-vjjxw

Posted

Jan 30, 2025

Vadim Szejko, Iwona Justyniak, Maria Jędrzejewska, Grzegorz Jędrzejczyk, Thea-Luise Precht, Adam Kubas, Andrew E. H. Wheatley, Janusz Lewiński

Luminescent Alkylaluminium Anthranilates Reaching Unity Quantum Yield in the Condensed Phase

10.26434/chemrxiv-2025-jwhpl-v2

Posted

Jan 30, 2025

Philipp Boos, Neeraj Kumar Pandit, Suman Dana, Tristan von Münchow, Airu Hashidoko, Laura Haberstock, Regine Herbst-Irmer, Dietmar Stalke, Lutz Ackermann

Multiple Atropo Selectivity by κ2-N,O-Oxazoline Urea Ligands in Cobaltaelectro-Catalyzed C–H Activations: Decoding Selectivity with Data Science Integration

10.26434/chemrxiv-2025-7h5k4

Posted

Jan 30, 2025

Chuchu Chen, Yonghao Fu, Yun Liu, Yuehe Lin, Dan Du, Kaiyan Qiu

3D-printed biocompatible hollow microneedle-based electrochemical sensor for wireless glucose monitoring

10.26434/chemrxiv-2025-gv8xt

Posted

Jan 30, 2025

Life Sciences

Registered Report Protocol

From observation to operation: the role of lab spaces in Biodesign practice - Appendix

Julia Ihls, Barbara Pollini

Posted

Jan 30, 2025

10.33774/coe-2025-ww7b0

The Political Economy of Military Objectives

Max Plithides

10.33774/apsa-2024-1kzlc-v2

Posted

Jan 30, 2025

SURAJIT SINHA, Arnab Das, Subhamoy Pratihar, Swrajit Nath Sharma, Jayanta Kundu

Solid Phase Synthesis of Casimersen and Its 3ʹ-end Modification for Therapeutic Benefits

10.26434/chemrxiv-2025-mf99n

Posted

Jan 31, 2025

Anh Tuan Ngo, David Aguilà, João Pedro Vale, Semih Sevim, Michele Mattera, Ramón Pons, Guillem Aromí, Bumjin Jang, Salvador Pané, Tiago Sotto Mayor, Mario Palacios-Corella, Josep Puigmartí-Luis

On-the-fly synthesis of freestanding spin-crossover architectures with tunable magnetic properties

10.26434/chemrxiv-2025-h92dd

Posted

Jan 31, 2025

Naoyuki Nishimura, Ranjan Kumar Behera, Daisuke Kubota, Hiroyuki Kanda, Kohei Yamamoto, Hiroyuki Yaguchi, Takurou N. Murakami, Hiroyuki Matsuzaki

Differentiation Between Bulk and Interfacial Properties: Analysis of Time-Dependent Carrier Injection in Perovskite Solar Cells

10.26434/chemrxiv-2025-652kn

Posted

Jan 31, 2025

Martijn I. Gobes, Sam A. Kuijpers, Camilla Terenzi, Ruud van der Sman, John P.M. Duynhoven, Johannes Hohlbein

Rotated Fourier transform (RFT) enables the quantification of anisotropic structure in high-moisture plant-protein extrudates

10.26434/chemrxiv-2025-g0rcx

Posted

Jan 31, 2025

Jeffry Setiadi, Frank Biedermann, Werner Nau, Michael K. Gilson

On the Thermodynamics of Water Displacement from Binding Sites and its Contributions to Supramolecular and Biomolecular Affinity

10.26434/chemrxiv-2025-02wrf

Posted

Jan 31, 2025

Siddhartha Banerjee, Sagnik Chakrabarti, Bailey Bouley, Amy Wahlmeier, Liviu Mirica

Mononuclear Palladium(I) and Palladium(III) Coordination Compounds

10.26434/chemrxiv-2025-0rktw

Posted

Jan 31, 2025

Alina Kleindienst, Emmanuel Tessier, Johannes Bieser, Natalia Torres-Rodríguez, Océane Asensio, Aurélie Dufour, Claire Gassie, Lars-Eric Heimbürger-Boavida, Rémy Guyoneaud, David Amouroux

Incubation Experiments, Observations and Modeling Highlight the Key Role of Dimethylmercury on Seawater Methylmercury Distributions

10.26434/chemrxiv-2025-7ps10

Posted

Jan 31, 2025

Akinobu Nakada, Shunsuke Asai, Chen Zhang, Kotaro Ishihara, Hajime Suzuki, Osamu Tomita, Akinori Saeki, Ryu Abe

