Archive | Cambridge Open Engage

Ehab Abdu, Ahood Mahjari, Ezzularab Alshobi

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

10.33774/coe-2025-w25nn-v2

Posted

Aug 01, 2025

Mahesh Bhagwan Thoke, Anupam Das, Deep S. Kulkarni, Nitin T. Patil

Counterion-Enabled Divergent Reactivity in Dinuclear Gold Photoredox Catalysis

10.26434/chemrxiv-2025-8jh3b

Posted

Aug 01, 2025

Denis Tikhonov, Robin Santra

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

10.26434/chemrxiv-2025-p9hk7

Posted

Aug 01, 2025

Vladislav Mints, Kanyapat Plub-in, Maria-Magdalena Titirici, Anna Hankin, Ifan Stephens

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

10.26434/chemrxiv-2025-kxg13

Posted

Aug 01, 2025

Maru Song, Giovanni Li Manni

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

10.26434/chemrxiv-2025-7t6r0

Posted

Aug 01, 2025

Suong Tran, Kat Usavage, Claire Choplick, Grace Helton, Lila Halbers, Brenden Young, Jennifer Prescher, Colin Rathbun

Semisynthetic, multicolor probes for bioluminescence imaging.

10.26434/chemrxiv-2025-gvgv1

Posted

Aug 01, 2025

Atanu Hazra, Marisa Organiscak, Long Luo

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

10.26434/chemrxiv-2025-37fbl

Posted

Aug 01, 2025

Michael Ringleb, Alexander Eith, Stefan Zechel, Ulrich Schubert, Kevin Jablonka, Jacob Schneidewind

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

10.26434/chemrxiv-2025-s9txt

Posted

Aug 01, 2025

RFdiffusion-peptides targeting Listeria prfA dimer-interfaces

julio coll

10.26434/chemrxiv-2025-p27lh

Posted

Aug 01, 2025

Davis Curry, Fynn Cooper, Natalie Lind, Colleen Thach, Celine Khalife, James Blakemore

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

10.26434/chemrxiv-2025-2n8bq

Posted

Aug 01, 2025

Sujon Kumar Mitro, Jakob Brauer, Michael Fischer

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

10.26434/chemrxiv-2025-4prb2

Posted

Aug 01, 2025

Aruto Akatsuka, Minh Anh Truong, Atsushi Wakamiya, Gaurav Kapil, Shuzi Hayase, Hiroyuki Yoshida

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

10.26434/chemrxiv-2025-s0bc9

Posted

Aug 01, 2025

Alibasha Akbar, Mihir Ghosh

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

10.26434/chemrxiv-2025-p74jj

Posted

Aug 01, 2025

Dan Zhang, Zeyi Zhang, Lingshen Meng, Carlos A. Triana, Shangkun Li, Hang Chen, Yiming Li, Greta R. Patzke

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

10.26434/chemrxiv-2025-cmtz2

Posted

Aug 01, 2025

James Lawrence, Luka Đorđević, Fabienne Bachtiger, Harry Pinfold, Marc Walker, Jiong Lu, Gabriele Sosso, Davide Bonifazi, Giovanni Costantini

Ultra-narrow donor-acceptor nanoribbons

10.26434/chemrxiv-2025-sxqcv

Posted

Aug 01, 2025

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

Serge Dolgikh

Posted

Aug 01, 2025

10.33774/coe-2025-pk0bx

Lukas Lampe, Takeshi Yanai, Johannes Neugebauer

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

10.26434/chemrxiv-2025-x6c3j

Posted

Aug 01, 2025

Lingshen Meng, Zeyi Zhang, Carlos A. Triana, Aaron A. Schultz, Hang Chen, Dan Zhang, Greta R. Patzke

Ligand-substituted inorganic-organic hybrid materials for efficient urea-assisted electrocatalytic water splitting

10.26434/chemrxiv-2025-86fkl

Posted

Aug 01, 2025

Antoine Gamet, Ismaila Ciss, Arthur Courtois, Benjamin Joyeux, Alexis M. Gautreau, Stéphane Romero, Christophe Le Clainche, Bastien Nay

Total Synthesis of Photoswitchable Latrunculin B Enables Reversible Inhibition of Actin Polymerization and Cell Migration

10.26434/chemrxiv-2025-1grsk

Posted

Aug 01, 2025

Sara Talebi Deylamani, Zsofia Bognar, Sune M. Christensen, Sonja Salmon, Stig Helveg, Joerg R. Jinschek

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

10.26434/chemrxiv-2025-035z4

Posted

Aug 01, 2025

Pietro Agola, Marco Taddei

A water-based synthetic route to metal-organic framework UiO-66 starting from PET-derived terephthalate esters

10.26434/chemrxiv-2025-b7q8c

Posted

Aug 01, 2025

Daniel Platero-Rochart, Pedro Alejandro Sánchez-Murcia

SmarTSzyme: biasing the mutational landscape in enzymes with QM/MM and chemical dynamics to manipulate catalytic activity

10.26434/chemrxiv-2025-0g7l5

Posted

Aug 01, 2025

Yueying Wang, Yessica Nelson, Daniel Torres Pomares, Cecilia McCormick, Tyler Kerr, Milan Gembicky, Alexander Spokoyny

Vertex Engineering of the Dodecaborate-Based Broadband Membrane Carriers

10.26434/chemrxiv-2025-93z1s

Posted

Aug 01, 2025

Shun Dekura, Motohiro Mizuno, Hatsumi Mori

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

10.26434/chemrxiv-2025-vq0z9

Posted

Aug 01, 2025

Sachini Rodrigo, Melanie Sanford, Long Luo

Electrochemical Trifluoromethylchlorosulfonylation of Alkenes via Copper-Mediated SO₂Cl Radical Transfer

10.26434/chemrxiv-2025-k60hb

Posted

Aug 01, 2025

Shunsuke Konrai, Ma-aya Takano, Manabu Abe, Hiroyasu Sato, Ryohei Kishi, Takashi Kubo, Tomohiko Nishiuchi

Photochemical and Thermal Concerted 1,3-Sigmatropic Rearrangements of a π-Extended Methylenecyclopropane

10.26434/chemrxiv-2025-m4pbn

Posted

Aug 01, 2025

Guoqing Zhang, Nicholas W. See, Norbert Wimmer, Michael J. Godinez, Scott A. Cameron, Richard H. Furneaux, Vito Ferro

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

10.26434/chemrxiv-2025-hcgb7

Posted

Aug 01, 2025

Jenna Bustos, Ian Colliard, Vitalie Stavila, May Nyman, Gauthier Deblonde

Plutonium and other tetravalent metals complexed to a Keggin polyoxometalate

10.26434/chemrxiv-2025-sp58d

Posted

Aug 01, 2025

Cécilia Hognon, Ameni Ben Abdeljaoued, Pierre Hardouin, Mélanie Etheve-Quelquejeu, Bruno Sargueil, Damien Laage, Elisa Frezza

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

10.26434/chemrxiv-2025-2thnz-v2

Posted

Aug 04, 2025

Peiguan Sun, Matthew Golder

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

10.26434/chemrxiv-2025-f3bsq

Posted

Aug 04, 2025

Bhupalee Kalita, Roman Zubatyuk, Dylan M. Anstine, Maike Bergeler, Volker Settels, Conrad Stork, Sebastian Spicher, Olexandr Isayev

AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell Chemistry

10.26434/chemrxiv-2025-kdg6n

Posted

Aug 04, 2025

Rin Higuchi, Satsuki Obara, Tomoko Kikuchi, Saori Yasuda, Tatsuya Ikenoue, Yusuke Ohsaki, Hitoshi Shirakawa, Shinichi Sato, Shusuke Tomoshige, Minoru Ishikawa

Single-step Tyrosine-selective Pseudo-glycosylation of Aggregation-Prone Native Proteins Enhances Aggregation Resistance

10.26434/chemrxiv-2025-68w7z

Posted

Aug 04, 2025

Riya Singh, Aryan Amit Barsainyan, Rida Irfan, Connor Joseph Amorin, Stewart He, Tony Davis, Arun Thiagarajan, Shiva Sankaran, Seyone Chithrananda, Walid Ahmad, Derek Jones, Kevin McLoughlin, Hyojin Kim, Anoushka Bhutani, Shreyas Vinaya Sathyanarayana, Venkat Viswanathan, Jonathan E. Allen, Bharath Ramsundar

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

10.26434/chemrxiv-2025-4glrl-v2

Posted

Aug 04, 2025

Bryce Tu Chi, Stephanie Fulcar, Jonathan Ipe, Olivia Schleifer, Rohan Subramanian, Claire Vlases, Naim Matasci, Konstantia Georgouli, Loïc Pottier, Tim Hsu, Timothy Carpenter, Dwight Nissley, Felice Lightstone, Frederick Streitz, Helgi Ingólfsson, Fikret Aydin

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

10.26434/chemrxiv-2025-r4ws7

Posted

Aug 04, 2025

Valentin Hérault, Eddy Foy, Émeline Charon, Gaëtan Touzé, Céline Cau Dit Coumes, Stéphane Poyet, Corinne Chevallard, Mark A. Levenstein

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

10.26434/chemrxiv-2025-k90c5

Posted

Aug 04, 2025

Anna de Vries, Lisa Rueben, Philipp Rehner, Hendrik Schricker, Laura Henz, Hippolyte Robin, André Bardow, Maria R. Lukatskaya

Light-driven CO2 capture with photoacids from concept to scalable technology

10.26434/chemrxiv-2025-q4h7c

Posted

Aug 04, 2025

Chang-Hui Liu, Su-Yang Xu, Xue-Ting Li, Heng Liu, Hao Zheng, Qing-An Chen

Electrochemically Driven Bromochlorination of Alkenes

10.26434/chemrxiv-2025-csv1z

Posted

Aug 04, 2025

Elena Spezzani, Luca Capelli, Denise Di Lena, Alejandro Chamorro-Garcia, Rudy Ippodrino, Alessandro Porchetta, Alessandro Bertucci