Strong impacts of inter-π-chain charge transfer accelerating CO2 reduction photocatalysis of carbazole–diimine-based linear conjugated polymer/Ru complex hybrids

10.26434/chemrxiv-2025-qwj95

Posted

Jan 31, 2025

Laurent Sévery, Emmanuel Nicolas, Alexis Mifleur, Thibault Cantat

Experimental evaluation of the hydricity of hydrosilanes

10.26434/chemrxiv-2025-rmksd

Posted

Jan 31, 2025

Paramesh Das, Amar Ghosh, Kalpita Baruah, Debashree Borah, Bani Sarma

Nature-Inspired C-terminus Modification of Oligo-prolines to Stabilize PPII Helix

10.26434/chemrxiv-2025-8dbck

Posted

Jan 31, 2025

In Silico Analysis of 6-Gingerol for Antifungal Efficacy Against Candida albicans

TANZIM AHMED

10.26434/chemrxiv-2025-187x2-v2

Posted

Jan 31, 2025

Emanuel Joseph, Lea H. Kunze, Rebecca Schaefer, Giovanna Palumbo, Benjamin Kugelmann, Stephan Wagner, Sven Lammich, Regina Feederle, Michael Willem, Rudolf A. Werner, Matthias Brendel, Simon Lindner

Design, Synthesis and Preclinical Evaluation of a brain-permeable PET Tracer for P2Y12R Imaging in the Brain

10.26434/chemrxiv-2025-5461s-v2

Posted

Jan 31, 2025

Teagan Horan, Samantha Romanick, Gregory Madejski, Ahmet Gurcan, James McGrath, James Roussie, Kathryn Neville

A Silicon Nanomembrane Analysis Pipeline (SNAP) for Multimodal Analysis of Microplastics in Drinking Water

10.26434/chemrxiv-2025-0277f-v2

Posted

Jan 31, 2025

Tarek El Sayed, Karna Terpstra, Jennifer Whetter, Kerui Xu, Lingyang Zhu, Sagnik Chakrabarti, Axia Marlin, Andrew Wessel, Shreyan Majumdar, Bradley Sutton, Eszter Boros, Liviu Mirica

Pyridinophane Ligands: An Attractive Chelator Platform for Mn-Based Imaging Agents

10.26434/chemrxiv-2025-snpm4

Posted

Jan 31, 2025

Bingyuan Zhao, Aiganym Yermembetova, Benson Tsai, Jialong Huang, Alexander Wei

Scalable manufacturing of radiation-tolerant potentiometric electrodes: A systematic transition from laboratory to semi-automated fabrication

10.26434/chemrxiv-2025-zrrlc

Posted

Jan 31, 2025

Rukon Uddin, Subarata Bhowmik

Physical Parameters Optimization for Cost Minimization of Perovskite Solar Cell with Inexpensive HTM, ETM and Back Contact Material

10.26434/chemrxiv-2025-hp665

Posted

Jan 31, 2025

Kavita Iyer, Rumiana Tenchov, Leilani Lotti Diaz, Preeti Jain, Trupti Thite, Yi Deng, Qiongqiong Zhou

CRISPR in therapeutics and diagnostics: Perspectives from landscape analysis

10.26434/chemrxiv-2025-0qk09

Posted

Jan 31, 2025

Jiyoung Lee, Logan Augustine, Graeme Henkelman, Ping Yang, Danny Perez

Data-Driven Kinetic Reaction Networks for Separation Chemistry

10.26434/chemrxiv-2025-g7gp3

Posted

Jan 31, 2025

Jacopo Lupi, Bernardo Ballotta, Leandro Ayarde-Henríquez, Stephen Dooley

Xylopyranose ring‐opening by single and double proton transfers under pyrolysis conditions

10.26434/chemrxiv-2025-gwx6v

Posted

Jan 31, 2025

Alena Winter, Juliane Lange, Farzad Hamdi, Panagiotis Kastritis, Frederik Haase

Evidence Of Heteroepitaxy and Solid Solutions in lattice matched ternary COF Systems

10.26434/chemrxiv-2025-76z5m

Posted

Jan 31, 2025

Lauren McNamara, Aimei Zhou, Sophie Anferov, Matthew Krzyaniak, Michael Wasielewski, Lei Sun, Jan-Niklas Boyn, Richard Schaller, John Anderson

Above the energy gap law: Heavy chalcogenide substitution in NIR II-emissive diradicaloid qubits

10.26434/chemrxiv-2025-9xk7r

Posted

Jan 31, 2025

Empirical Research on Utilizing LLM-based Agents for Automated Bug Fixing via LangGraph

Jialin Wang, Zhihua Duan

Posted

Jan 31, 2025

10.33774/coe-2025-jbpg6

No-Go Theorem Requires Modification: An Additional Constant Term $C$ and Its Laurent Series Structure in f(R) gravity

WEN-XIANG CHEN

10.33774/coe-2025-rgfq2-v2

Posted

Jan 31, 2025

Ben Huntsman, Linda Vogt, Clinton Kidman, Julien Cotelesage, Dimosthenis Sokaras, Thomas Kroll, Ingrid Pickering, Graham George

Importance of self-absorption correction for HERFD-XAS of concentrated samples

10.26434/chemrxiv-2025-w64t8

Posted

Jan 31, 2025

Huat Thart Chiang, Zhiyin Zhang, Kiran Vaddi, Akif Tezcan, Lilo Pozzo

Efficient Analysis of Small-Angle Scattering Curves for Large Biomolecular Assemblies Using Monte Carlo Methods

10.26434/chemrxiv-2025-68833

Posted

Jan 31, 2025

Priyanshu Singh, Peter A. Korevaar

Predator-prey behavior of droplets propelling through self-generated channels in crystalline surfactant layers.

10.26434/chemrxiv-2025-hmhvn

Posted

Jan 31, 2025

Alexander E. Barnes, Stephanie Lambie, Nicola Gaston

Trends in the electronic and geometric structures of doped two-dimensional quasi-hexagonal C60

10.26434/chemrxiv-2025-6zm79

Posted

Jan 31, 2025

Nuno Manuel Xavier, Jennifer Szilagyi, Tânia Moreira, Rafael Santana Nunes, Joana Silva, Celso Celso Alves, Alice I. Martins, Rebeca Alvariño, Niels V. Heise, René Csuk

5'-Guanidino Xylofuranosyl Nucleosides as Novel Types of 5'-Functionalized Nucleosides with Therapeutic Potential

10.26434/chemrxiv-2025-5tk44

Posted

Jan 31, 2025

Haote Li, Sumon Sarkar, Wenxin Lu, Patrick Loftus, Tianyin Qiu, Yu Shee, Abbigayle Cuomo, John-Paul Webster, H. Ray Kelly, Vidhyadhar Manee, Sanil Sreekumar, Frederic Buono, Robert Crabtree, Timothy Newhouse, Victor Batista

Collective Intelligence of Specialized Language Models Guides Realization of de novo Chemical Synthesis

10.26434/chemrxiv-2025-dc28b

Posted

Jan 31, 2025

Espen Haug, Stephane Wojnow

Application of the Ideal Gas Law to the Hubble Sphere Leads to a New Hubble Sphere Radiation Pressure Law

Posted

Jan 31, 2025

10.33774/coe-2025-zwj7p

Bruce Palmer, Pauline Simonnin, Jaehun Chun

A spline-based method to obtain spatially dependent viscosity in confined flows

10.26434/chemrxiv-2025-qzmx9

Posted

Jan 31, 2025

Yu Liu, Terry Frankcombe, Timothy Schmidt

Energetics of Covalent Bonding from Wave Function Tiles

10.26434/chemrxiv-2025-l49g4

Posted

Jan 31, 2025

Atanu Roy, Arup Chakraborty, Geetha Valurouthu, Yuan Zhang, Gil Bergman, Netanel Shpigel, M Saiful Islam, Daniel Mandler, Yury Gogotsi

Suppression of Halide Ions Crossover in Zn-halide Batteries by 2D MXene Membranes

10.26434/chemrxiv-2025-km8pw

Posted

Jan 31, 2025

Oleg Borodin, Matthias Schmid

Parallel and flow photoredox chemistry enabled by advanced temperature-controlled photoreactors

10.26434/chemrxiv-2025-t6pdx

Posted

Jan 31, 2025

Debanjan Bagchi, Avijit Maity, Khushwant Saini, Huma Tabassum, Priyanka Nath, Sachin Vishwakarma, Anjan Chakraborty

Visual monitoring of biomolecular self-assembly dynamics and imaging of protein aggregates by distinct emission of a unique hydrophobic carbon dot