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

10.26434/chemrxiv-2025-00sm2

Posted

Aug 04, 2025

Luca Bonfirraro, Oskar Weser, Maru Song, Giovanni Li Manni

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

10.26434/chemrxiv-2025-hn9s6

Posted

Aug 04, 2025

Yizhou Ma, Deniz Turan, Maarten Schutyser

Evaluating Physics-Informed Neural Networks for Food Kinetic Modeling

10.26434/chemrxiv-2025-t2r5k

Posted

Aug 04, 2025

Raul Losantos, Giacomo Prampolini, Antonio Monari

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

10.26434/chemrxiv-2025-10mrj

Posted

Aug 04, 2025

Wei Liu, Sihong Wang, Juan J. de Pablo, Cheng Zhang, Zhiming Zhang, Yang Li, Shinya Wai, Aikaterini Vriza, Yahao Dai, Glingna Wang, Yunfei Wang, Benjamin T. Diroll, Naisong Shan, Songsong Li, Du Chen, Peijun Guo, Chenhui Zhu, Jie Xu

Enabling efficient electron injection in stretchable OLED

10.26434/chemrxiv-2025-f5tpt

Posted

Aug 04, 2025

Jing-yuan Zhuang, Yu Zhou, Lyu Zhen, Qiu Peng, Ting Wang, Gui-Juan Cheng

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

10.26434/chemrxiv-2025-qghd4

Posted

Aug 04, 2025

Muhammad Roy Asrori, Mailinda Ayu Hana Margaretha, Siti Khoirunnisa, Deni Ainur Rokhim, Suharti Suharti, Surjani Wonorahardjo

Technical treatments of Antioxidant Test with DPPH Method affecting IC50 value

10.26434/chemrxiv-2025-9bjzk-v2

Posted

Aug 04, 2025

Marcus Brady, Rachel Crespo-Otero

Is MRSF-TDDFT Suitable for Cyclobutanone Dynamics? The Role of Higher Energy States in Surface Hopping Simulations

10.26434/chemrxiv-2025-j2rv7

Posted

Aug 04, 2025

Yuze Hao, Lan Duo, Jinlu He

Autonomous Materials Synthesis Laboratories: Integrating Artificial Intelligence with Advanced Robotics for Accelerated Discovery

10.26434/chemrxiv-2025-fk3r7

Posted

Aug 04, 2025

Thomas Hasiweder, Alec LaGrow, Luis Ono, Dilip Pandey, Aleksandr Sorvanov, Julia Khusnutdinova

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

10.26434/chemrxiv-2025-61208

Posted

Aug 04, 2025

Sara Scalia, Marco Cappa, Lorenzo Rovigatti, Erica Del Grosso, Francesco Ricci

Immune-induced antibody-DNA hybrid condensates

10.26434/chemrxiv-2025-d5h0s

Posted

Aug 04, 2025

Henok Abebe, Dagne Addisu, Getachew Terefe, Desie Shiferaw, Salah Sheriff

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

10.26434/chemrxiv-2025-33k69

Posted

Aug 04, 2025

Shenwei Chen, Haiwei Wang, Lixia Kang, Ran Chen, Zhaokun Wang, Suya Dai, Xiang Zhang, Yongjie Chen, Yucheng Song, Cunfeng Zheng, Zechao Yang, Zengfu Ou, Jin Li, Hongbing Ji

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

10.26434/chemrxiv-2025-mhvdb

Posted

Aug 04, 2025

Bence Balázs Mészáros, Ádám Dudás, András Preszner, Gábor Sztanó, Bálint Csesztregi, Csenge Horváth, Pál Szabó, János Daru, Tibor Soós

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

10.26434/chemrxiv-2025-lnvc3-v2

Posted

Aug 04, 2025

Jiajing Li, Isaiah Betinol, Junshan Lai, Soresu Juyo, Jolene Reid

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

10.26434/chemrxiv-2025-wftzz

Posted

Aug 04, 2025

Mark Stephan Edward Hardmeier, Karolina Dziemidowicz, Gareth R. Williams, Gemma-Louise Davies

Glucosamine and galactosamine functionalised silica nanoparticles for the targeting of glycoproteins

10.26434/chemrxiv-2025-pmc69

Posted

Aug 04, 2025

Chen-Yan Cai, Chao Hu, Rohan Merchant, Tian Qin

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

10.26434/chemrxiv-2025-jv72f

Posted

Aug 04, 2025

Nikesh Dewangan, Indrani Das Jana, Priyaraj Pal, Arindam Mondal, Pradip Kumar Tarafdar

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

10.26434/chemrxiv-2025-s18q1

Posted

Aug 04, 2025

Hong A. Chung, Zachary Fralish, Tiffany Tu, Daniel Reker

Profiling Biological Effects of Microbiome Metabolites via Machine Learning

10.26434/chemrxiv-2025-15mw9

Posted

Aug 04, 2025

Jake Hemsworth, Josef Tomeček, Avantika Hasija, George Whitehead, Nikolas Kaltsoyannis, David Mills, Darren Willcox

Janus-Faced Reactivity of Heterobimetallic Al–Zn Complexes

10.26434/chemrxiv-2025-wzn23

Posted

Aug 04, 2025

Hoda Al Assaad, Khedidja Messabih, Nadia Bendjaballah-Lalaoui, Youcef Boucheffa, Frédéric Thibault-Starzyk, Arnaud Travert

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

10.26434/chemrxiv-2025-p1k9g

Posted

Aug 04, 2025

Creina Slator, Anna Ziemele, Sean Fitzgerald, Aoibhin A. Cullen, Conor Long, Mary T. Pryce, Vickie McKee, Andrew Kellett

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

10.26434/chemrxiv-2025-q28nc-v2

Posted

Aug 04, 2025

Eden Goodwin, Jordan N. Bentley, Maram Bakiro, Mark Aloisio, Justin T. Lomax, Ishwar Singh, Alex J. Veinot, Ahmadreza Nezamzadeh, Paul Ragogna, Cathleen Crudden, Sean T. Barry

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

10.26434/chemrxiv-2025-d12p7

Posted

Aug 04, 2025

A continuous description of different means with application to mixing rules

Uwe Hohm

10.26434/chemrxiv-2025-zhrwr

Posted

Aug 04, 2025

Jeremy Siow, Minh D. Trinh, Tony Zirui Yang

Transnational Propaganda and Ethnic Polarization: Experimental Evidence from Malaysia

Posted

Aug 04, 2025

10.33774/apsa-2025-zqggn

Swapnil Wagle, David Mobley

A Polar Fullerene Model System for Benchmarking Enhanced Sampling of Trapped Waters in Free Energy Calculations

10.26434/chemrxiv-2025-m0dlv

Posted

Aug 04, 2025

Jem Pitcairn, Mario Antonio T. Ongkiko, Peter J. Speakman, Jeremiah P. Tidey, Jack Jordan, Graham N. Newton, J Ross Stewart, Pascal Manuel, Andrew J. Morris, Matthew J Cliffe

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

10.26434/chemrxiv-2025-9z07g

Posted

Aug 04, 2025

Benjamin Réant, William Blackmore, John Seed, Meagan Oakley, Conrad Goodwin

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

10.26434/chemrxiv-2025-m8q8l

Posted

Aug 04, 2025

Arun Moorthy, Christany Liggins, J. Tyler Davidson

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

10.26434/chemrxiv-2025-5thd3

Posted

Aug 05, 2025

Setare Sarhangi, Dmitry Matyushov

Memory Function for Protein Diffusion

10.26434/chemrxiv-2025-h7z76

Posted

Aug 05, 2025

Kayvan Moradi, Marko Melander

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

10.26434/chemrxiv-2025-13r9v-v2

Posted

Aug 05, 2025

Man Him Chak, Laura Wimberger, Bailey Richardson, Natalie Newman, Emma M. V. Johansson, Jake P. Violi, Anna Sokolova, Hendrick Frisch, Felix Rizzuto, William A. Donald, Martina H. Stenzel, Joakim Andréasson, Jonathon Beves

Photoswitchable merocyanine-amphiphiles with programmable self-assembly times

10.26434/chemrxiv-2025-qwl4n-v4

Posted

Aug 05, 2025

Awwal Oladipupo, Isaac Johnson, Opeyemi Adebayo, Fashanu Theophilus, Kingsley Abhulimen

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

10.26434/chemrxiv-2025-vvtwn-v4

Posted

Aug 05, 2025

Jun Seo Park, Donggeon Lee, Dal-Hee Min, Sung Joong Lee

Glioblastoma immunotherapy adjuvants for glial cell polarization reprogramming

10.26434/chemrxiv-2025-m0mdn

Posted

Aug 05, 2025

Muhammad Roy Asrori, Mailinda Ayu Hana Margaretha, Siti Khoirunnisa, Achmad Dzulfikri Almufti Asyhar, Suharti Suharti, Surjani Wonorahardjo

Antioxidant testing using DPPH for Dadap leaves through without extraction stage

10.26434/chemrxiv-2025-m74cr

Posted

Aug 05, 2025

Varun Anand, Ruchir Kant, NAMRATA RASTOGI

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

10.26434/chemrxiv-2025-8tnnn

Posted

Aug 05, 2025

Bo Feng, Yuehao Zhang, Xiaohui Liu, Yanqin Wang

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

10.26434/chemrxiv-2025-jttmq

Posted

Aug 05, 2025

Muyu Lu, Siyu Hu, Chengxi Zhao, Chen Wang, Weile Jia, Guangming Tan, Jun Jiang, Linjiang Chen

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

10.26434/chemrxiv-2025-499st

Posted

Aug 05, 2025

Yein Kim, Minsub Um, Subeom Shin, Hochan Song, Young Ran Park, Jonghee Yang

Understanding Synthesis Space in Ligand-Assisted Reprecipitated CsPb(BrxI1-x)3 Perovskite Nanocrystals

10.26434/chemrxiv-2025-03l07

Posted

Aug 05, 2025

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

Lin-Wang Wang

10.26434/chemrxiv-2025-83grg

Posted

Aug 05, 2025

Asmita Sen, Augustine Obeng, Kurtis Stanistreet-Welsh, Jochen Autschbach

Atomic Orbital Energy Matching vs. Overlap in Actinide-Ligand Dative Bonding

10.26434/chemrxiv-2025-csjxr-v2

Posted

Aug 05, 2025

Andrew Crawford, Laurence Doyle, Samuel Horsewill, William Myers, Daniel Scott, Andrew Ashley

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

10.26434/chemrxiv-2025-80g6n

Posted

Aug 05, 2025

Joulia Housseini, Florian Le Goupil, Kaili Xie, Georges Hadziioannou, Guillaume Fleury

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

10.26434/chemrxiv-2024-rvf5l-v2

Posted

Aug 05, 2025

Thomas Kress, Xinyu Liu, Alexander Forse

Pore Network Tortuosity Controls Fast-Charging in Supercapacitors

10.26434/chemrxiv-2024-rjgwd-v4

Posted

Aug 05, 2025

Douglas Stevens, Christopher Reddy, Cara Megill, Bryan James, Robert Nelson, Frank Dorman

GC-APCI expands the analytical window for detection of large PAHs (> 24 ringed-carbons) in pyroplastics and other environmental matrices

10.26434/chemrxiv-2025-bldwl

Posted

Aug 05, 2025

Tai-Sung Lee, Omid Jahanmahin, Saikat Pal

SAMTI: Sampling Adaptive Thermodynamic Integration for Alchemical Free Energy Calculations

10.26434/chemrxiv-2025-mk6k4

Posted

Aug 05, 2025

Luokun Zhang, S. Hessam M. Mehr

Generation of microstructured composite materials via aerosol conglomeration of polymer particles

10.26434/chemrxiv-2025-hzsnv

Posted

Aug 05, 2025

Ellen van Wijngaarden, Tyrone Chen, Ilana Brito, Nikolaos Bouklas, Andrea Giometto, Meredith Silberstein

Mechanically Driven Bacteria‐Based Crack Detection

10.26434/chemrxiv-2025-65njt

Posted

Aug 05, 2025

Gregory Carroll, Hernan Rengifo, Jose Pelaez, Jeffrey Koberstein

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

10.26434/chemrxiv-2025-mx2s3

Posted

Aug 05, 2025

Rachel Czerwinski, Anna Clayborn, Andrew Boydston, Aaron Hoskins, Randall Goldsmith

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

10.26434/chemrxiv-2025-qm3vv

Posted

Aug 05, 2025

Jan Leppert, Tillman Brehmer, Matthias Wüst

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

10.26434/chemrxiv-2025-76xc0

Posted

Aug 05, 2025

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

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

10.26434/chemrxiv-2025-x8nmm

Posted

Aug 05, 2025

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

Yathu Krishna Y K

10.26434/chemrxiv-2025-vlnlp

Posted

Aug 05, 2025

Riley J. Giesler, Peter C.S. Woodham, Steven R.E. Draper, Paul Spaltenstein, Frank G. Whitby, Christopher P. Hill, Michael S. Kay

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

10.26434/chemrxiv-2025-20r8k

Posted

Aug 05, 2025

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

Vasil Penchev

Posted

Aug 05, 2025

10.33774/coe-2025-0ctx8

Samuel Frank Matinou, Isobel Acquah, Ridwan Oloyede, Arnold Joshua Kabatsi, Prasenjit Mitra, Conrad Tucker

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

10.33774/apsa-2025-8lqpt-v3

Posted

Aug 05, 2025

Christopher Seibel, Jia Hao Soh, Shmuel Zilberg, Anna Krylov

Ultrafast Transversal CISS Effect Observed in a Chiral Photoswitching Molecule

10.26434/chemrxiv-2025-1jsz7-v2

Posted

Aug 05, 2025

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

An Liu, Yang Yang

10.26434/chemrxiv-2025-8h8c2

Posted

Aug 05, 2025

Hannah A. Boesger, Emma Fang, Ralph J. Harte, Arina Koroleva, Taylan Tunckanat, Sean J. Elliott, Mikko Metsä-Ketelä, Sean A. Newmister, David H. Sherman

An Evolutionarily Conserved Protein Fold with Multiple Roles in Anthracycline Biosynthesis

10.26434/chemrxiv-2025-5d9bd

Posted

Aug 05, 2025

Yiwei Zhang, Yuqiu Lan, Rufeng Fan, Lei Feng, Guoliang Wang, Xinyuan Wu, Lulu Wen, Zhiqiang Duan, Yueyue Xia, Xudong Wang, Lu Zhou, Minjia Tan, Cangsong Liao, Xiaojie Lu

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

10.26434/chemrxiv-2025-nln78

Posted

Aug 05, 2025

Alessia Lasorsa, Pieter van der Meulen, Ernst Naumann, Michael Lerch, Maria Marquez Garcia, Xiaohong Lan, Katja Loos, Ben Feringa, Wiktor Szymanski, Patrick van der Wel

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

10.26434/chemrxiv-2025-85n2j

Posted

Aug 05, 2025

Jaicy Vallapurackal, Rajib Mandal, Justin Bossenbroek, Aris Rubio, Ethan Poladian, James Collings, Cesar Torres, Matthew Hendrickson, Julian Morales, Max Lyons, Kyle Schultz, Hannah Shafaat, Kendall Houk, Soumitra Athavale

Biocatalytic, Asymmetric Radical Hydrogenation of Unactivated Alkenes

10.26434/chemrxiv-2025-92d97

Posted

Aug 05, 2025

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

Ashish Garg

10.26434/chemrxiv-2025-dpptg-v2

Posted

Aug 06, 2025

Adzajan Aruleeswaran, Muhammad Tahir Ashraf, Rowayda Ali, Lars Yde

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

10.26434/chemrxiv-2025-5v2fm-v2

Posted

Aug 06, 2025

Shujin Hou, Archana Sekar, Yang Zhao, Minkyoung Kwak, Juhyun Oh, Kelvin Kam-Yun Li, Peiyao Wu, Ryan T. Hannagan, Valeria Cartagena, Anthony C. Ekennia, Hui Duan, Michael J. Zachman, Joelle Frechette, Gregory M. Su, Balsu Lakshmanan, Yushan Yan, Thomas F. Jaramillo, Shannon W. Boettcher

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

10.26434/chemrxiv-2025-2f2bq

Posted

Aug 06, 2025

Minh L. N. Tran, Tushar B. Raskar, Eugene D. Toth, Jiakai Zhang, Andrew K. Ecker, Seul Ki Yeon, Ethel Tackie-Yarboi, William F. Degrado, James Fraser, Ian Seiple

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

10.26434/chemrxiv-2025-7n89p

Posted

Aug 06, 2025

Amino Acid-Promoted Synthesis of 2H-Chromenes

Nicolas Fay, Bastien Nay

10.26434/chemrxiv-2025-tk1x6

Posted

Aug 06, 2025

James Williamson, Tomasz Piskorz, Bini Claringbold, Alexandra Paul, Nikita Harvey, Fernanda Duarte, Christopher Serpell

Differential Self-Assembly of Sequence-Isomeric Phosphoestamers

10.26434/chemrxiv-2025-4m2l5

Posted

Aug 06, 2025

Jaspreet Bhamra, Mahati Krishna, George Samman, Sankha Pattanayak, Swagatam Mukhopadhyay

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

10.26434/chemrxiv-2025-d2bhr

Posted

Aug 06, 2025

Siyi Huang, Ruiqi Gao, Yixiao Chen, Pinchen Xie

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

10.26434/chemrxiv-2025-s6wlp

Posted

Aug 06, 2025

Duo Wang, Ao Xie, Shengcun Ma, Wei Tong, Shiqiang Zou, Anubhav Jain

Computational Catalysis and Machine Learning Applications to Water Treatment Technologies

10.26434/chemrxiv-2024-9z8sg-v3

Posted

Aug 06, 2025

Ren Muramatsu, Hiroshi Eguchi, Kenji Nagata

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

10.26434/chemrxiv-2025-t5whw-v3

Posted

Aug 06, 2025

Taketoshi KITAGAWA, Yusuke YASUDA, Tetsuro NAGAI, Kazushi FUJIMOTO

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

10.26434/chemrxiv-2025-n7vwf

Posted

Aug 06, 2025

Sijie Fu, Daniel Wang, Harmanna Henderiks, Andre Nogueira Assis, James Charron, Newell Washburn

Autonomous Determination of Hansen Solubility Parameters via Active Learning

10.26434/chemrxiv-2025-c7g4r

Posted

Aug 06, 2025

Lorenzo Di Terlizzi, Davide Ravelli, Burkhard König

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

10.26434/chemrxiv-2025-lfgh4

Posted

Aug 06, 2025

Igor Rončević, Iago M. Pozo, Lisa A. Schröder, Anthony W. Parker, Gregory M. Greetham, Harry L. Anderson

Controlling Heat Transfer Through π-Conjugated Molecules

10.26434/chemrxiv-2025-vrlpp

Posted

Aug 06, 2025

Allison Selinger, Fraser Hof

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

10.26434/chemrxiv-2025-k1hs8

Posted

Aug 06, 2025

Lijun Liu, Xiaoyu Shi, Bao Chen, Fangyan Chen, Jinzhong Tian, Nisha He, Baofu Xu

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

10.26434/chemrxiv-2025-b1wj2

Posted

Aug 06, 2025

Joshua Queener, Angela Asor, Margaret Ball, Jinda Fang, Jinghua Tang, Shiyu Zhang

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

10.26434/chemrxiv-2025-mq80b

Posted

Aug 06, 2025

John F. McCleerey Jr., Madison H. Powers, Jeffrey W. Bacon, James McNeely, John A. Porco Jr.