10.26434/chemrxiv-2025-v5z81

Posted

Jan 31, 2025

Yash Mishra, Kedarnath Senapati

Deep Learning-based Image Caption Generator for Real-time Monitoring and Predictive Control of Concentration of Polluting gases

10.26434/chemrxiv-2025-45zp2

Posted

Jan 31, 2025

Yash Mishra, Hari Mahalingam

Photocatalytic Degradation of Ampicillin Under Sunlight Using a Boron Cerium and Silver Ternary Doped Titanium Dioxide Catalyst Synthesized via the EDTA-Citrate Method

10.26434/chemrxiv-2025-kc0ns

Posted

Jan 31, 2025

Dominik Steinmetz, Ansgar Pausch

Novel pseudomomentum-translational sum rule for the molecular Berry curvature

10.26434/chemrxiv-2025-d6hq6

Posted

Jan 31, 2025

Sagnik Chakrabarti, Ju Byeong Chae, Katy Knecht, Nicholas Cedron, Liviu Mirica

Catalytically Competent Nickel(I)-Isocyanide Compounds

10.26434/chemrxiv-2025-nn2x2

Posted

Jan 31, 2025

Taline Kerackian, Clément Wespiser, Matthieu Daniel, Eric Pasquinet, Eugénie Romero

Investigation of Arenes and Heteroarenes Nitration supported by High-Throughput Experimentation and Machine Learning

10.26434/chemrxiv-2025-5t1h2-v2

Posted

Jan 31, 2025

Yunyun Gu, Max Lennart Feuerstein, Benedikt Warth

High-Throughput Solid Phase Extraction for Targeted and Non-Targeted Exposomics

10.26434/chemrxiv-2024-2gsrn-v3

Posted

Jan 31, 2025

Christian Pfaendner, Viktoria Korn, Pritom Gogoi, Benjamin Unger, Kristyna Pluhackova

ART-SM: Boosting Fragment-based Backmapping by Machine Learning

10.26434/chemrxiv-2024-mcv45-v2

Posted

Jan 31, 2025

Shounak Nath, Leonel Griego, Liviu Mirica

The Mechanism of Acetyl-CoA Synthase Through the Lens of a Nickel Model System

10.26434/chemrxiv-2025-4zxqp

Posted

Jan 31, 2025

Social Science Research Methods

Poster

Economics of One Health, "Synergizing economic forces: Strategies for sustainable development” Kenyan case study

Naomi Ngaruiya, Henry Musembi

Posted

Jan 31, 2025

10.33774/coe-2025-71m4t

Timothy Bynion, Jennifer Victor

Teaching Research Methods through Residential Learning Communities

Posted

Jan 31, 2025

10.33774/apsa-2025-gjmz0

Learning by Doing: Challenging but Successful

Sue Ann Skipworth

Posted

Jan 31, 2025

10.33774/apsa-2025-c9qrs

Revisiting Partisan Politics of Environmental Policy: How Labour Market Outsiders Weaken Left-wing Governments’ Eco-friendliness

Junpei Suzuki

10.33774/apsa-2024-9cfm3-v2

Posted

Jan 31, 2025

Designing and Implementing Challenge-Based Learning in Public Policy Courses

Fanny Lauby

Posted

Jan 31, 2025

10.33774/apsa-2025-gxvb7

Broad Inclusion, Deep Engagement: Teaching with Critical Content and AI

Daniel Kirsch, Rong Zhu

Posted

Jan 31, 2025

10.33774/apsa-2025-j79wn

Douglas Cantor, Stacey Greene

The Classroom on Trial: Sending Undergraduates to Court

Posted

Jan 31, 2025

10.33774/apsa-2025-w4k1f

Justin Crofoot, Rolfe Peterson

Pedagogical Benefits of Exit Polling

Posted

Jan 31, 2025

10.33774/apsa-2025-d6zg5

From Poll Workers to Defenders: Student Poll Workers as Catalysts for Change?

Kevin Lorentz

Posted

Jan 31, 2025

10.33774/apsa-2025-qh9j2

Grading Liberation: How I learned to love reflective assessment

Eric Leonard

Posted

Jan 31, 2025

10.33774/apsa-2025-1tt6x

Emily Dunlop, Christopher Way

From Chalkboards to ChatGPT: Trends and the Future of Active Learning in Political Science Classrooms

Posted

Jan 31, 2025

10.33774/apsa-2025-cb96c

Emily Dunlop, Christopher Way

Playing Politics? A Meta-Analysis on Active Learning in Political Science Classrooms