Asymmetric Total Synthesis of (–)-Verrucarol

10.26434/chemrxiv-2025-fmd1f

Posted

Aug 06, 2025

Ezekiel Ahn, Masoud Kazem-Rostami, Sunchung Park, Richard Ashby, Helen Ngo, Lyndel Meinhardt

Structure-Activity Relationship of Novel Phenolic-Branched Amides Reveals Potent, Isolate-specific Antifungal Activity and Morphological Disruption of Cacao Fungal Pathogens

10.26434/chemrxiv-2025-qjtsn

Posted

Aug 06, 2025

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

Leiting Zhang

10.26434/chemrxiv-2025-4mdhs

Posted

Aug 06, 2025

Tobias Morgen, Stefan Mecking, Ina Vollmer

Modelling and mechanistic study of polyethylene chain cleavage during ball milling

10.26434/chemrxiv-2025-nkf6j

Posted

Aug 06, 2025

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

Yathu Krishna Y K

10.26434/chemrxiv-2025-qdp8w

Posted

Aug 06, 2025

Suman Maji, Nitish Kumar Singh, Surajit Manna, Sourav Kabari, Rachit Singh Chauhan, Srimanta Guin, Puneet Gupta, Debabrata Maiti

C−H Activation Initiated Skeletal Recasting of Cyclopropane Carboxylic Acid

10.26434/chemrxiv-2025-g5pfs

Posted

Aug 06, 2025

Giovanni Chiappetta, Xhesika Limaj, Madeleine Frelon, Joelle Vinh

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

10.26434/chemrxiv-2025-qgl69

Posted

Aug 06, 2025

Zhen-Feng Cai, Meghna Manae, Zi-Xi Tang, Jun-Xian Zhang, Yao Zhang, Jeremy Richardson, Naresh Kumar

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

10.26434/chemrxiv-2025-w41qh

Posted

Aug 06, 2025

Emad Al lbrahim, Nathan Morgan, Simon Müller, Saikiran Motati, William Green

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

10.26434/chemrxiv-2025-jd8zw

Posted

Aug 06, 2025

Dongxia Wu, Qingqing Gu, Ruijie Zou, Jiangliang Hu, Weiren Bao, Liping Chang, Lina Li, Yongfeng Hu, Junjie Li, Aiqin Wang, Lei Li, Jiancheng Wang, Bing Yang, Tao Zhang

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

10.26434/chemrxiv-2025-tdmfd

Posted

Aug 06, 2025

Mateusz Mojsak, Tahlia Palmer, Adam Michalchuk

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

10.26434/chemrxiv-2025-g7xv0

Posted

Aug 06, 2025

Mattia Lepori, Dimitris Ioannou, Joshua Barham, Timothy Noel

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

10.26434/chemrxiv-2025-whxc3

Posted

Aug 06, 2025

Nayeon Kim, Hyuk Jun Yoo, Daeho Kim, Heeseung Lee, Sang Soo Han

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

10.26434/chemrxiv-2025-3lj65-v3

Posted

Aug 06, 2025

Hidenori Okamura, Takeyuki Yao, Yosuke Taniguchi, Fumi Nagatsugi

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

10.26434/chemrxiv-2025-9qx61

Posted

Aug 06, 2025

RinQ: Predicting central sites in proteins on current quantum computers

Shah Ishmam Mohtashim

10.26434/chemrxiv-2025-zmd2s-v2

Posted

Aug 06, 2025

Daichi Eguchi, Yoshinobu Kamakura, Daisuke Tanaka, Takahito Nakajima, Naoto Tamai

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

10.26434/chemrxiv-2025-mrlr8

Posted

Aug 06, 2025

Ao Wen, Baobao Su, Suci Meng, Huachen Lin, Zhibin Luo, Bin Liu

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

10.26434/chemrxiv-2025-1gxth

Posted

Aug 06, 2025

Emily R. Mikeska, David D. Schnaars, Richard E. Wilson, André Severo Pereira Gomes, Valérie Vallet

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

10.26434/chemrxiv-2025-kp4tp-v2

Posted

Aug 06, 2025

SENTHILKUMAR ANANTHARAMAN

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

Posted

Aug 06, 2025

10.33774/apsa-2025-3m05s

Shama Perween, Benjamin Knies, Margarida Barroso, Kerstin Wissel, Robert Löser, Chittaranjan Das, Michael Saliba, Oleksandr Bondarchuk, Hasan Yilmaz, Guido Schmitz, Marc Widenmeyer, Ingo Hartenbach, Oliver Clemens

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

10.26434/chemrxiv-2025-xnxv2

Posted

Aug 06, 2025

Wiktor Adamski, Geraldine R. Levy, François-Xavier Cantrelle, Davy Sinnaeve

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

10.26434/chemrxiv-2025-w5h7s-v2

Posted

Aug 07, 2025

Bogdan Zagribelnyy, Vladimir Aladinskiy, Nikita Bondarev, Ivan Ilin, Maxim Malkov, Anna Vasileva, Xiaoyu Ding, Arkadii Lin, Rim Shayakhmetov, Alex Aliper, Feng Ren, Alex Zhavoronkov

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

10.26434/chemrxiv-2025-h10tn

Posted

Aug 07, 2025

Muhammad Yasir Mehboob, Minu Sheeja, Cina Foroutan-Nejad

Taming Boroloborinines: Toward Photostable Polycyclic Antiaromatic Hydrocarbons

10.26434/chemrxiv-2025-765br

Posted

Aug 07, 2025

Souvik Sinha, Chandrakant Bagul, Mayank Kohli, Sooriya Kumar Jegatheesan

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

10.26434/chemrxiv-2025-9zzlc

Posted

Aug 07, 2025

Yanghong Xu, Long Yang, Yifei Wang, Jiaxin Su, Zhenru Zhang, Kun Xiong, Jun Wang, Xiaofeng Zhu, TaeKyu Ahn, Youngsoo Kang, Wooyul Kim

Selectivity Modulation of Organic Semiconductor Electrophotocatalysis Enables Highly Selective CO2-to-Methanol Conversion

10.26434/chemrxiv-2025-4s089

Posted

Aug 07, 2025

Katarzyna Swiderek, Kemel Arafet, Victor de Sousa Batista, Daniel Grajales-Hernández, Fernando López-Gallego, Vicent Moliner

Insights into the Catalytic Activity of a Metagenome-Derived Urethanase

10.26434/chemrxiv-2025-b9h25

Posted

Aug 07, 2025

Sagrika Rajput, Sharanappa Nembenna

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

10.26434/chemrxiv-2025-lbcfq

Posted

Aug 07, 2025

Daisuke Kubota, Ryuzi Katoh, Hiroyuki Yaguchi, Takurou N. Murakami, Naoyuki Nishimura

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

10.26434/chemrxiv-2025-vg5bm

Posted

Aug 07, 2025

Justina Helena Moss, Katharina Doblhoff-Dier

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

10.26434/chemrxiv-2025-cw68k

Posted

Aug 07, 2025

Sander Folkerts, Maximilian G. Hoepfner, Gonzalo Guillen-Gosalbez, Javier Perez-Ramirez, Erick Carreira

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

10.26434/chemrxiv-2025-s24s6

Posted

Aug 07, 2025

Taufhik Hossain Tonmoy, Sezer Seçkin, Marisa Hoffmann, Isli Çela, Gyusang Yi, Ahmed Alsadig, Swagato Sarkar, Christian Rossner, Tobias A.F. König, Andreas Fery, Larysa Baraban

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

10.26434/chemrxiv-2025-8q6g8

Posted

Aug 07, 2025

Sebastian Rücker, Berthold Stöger, Nikolaus Gorgas

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

10.26434/chemrxiv-2025-74ds1

Posted

Aug 07, 2025

Geography

Neve Fields, Leonhard Hofbauer, Martin Mutembei, Anne Nganga, Mark Howells, Ed Brown

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

Posted

Aug 07, 2025

10.33774/coe-2025-955g9

Philipp Bohn, Lujie Xu, Sharon Pinus, Max Flügge, Richard Kraus, André Bütikofer, Silke Wolf, David Rombach

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

10.26434/chemrxiv-2025-jmfh6

Posted

Aug 07, 2025

Anthropology

Protocol/Methodology

The Existence of Ghostly-spirits: Debunking Paranormal Skepticism

Motsumi Taje

Posted

Aug 07, 2025

10.33774/coe-2025-7qd4h

Lennart Reuter, Jonas L. S. Dickmanns, Robert Morasch, Sven Friedrich, Andreas Jossen, Hubert A. Gasteiger

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

10.26434/chemrxiv-2025-0v453

Posted

Aug 07, 2025

Enrique Soto, Felix Leon, Manuel Romero, Victor Castaing, Hernán Míguez, Gabriel Lozano, Jesus Campos

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

10.26434/chemrxiv-2025-0s3vc

Posted

Aug 07, 2025

Ignacio Pickering, Jinze Xue, Kate Huddleston, Nicholas Terrel, Adrian Roitberg

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

10.26434/chemrxiv-2025-w0w7d

Posted

Aug 07, 2025

Shangyu Li, Polpum Onnuch, Richard Liu

Pd-Catalyzed Azidation of Aryl (Pseudo)Halides

10.26434/chemrxiv-2025-fvbnw

Posted

Aug 07, 2025

Kyra Jackson, Isabelle Szeto, Leah Seebald, Samuel Shepard

Substituent Effects Govern the Efficiency of Isoxazole Photoisomerization to Carbonyl-2H-Azirines

10.26434/chemrxiv-2025-4rhg6

Posted

Aug 07, 2025

Sophia Kouider, Loic Buchon, Luna Choulot, Julie Bratasanu, Patrick Désirée, Jessica Mauriello, Elsa Maarek, Jean-Louis Clément, Damien Montarnal, Olivier Soppera, Didier Gigmes, Catherine Lefay, Yohann Guillaneuf

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

10.26434/chemrxiv-2025-z051f

Posted

Aug 07, 2025

Niket Powar, Progna Banerjee

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

10.26434/chemrxiv-2025-3zqxg

Posted

Aug 07, 2025

Mario Pagliaro, Caterina Di Sano, Claudia D'Anna, Giovanna Li Petri, Giuseppe Angellotti, Rosaria Ciriminna

Citrus Flavonoids for Cystic Fibrosis Treatment

10.26434/chemrxiv-2025-jlmv9

Posted

Aug 07, 2025

Mahmoud Saleh, Mahmoud Afrasi, Ajay Bansode, Poulami Ghosh, Dan Wise, Marvin Parasram

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

10.26434/chemrxiv-2025-1bcqv

Posted

Aug 08, 2025

Dustin Broderick, Paige Bowling, Chance Brandt, Sigrun Childress, Joshua Shockey, Jonah Higley, Haden Dickerson, Syed Sharique Ahmed, John Herbert

Fragment: An open-source framework for multiscale quantum chemistry based on molecular fragmentation

10.26434/chemrxiv-2025-1k4k6

Posted

Aug 08, 2025

Hitoshi Ishiwata, Jiarui Song, Yoko Shigeno, Koki Nishimura, Nobuhiro Yanai

Molecular Quantum Nanosensors Functioning in Living Cells

10.26434/chemrxiv-2025-k7db1-v2

Posted

Aug 08, 2025

Asa Toombs, Michelle De La Cruz, Luke Van Hoosen, Zoe Y. Marr, Morgan Redington, Eva Zurek, Joyce Pham

Teaching Undergraduates X-Ray Crystallography with Porphyrins

10.26434/chemrxiv-2025-qgg6n

Posted

Aug 08, 2025

Logan Echeveria, Sadi Shahriar, Allison Yorita, Erkin Seker

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

10.26434/chemrxiv-2025-85lwh

Posted

Aug 08, 2025

Alessandra Mandala Kol, Teddy Herriman, Wendy Salmon, Gino DiLabio, Megan Jackson

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

10.26434/chemrxiv-2025-dh30c-v2

Posted

Aug 08, 2025

Fanxu Meng, Zihan Shen, Daniel J. Zheng, Pengfei Song, Xinlong Lin, Shibo Xi, Chao Wu, Yang Shao-Horn, Zhichuan J. Xu

Oxygen Migration Pathways in the Methanol Oxidation Reaction

10.26434/chemrxiv-2025-mhf4p

Posted

Aug 08, 2025

Zheng Li, Tianqi Li, Dongfang Zhao, Zhibo Li

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

10.26434/chemrxiv-2025-1nb8b

Posted

Aug 08, 2025

Amy Carfagno, Linda Lieu, Jake Kline, Luca Fornelli, Kenneth Durbin

Automating Mass Spectrometry Data Analysis for Antibody Subunit Characterization

10.26434/chemrxiv-2025-wqkm4

Posted

Aug 08, 2025

Tobias Neff, Friedrich Stemmler, Leonhard Kolb, Joris van Slageren, Anke Krueger

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

10.26434/chemrxiv-2025-rkj64

Posted

Aug 08, 2025

Linh La, Salvy Russo, Truyen Tran, Svetha Venkatesh, Sherif Abdulkader Tawfik

The stability and electronic structure of anti-MXenes

10.26434/chemrxiv-2025-jh8mx

Posted

Aug 08, 2025

Peter Ertl, Eva Altmann, Rainer Wilcken

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

10.26434/chemrxiv-2025-0g1xp

Posted

Aug 08, 2025

Nozomu Suzuki, Kazuya Miyata, Yudai Ono, Yutaro Yamasaki, Takeharu Haino

Twisted Host–Guest Systems Exhibit Superamplification of Asymmetry via Coupled Allosteric and Conformational Cooperativity

10.26434/chemrxiv-2025-1cl2b-v3

Posted

Aug 08, 2025

Palwinder Kaur, Sudeshna Bagchi, Amol P. Bhondekar

Intra-class Classification of Amines using Impedance Spectroscopy with a SnO2-Ppy Composite based Sensor

10.26434/chemrxiv-2025-jpsdn

Posted

Aug 08, 2025

Francesco Panico, Ivano Alessandri, Paolo Ghigna, Michael Russell, Alessandro Minguzzi, Alberto Vertova

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

10.26434/chemrxiv-2025-q54x9

Posted

Aug 08, 2025

MAHESH THOKE, Shao-Xia Lin

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

10.26434/chemrxiv-2025-lrwk4

Posted

Aug 08, 2025

Zahra Tohidi Nafe, Adam Madarasz

Dielectric Properties of Disordered Crystalline Materials: A Computational Case Study on Hexagonal Ice

10.26434/chemrxiv-2025-qb51j

Posted

Aug 08, 2025

Brijesh K. Patel, Arya Vidhan, Shubham Gupta, Vaishali Arunachalam, Simantini Nayak, Shaibal K. Sarkar, Pabitra K. Nayak

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

10.26434/chemrxiv-2025-dcq9g

Posted

Aug 08, 2025

Abbey Jarvis, Rosie Madge, Laura Driscoll, Phoebe Allan, Paul Anderson, Peter Slater

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

10.26434/chemrxiv-2025-xt76v

Posted

Aug 08, 2025

Giovanna Liciberto, Ada Raucci, Canio Martinelli, Michelino De Laurentiis, Antonio Giordano, stefano cinti

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

10.26434/chemrxiv-2025-pr5l5

Posted

Aug 08, 2025

Ryuhei Sato, Yasunobu Ando, Kartik Sau, Yasushi Shibuta

Visualizing Concerted Ion Migration of Superionic Conductors via Directed Graphs

10.26434/chemrxiv-2025-lhl7b

Posted

Aug 08, 2025

Alexander Yakimov, Alexander Guda, Sergey Guda, Bogdan Protsenko, Elena Groppo, Felipe Morais Bolner, Sebastien Norsic, Jean Raynaud, Vincent Monteil, Christophe Copéret

Nature of Surface Sites in Ziegler-Natta Pre-Catalysts from Quanti-tative Analysis of Ti K-edge X-Ray Absorption Spectra

10.26434/chemrxiv-2025-2dv1x

Posted

Aug 08, 2025

Haimanti Majumder, Aislinn A. Miranda, Kulatheepan Thanabalasingam, Kyle M. McCall

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

10.26434/chemrxiv-2025-lmr7l-v2

Posted

Aug 08, 2025

Version undefined posted 09 August 2025

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

Yufan Wang

Posted

Aug 09, 2025

10.26434/chemrxiv-2025-4scw5

Andrey Koverga, Ana Maria Gomez Marin, Elizabeth Florez, Edson Ticianelli

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

Version undefined posted 09 August 2025

Posted

Aug 09, 2025

10.26434/chemrxiv-2025-h1cb2

Libby Koolik, Simone Speizer, Clara Rong, Sarah Chambliss, Julian Marshall, Rachel Morello-Frosch, Christopher Tessum, Joshua Apte

Methodological Design Choices Can Affect Air Pollution Exposure Disparity Estimates: A Case Study on California’s Agricultural Sector

10.26434/chemrxiv-2025-jcdnz

Posted

Aug 10, 2025

Emma Flynn, Riya Shah, Ian Dunn, Rishal Aggarwal, David Koes

PharmacoForge: Pharmacophore Generation with Diffusion Models

10.26434/chemrxiv-2025-dz765-v2

Posted

Aug 10, 2025

Antonis Vamvakeros, Evangelos Papoutsellis, Hongyang Dong, Ronan Docherty, Andrew M. Beale, Samuel J. Cooper, Simon D.M. Jacques

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

10.26434/chemrxiv-2025-h5t2x-v2

Posted

Aug 10, 2025

David Noel Zimmer, Friederike Schmid, Giovanni Settanni

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

10.26434/chemrxiv-2025-rwb18

Posted

Aug 10, 2025

Ajay Khanna, Victor M. Freixas, Lei Xu, Jeremy R. Rouxel, Niranjan Govind, Marco Garavelli, Shaul Mukamel, Sergei Tretiak

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

10.26434/chemrxiv-2025-vp7qf

Posted

Aug 10, 2025

Mohammad Moeini, Tesnime Hidjir, Sebastian Mafeld, Naomi Matsuura

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

10.26434/chemrxiv-2025-8xwl4

Posted

Aug 10, 2025

Madushmita Hatimuria, Jyoti Vishwakarma, Akshara Mohan, Riya R Krishnan, Nikesh Chandran C, Krishna Gavvala, ASHOK PABBATHI

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

10.26434/chemrxiv-2025-t3dhx

Posted

Aug 10, 2025

Abdulmuiz Adekomi, Shuting Yang, Shannon Stokes, Arvind Ravikumar

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

10.26434/chemrxiv-2025-4rl64

Posted

Aug 10, 2025

Ashok S. Menon, Gabriel E. Pérez, Gaurav C. Pandey, Fabio Orlandi, Pascal Manuel, Tobias A. Bird, Daniel JM Irving, Eleni Fiamegkou, Louis FJ Piper

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

10.26434/chemrxiv-2025-8n40n-v2

Posted

Aug 10, 2025

Elif Koçar, Enza Di Gregorio, Syed Bilal Nizami, Vicente Durán Toro, Uzair Ali, Lorenzo Signorelli, Teresa Giannattasio, Franziska Wasner, René Stein, Rainer Tietze, Marianna Sorrentino, Alessia Corrado, Allegra Conti, Nicola Toschi, Giuseppe Ferrauto, Danijela Gregurec

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

10.26434/chemrxiv-2024-6zc3p-v4

Posted

Aug 10, 2025

Emil Zaripov, Carlos Gu, Kalem Holmes, Yuchu Dou, Aliaksandra Radchanka, Drake Johnson-Scherger, Petr Kasyanchyk, Abdullah Khraibah, Nandanee Mulloo, Maxim Berezovski

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

10.26434/chemrxiv-2025-1d2c4-v2

Posted

Aug 10, 2025

Nguyen Thien Phuc Tu, Alexander Knoll, Jörg Behler, Christopher Rowley

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

10.26434/chemrxiv-2025-qt1rr

Posted

Aug 11, 2025

Guo Yu, Zhanchao Meng, Guangxin Liang

Revisiting the Hückel’s rule: Where Comes the Aromaticity and Antiaromaticity

10.26434/chemrxiv-2025-z5lf6

Posted

Aug 11, 2025

Ashton R. Henderson, Ismael A. Elayan, Alex Brown

Beyond TD-DFT: Assessing the Bethe-Salpeter Equation within the GW Approximation for Absorption Properties

10.26434/chemrxiv-2025-f7nwt

Posted

Aug 11, 2025

Zsuzsanna É. Mihálka, Jozef Noga

Explicitly correlated geminal-based perturbation theory

10.26434/chemrxiv-2025-rrz7n-v2

Posted

Aug 11, 2025

Derek van Tilborg, Luke Rossen, Francesca Grisoni

Molecular deep learning at the edge of chemical space

10.26434/chemrxiv-2025-qj4k3-v3

Posted

Aug 11, 2025

Indu Negi, Stacey D. Wetmore

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

10.26434/chemrxiv-2025-77s3l-v2

Posted

Aug 11, 2025

Richard Friesner, Robert Murphy, Yuqi Zhang, Yeyue Xiong, Pierre Devlaminck, Ivan Tubert-Brohman, Steven Jerome

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

10.26434/chemrxiv-2025-0s90h-v2

Posted

Aug 11, 2025

Kirill Kulaev, Bogdan Protsenko, Weiren Cheng, Qinghua Liu, Dmitry Gorbunov, Mikhail Lifar, Valery Vlasenko, Anatolii Burlov, Sergey Guda, Mikhail Soldatov, Alexander Guda, Alexander Soldatov

DeepFit: physically and chemically informed XAS-Structure fitting made simple

10.26434/chemrxiv-2025-xn5zb-v2

Posted

Aug 11, 2025

Lauren Way, Veronique Charbonnier, Julien Fadonougbo, Rebecca Clulow, Lei Lei, Sanliang Ling, David Grant, Martin Dornheim, Tanumoy Banerjee, Hanna Breunig, Claudia Zlotea, Andrew Rowberg, Pin-Wen Guan, Vitalie Stavila, Mark Allendorf, Martin Sahlberg, Kouji Sakaki, Norman Bartelt, Matthew Witman

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

10.26434/chemrxiv-2025-cfjgm

Posted

Aug 11, 2025

Kanaru Sasaki, Takashi Fujihara, Hiroki Shigehisa

Organophotoredox-catalyzed Trifluoromethylative Cyclization of Alkenoic Thioesters

10.26434/chemrxiv-2025-p4nft

Posted

Aug 11, 2025

Wataru Takahara, Yuichi Yamaguchi, Mai Ogano, Fuga Kakami, Yosuke Harashima, Tomoaki Takayama, Shogo Takasuka, Akihiko Kudo, Mikiya Fujii

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

10.26434/chemrxiv-2025-bjq11

Posted

Aug 11, 2025

Jana Lapesova, Jiri Demuth, Veronika Novakova, Petr Zimcik

Enhanced Quenching in an Azaphthalocyanine-Ferrocene System upon Charge-Transfer Complex Formation

10.26434/chemrxiv-2025-cdxf8

Posted

Aug 11, 2025

Ming-Hsuan Tsai, Yen-Hsiang Lin, Yi-Pei Li

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

10.26434/chemrxiv-2025-hw9ff

Posted

Aug 11, 2025

Hiu-Lok Ngan, Jialing Zhang, Kenneth Kin-Leung Kwan, Jacinth Wing-Sum Cheu, Li Zhong, Yike Guo, Xian Yang, Carmen Chak-Lui Wong, Hong Yan, Zongwei Cai

Physically Constrained Mass Spectrometry Data Binning for Multi-Platform Untargeted Metabolomics Data Integration

10.26434/chemrxiv-2025-vs2dz

Posted

Aug 11, 2025

Meabh Perry-Britton, Nicholas White

Hydrogen-Bonded Networks from Poly(dimethylamidinium) Cations and Polycarboxylate Anions

10.26434/chemrxiv-2025-dp5bq

Posted

Aug 11, 2025

Nirmal K. Das, Hubert Piwonski, Shuho Nozue, Manjusha Joshi, Kosuke Terayama, Tsuyoshi Michinobu, Satoshi Habuchi

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

10.26434/chemrxiv-2025-18xnp

Posted

Aug 11, 2025

Emilia Gomez, Mohan Kodisana, Asma Harun, Alyssa Kornegay, Kirsten Hanson, Indrajit Srivastava, Syed Muhammad Usama

Unsymmetrical Heptamethine Cyanines Prevent Aggregation

10.26434/chemrxiv-2025-6q57n

Posted

Aug 11, 2025

Jan-Benedikt Weiß, Lorena Fritsch, Michele Tricarico, Anke Schoch, Soma Salamon, Wen-Long Xue, Chinmoy Das, Pascal Kolodzeiski, Heiko Wende, Jin-Chong Tan, Matthias Bauer, Sebastian Henke

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

10.26434/chemrxiv-2025-2ss9r

Posted

Aug 11, 2025

Ondřej Mrózek, Jade Roman, Thabassum A. Nattikallungal, Stephen E. Bradforth, Peter I. Djurovich, Mark E. Thompson

Lone Pairs of Carbogenic Center Enable Thermally Activated Delayed Fluorescence from Carbon to Ligand Charge Transfer Excited States

10.26434/chemrxiv-2025-4vvdm

Posted

Aug 11, 2025

Fermat's Last Theorem 3rd Way

Posted

Aug 11, 2025

10.33774/coe-2025-gx3m3

Fermat's General Case 3rd Way

Posted

Aug 11, 2025

10.33774/coe-2025-3ld8n

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

WEN-XIANG CHEN

Posted

Aug 11, 2025

10.33774/coe-2025-ks4h1

Eliminating the Term Vψ and Coefficient 1/2 From Schrodinger’s Wave Equation

Abolfazl Soltani

10.33774/coe-2024-ztcmw-v8

Posted

Aug 11, 2025

A New Explanation for the Result of Michelson-Morley Experiment

Abolfazl Soltani

10.33774/coe-2025-bsfh2-v10

Posted

Aug 11, 2025

Tsukasa Irie, Ayumu Kondo, Kai Sun, Kohki Sasaki, Mika Nozaki, Kotaro Sato, Tokuhisa Kawawaki, Yu Zhao, Saikat Das, Yuichi Negishi

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

10.26434/chemrxiv-2025-50r8z

Posted

Aug 11, 2025

Chin-Hsuan Chang, Yen-Chun Lin, Shih-Cheng Li, Yi-Pei Li

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

10.26434/chemrxiv-2025-qg1zr

Posted

Aug 11, 2025

Inmaculada Gimenez-Garcia, Antoni Forner-Cuenca

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

10.26434/chemrxiv-2025-k77zb

Posted

Aug 11, 2025

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

Muhammad Nafi

Posted

Aug 11, 2025

10.33774/coe-2025-33w90

Shelby Davis, Daniel Gibney, Jan-Niklas Boyn

Disentangling Cooperative Electron Correlation and Structural Effects in Bio-inspired [Fe4S4]+ Stereo-valence Isomerism and π-Acid Activation

10.26434/chemrxiv-2025-jg1qj

Posted

Aug 11, 2025

Zayim Jamil, Tristan Pitt, Phillip Milner, Ronald Jerozal

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

10.26434/chemrxiv-2025-73xz2

Posted

Aug 11, 2025

Yannick Schulte, Kotowa Hoshino, Satoru Kuwano, Kei Goto

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

10.26434/chemrxiv-2025-hdm6f

Posted

Aug 11, 2025

Ashish Garg, Bhargav Akkinepally

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

10.26434/chemrxiv-2025-c3tnz

Posted

Aug 11, 2025

Mitsunori Kitta, Hikaru Sano, Yuta Maeyoshi

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

10.26434/chemrxiv-2025-zx6rk

Posted

Aug 11, 2025

Matic Jovičević-Klug, Cristiano Kasdorf Giesbrecht1, Bojan Ambrožič, Florian Gossing, Carlo Alberto Brondin, Zygmunt Miłosz, Eric V. Woods, Matteo Amati, Petra Ebbinghaus, Christian Schwab, Martin Finsterbusch, Luca Gregoratti, Jeffrey McCord, Michael Rohwerder, Patricia Jovičević-Klug

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

10.26434/chemrxiv-2025-rp08n

Posted

Aug 11, 2025

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

Carlos Rinaldi

10.26434/chemrxiv-2025-8bbbm

Posted

Aug 11, 2025

Swati Bishnoi, Ankita Singh, Ashish Garg, Prabhakar Kumar, Sudip Kumar Pattanayek

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

10.26434/chemrxiv-2025-45jwn

Posted

Aug 11, 2025

Bei Yang, Chunyang Yin, Veaceslav Coropceanu, Jianhui Hou, Shaoqing Zhang, Zhiguo Zhang, Jun Yuan, Yingping Zou, Yuze Lin, Feng Liu, Xiaozhang Zhu, Yahui Liu, Jun Liu, Hongliang Zhong, Xin Guo, Long Ye, Shuixing Li, Hongzheng Chen, Feng Gao

TICT Caused Quenching in Organic Semiconductors

10.26434/chemrxiv-2025-vg2qh

Posted

Aug 11, 2025

Pegah Naghshnejad, Jose Romagnoli, Revati Kumar, Jianhua Chen

Uncovering Structure–Conductivity Relationships in AEMs Using Interpretable Machine Learning

10.26434/chemrxiv-2025-zxnmr

Posted

Aug 11, 2025

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

Rui Wang

10.26434/chemrxiv-2025-jcnff

Posted

Aug 11, 2025

SENTHILKUMAR ANANTHARAMAN

Leveraging the C.U.T.E. Framework: A Strategic Policy Response by Indian Manufacturers to Trump's 25% Secondary Tariff on India

Posted

Aug 11, 2025

10.33774/apsa-2025-rm6z4

Styliani-Theodosia Korfia, Foteini Trigka, Víctor Riera Naranjo, Sara Bizzi, Hang Zhang, Bolei Deng, Michael M. Lerch

Structure-Aided Chemical Signal Propagation in Hydrogel Metastructures

10.26434/chemrxiv-2025-p4fmf

Posted

Aug 11, 2025

Astrid DE LAPORTE, Bernard Haye, Jérôme Charliac, Guillaume P. Laurent, Patrick Le Griel, Pierre Carol, Ilan Raphael, Gervaise Mosser

Transformation of banana peels into banana peel wood

10.26434/chemrxiv-2025-jqwf2

Posted

Aug 11, 2025

Tania Mazuelo, Teresa Naranjo, Miguel Gomez-Mendoza, Victor A. de la Peña O´Shea, Marta Liras

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

10.26434/chemrxiv-2025-x3h9j

Posted

Aug 11, 2025

Xinru Liu, Vineeth Pothanamkandathil, Lorenz Schwab, Shun Mao, Meret Aeppli

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

10.26434/chemrxiv-2025-5w8sg

Posted

Aug 11, 2025

The Political Economy of Artificial Intelligence: Evidence from Western Europe

Ranjit Lall

Posted

Aug 11, 2025

10.33774/apsa-2025-4n31w

Daniel Akuamoah, Manana Tsiskarishvili, William Brennessel, C. Rose Kennedy

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

10.26434/chemrxiv-2025-kj1m5

Posted

Aug 12, 2025

Ann-Kathrin Prinz, Philipp Janssen, Fabiana Rosini, Carlos Montanari, Oliver Koch

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

10.26434/chemrxiv-2025-bmv1h

Posted

Aug 12, 2025

Melissa Shbeta, Tal Kopp, Ivan Voronov, Adi Yona, Rania Hasib Afana, Shmuel Carmeli, Micha Fridman

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

10.26434/chemrxiv-2025-qc50x

Posted

Aug 12, 2025

Stefan Warrington, Antti-Pekka Miikael Reponen, Tejas Deshpande, Tamsin Carolan, Eleanor Dodd, Simon Coles, Cate Anstoter, Sascha Feldmann, Iain Wright

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

10.26434/chemrxiv-2025-trzcq

Posted

Aug 12, 2025

Erik Nordquist, Mingtian Zhao, Wenbo Yu, Alex MacKerell

Computational modeling of PROTAC ternary complexes as ensembles using SILCS-PROTAC

10.26434/chemrxiv-2025-jk9sn

Posted

Aug 12, 2025

Philipp Spieß, Miloš Vavrík, Jakob Frey, Uroš Vezonik, Daniel Kaiser, Nuno Maulide

Regiodivergent cation sampling for distal Csp3 -functionalization

10.26434/chemrxiv-2025-ks4x0

Posted

Aug 12, 2025

Ahmadreza Nezamzadeh, Shayanta Chowdhury, Gaohe Hu, Nathaniel L. Dominique, Emmett Desroche, Sakiat Hossain, Mark Aloisio, Ryan Groome, Michael Furlan, Kayla Boire, Alastair B. McLean, Lasse Jensen, Jon P. Camden, Cathleen M. Crudden

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

10.26434/chemrxiv-2025-dzlfn

Posted

Aug 12, 2025

Jacob Kennedy, Zachary LaFaver, Marcus Dupart Jr., Kateri H. DuBay, David L. Green

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

10.26434/chemrxiv-2025-qx7k2-v2

Posted

Aug 12, 2025

Javier Adrio, Nuria Rodríguez, Inés Alonso, Juan C. Carretero, Celia Sánchez González

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

10.26434/chemrxiv-2025-8vw5h

Posted

Aug 12, 2025

Abdullah Ozkanlar, Simantini Paul, Aurora Clark

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

10.26434/chemrxiv-2025-8gjg6

Posted

Aug 12, 2025

Nicole S. van Leeuwen, David Vesseur, Thijmen Bonhoff, Jeffrey van Laar, Coert van Lare, Simon Mathew, Sonja Pullen, Joost N.H. Reek, Aalbert Zwijnenburg, Bas de Bruin

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

10.26434/chemrxiv-2025-3ftmn-v2

Posted

Aug 12, 2025

Xin Zhao, Zhi-Bei Zhou, Peng-Ju Tian, Chao Liu, Wen-Zhuang Wang, Xiao-long Wan, Xiao-ling Lei, Qiao-Yan Qi, Shun-Qi Xu, Yubin Fu, Xin Zhao

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

10.26434/chemrxiv-2025-k5dgf-v2

Posted

Aug 12, 2025

Roel L. M. Bienenmann, Chattawat Thangsrikeattigun, Alexandra J. Schanz, Martin Lutz, Mu-Hyun Baik, Daniel L. J. Broere

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

10.26434/chemrxiv-2025-zsnkg-v2

Posted

Aug 12, 2025

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

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

10.26434/chemrxiv-2025-rzmm5

Posted

Aug 12, 2025

Daisuke Terada, Taichi Inagaki, Miho Hatanaka

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

10.26434/chemrxiv-2025-c8krs-v2

Posted

Aug 12, 2025

Guangmeimei Yang, Wei Huang, Yifeng Wang, Caiwu Liang, Yuxiang Zhou, Santosh Kumar, Pilar Ferrer Escorihuela, Parnia Navabpour, Giuseppe Sanzone, Trevor Ferris, Mark Turner, Sarah Haigh, Georg Held, Caterina Ducati, Andreas Kafizas, Reshma Rao

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

10.26434/chemrxiv-2025-p15vj

Posted

Aug 12, 2025

Ian Jef Bongalonta, Aaron Dinner, Andrei Tokmakoff

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

10.26434/chemrxiv-2025-zg815

Posted

Aug 12, 2025

Katelyn Silva, Nada Al-Ahmad, James H Geiger, Karen Draths

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

10.26434/chemrxiv-2025-lcrxw

Posted

Aug 12, 2025

Vitalii Solomin, Nicolas Delcroix, Marie Caldiero, Philippe Jubault, Thomas Castanheiro

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

10.26434/chemrxiv-2025-z549p

Posted

Aug 12, 2025

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

Takaaki Fujita

10.26434/chemrxiv-2025-zt9kf

Posted

Aug 12, 2025

Aigul Malmakova, Alan Jones

Synthetic Routes and Bioactivity Profiles of The Phenothiazine Privileged Manifold

10.26434/chemrxiv-2025-bd4pm

Posted

Aug 12, 2025

Defu Yao, Sha Li, Cuihua Qin, Xiaodan Lin, Letian Wang, Chenchen Zhang, Yuzhen Chen, Ziyi Zhong, Charlotte Vogt

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

10.26434/chemrxiv-2025-m166z

Posted

Aug 12, 2025

Anam Fatima, Yongle He, Danielle Rosenberger, Gregory Greetham, PARTHA MALAKAR, ANDRAS LUKACS, PETER TONGE, STEPHEN MEECH

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

10.26434/chemrxiv-2025-6cnnw

Posted

Aug 12, 2025

Seongrok Heo, Minhae Cha, Wonho Zhung, Sirisuk Keereewan, Soljee Yoon, JiMin Kim, Illhwan Cho, Suhyun Ye, Jae-Kyung Heo, Hayoung Hwang, Woo Youn Kim, YoungSoo Kim, Sunkyu Han

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

10.26434/chemrxiv-2025-cqswq

Posted

Aug 12, 2025

Rosa Braeuer, Sarah V Stewart, Valentina Erastova

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

10.26434/chemrxiv-2025-nrsm5

Posted

Aug 12, 2025

Martin Priessner, Richard Lewis, Jon Paul Janet, Isak Lemurell, Magnus Johansson, Jonathan Goodman, Anna Tomberg

Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model

10.26434/chemrxiv-2024-zmmnw-v2

Posted

Aug 12, 2025

Martin M. Maehr, Radu A Talmazan, Maren Podewitz

Quantification of Reaction Barriers under Diffusion Controlled Conditions

10.26434/chemrxiv-2025-m441k-v2

Posted

Aug 12, 2025

Irina Honin, Tao Sun, Linda Schäker-Hübner, Finn Kristian Hansen

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

10.26434/chemrxiv-2025-llrnl

Posted

Aug 12, 2025

Mattia Gaboardi, Valerio Di Lisio, Balthasar Braunewell, Jay Siegel, Daniele Cangialosi, Felix Fernandez-Alonso

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

10.26434/chemrxiv-2025-gdq9l

Posted

Aug 12, 2025

Yuliia Bondar, Vladislav Chrastný, Adéla Šipková, Eva Pecková, Ewa Skwarek

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

10.26434/chemrxiv-2025-kxvjm

Posted

Aug 12, 2025

Meng Liu, Dylan Bouëtard, Jakub Talcik, Jan Lorkowski, Ziyun Zhang, Thomas Vives, Thierry Roisnel, Muriel Serradeil-Albalat, Nicolas Vanthuyne, Luigi Cavallo, Laura Falivene, Rodolphe Jazzar, Marc MAUDUIT

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

10.26434/chemrxiv-2025-82kcw

Posted

Aug 12, 2025

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

Alan Chen, Vijay Krishna

10.26434/chemrxiv-2025-1r058

Posted

Aug 12, 2025

Sheyi Clement Adediwura, Jan Konrad Wied, Christian F. Litterscheid, Jörn Schmedt auf der Günne

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

10.26434/chemrxiv-2025-4082s

Posted

Aug 12, 2025

Drama and Theatre

Presentation

Performance Praxis of Affective Sublation Through the Devised Language of Parody

Anirban Kumar

10.33774/coe-2025-69mc7-v2

Posted

Aug 12, 2025

Language and Linguistics

Poster

Pragmatic strategies in English as a Lingua Franca (ELF) for tourism.

Ida Parise

Posted

Aug 12, 2025

10.33774/coe-2025-kh3wc

Law

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

Zoltán Sőre

Posted

Aug 12, 2025

10.33774/coe-2025-d8mht

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

Nagababu Andraju

10.26434/chemrxiv-2025-8l1km

Posted

Aug 12, 2025

Litao Yan, Ruozhu Feng, Ying Chen, Peiyuan Gao, Jong-Hwa Shon, Yaobin Xu, Xin Zhang, Guosheng Li, Yuyan Shao, Wei Wang

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

10.26434/chemrxiv-2025-07zmr

Posted

Aug 12, 2025

Jacob Metcalfe, Ryan Szukalo, Michael Webb

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

10.26434/chemrxiv-2025-cjgvz

Posted

Aug 12, 2025

Dean Miller, Kristen Abels, Wylie Kau, William Tarpeh

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

10.26434/chemrxiv-2025-12s20

Posted

Aug 12, 2025

HyperFunction and SuperHyperFunction in Chemistry

Takaaki Fujita

10.26434/chemrxiv-2025-05l3q

Posted

Aug 12, 2025

Rabia Amin, Yihao Wang, Johannes Berlin, Markus Etzkorn, Christopher R. Everett, Susanne Kempter, Meinhard Schilling, Peter Müller-Buschbaum, Jan Lipfert, Mohammad Suman Chowdhury, Aidin Lak

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

10.26434/chemrxiv-2025-217tn

Posted

Aug 12, 2025

Junxia Ren, Yujie Wang, Jinquan Suo, Zitao Wang, Xiaohong Chen, Bo Miao, Yiji Wang, Yaozu Liu, Daliang Zhang, Dan Zhao, Shilun Qiu, Valentin Valtchev, Qianrong Fang

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

10.26434/chemrxiv-2025-995rk

Posted

Aug 12, 2025

Miao Yu, Shujian Zheng, Vivek Philip

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

10.26434/chemrxiv-2025-3qx3t

Posted

Aug 12, 2025

Shaheerah Shahid, Dibyendu Maity, Suman Chakrabarty

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

10.26434/chemrxiv-2025-zhrsk

Posted

Aug 12, 2025

Dibyendu Maity, Shaheerah Shahid, Suman Chakrabarty

PathGennie: Rapid Generation of Rare Event Pathways via Direction-Guided Adaptive Sampling Using Ultrashort Monitored Trajectories

10.26434/chemrxiv-2025-3mng1

Posted

Aug 12, 2025

Guillaume Hénon-Just, Corentin Lefebvre, Akil Rajamani, Hassan Khartabil, Julien Pilmé, Eric Hénon

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

10.26434/chemrxiv-2025-br97q

Posted

Aug 12, 2025

Lenny Malihan-Yap, Lisa Schmedler, Daniel Pint, Hitesh Medipally, Florian Lackner, Simon Fedrigotti, Rupert Kargl, Karin Stana Kleinschek, Robert Kourist, Heidrun Gruber-Woelfler

Bioprinting of Nanocellulose Hydrogels for Photobiocatalysis in Continuous Flow Systems

10.26434/chemrxiv-2025-v05vd

Posted

Aug 12, 2025

Neha Sharma, Anna Kogler, Kindle Williams, Johanna Nelson Weker, Sharon Bone, William Tarpeh

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

10.26434/chemrxiv-2025-gxjw3

Posted

Aug 12, 2025

Rehman Arif, Gaurav Sharma

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

10.26434/chemrxiv-2025-dtgwn

Posted

Aug 12, 2025

Yixi Shen, Ledu Wang, Yan Huang, Xiaolong Zhang, Meng Huang, Huirong Li, Jing He, Aoran Cai, Yang Wang, Pieter Smith, Jun Jiang, Zhuoying Zhu, Linjiang Chen

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

10.26434/chemrxiv-2025-4kh1r

Posted

Aug 12, 2025

Ming Xu, Kang Wang, Zhi-Xiang Yu

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

10.26434/chemrxiv-2025-b0pf5

Posted

Aug 12, 2025

Ruihan Zhou, Francesco Paesani

Toward Chemical Accuracy in Biomolecular Simulations through Data-Driven Many-Body Potentials: II. Polyalanine in Water

10.26434/chemrxiv-2025-j6cwv

Posted

Aug 12, 2025

Hiroshi Kajiwara, Masato Mitani, Hiroyuki Ishii, Toshihiro Okamoto

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

10.26434/chemrxiv-2025-s2453

Posted

Aug 12, 2025

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

Sarang Srikanth

10.26434/chemrxiv-2025-87805

Posted

Aug 12, 2025

Andrew Lambe, Jordan Krechmer, Anita Avery, Mitchell Alton, Neil Donahue, Manjula Canagaratna

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

10.26434/chemrxiv-2025-cpdrt

Posted

Aug 12, 2025

Nitsan Barel, Shurouq Mujaheed, Kamal Uddin Ansari, Katarzyna Mlodzikowska-Pienko, Renana Gershoni-Poranne, Yuri Tulchinsky

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

10.26434/chemrxiv-2025-st57b

Posted

Aug 13, 2025

Stephanos Karafiludis, Jacob Standl, Tom William Ryll, Alexander Schwab, Carsten Prinz, Jakob B. Wolf, Sabine Kruschwitz, Franziska Emmerling, Christoph Völker, Tomasz M. Stawski

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

10.26434/chemrxiv-2025-zhkfp-v3

Posted

Aug 13, 2025

Dmitry Romanov, Igor Ershov, Anatoly Lavrentyev

Application of Clar’s Rule for Assessing the Effect of an Epoxy Group on the Stability of Graphene Quantum Dots: a Coronene-Based DFT Study

10.26434/chemrxiv-2025-t6hgc-v3

Posted

Aug 13, 2025

Igor Pervak, Andrii Kyrylchuk, Aleksandr Yurchenko, Roman Rudenko, Pavlo Shynkarenko, Yevhenii Novodvorskyi, Evgenij Zarudnitskii

Synthesis of heterocyclic analogues of Mosher's acid

10.26434/chemrxiv-2024-vt63v-v2

Posted

Aug 13, 2025

Sachika Hayashi, Takahiro Naito, Kanishka H. De Silva, Katsutoshi Sato, Takaaki Toriyama, Tomokazu Yamamoto, Yasukazu Murakami, Katsutoshi Nagaoka

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

10.26434/chemrxiv-2025-492xf-v3

Posted

Aug 13, 2025

Rodrigo Araujo Mendes, Nathanael J. King, Alex Brown, Rodney J. Bartlett, Mariusz Klobukowski

cQTP25: A New Exchange-Correlation Functional for Core-Electron Ionization Energy

10.26434/chemrxiv-2025-p351k-v2

Posted

Aug 13, 2025

Robert Strich, Shirin Faraji, Elisa Palacino-González

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

10.26434/chemrxiv-2025-s2cq4-v2

Posted

Aug 13, 2025

Lena A. Mittmann, Javier Sanz Rodrigo, Eugène Bertin, Giulia Dalmonte, Jean-Claude Grivel, Ivano E. Castelli, Andrea Crovetto

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

10.26434/chemrxiv-2025-bzrmf-v2

Posted

Aug 13, 2025

Antonio Cosimo Pio Trimboli, Viviana Bressi, Emilia Paone, Riccardo Pellegrini, Paolo Lazzarini, Elena Clara Groppo, Francesco Mauriello

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

10.26434/chemrxiv-2025-vsrzv

Posted

Aug 13, 2025

Haruma Tatsumi, Ami Nishijima, Takashi Uemura

Controlled thermal depolymerization of polystyrene using metal-organic frameworks

10.26434/chemrxiv-2025-jl3l4

Posted

Aug 13, 2025

Sophie Thomas, Thomas Iellici, Mihyun Park, Elisabeth Klaus, Andrea Bileck, Christopher Gerner, Samuel Meier-Menches, Angela Casini

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

10.26434/chemrxiv-2025-s8wbv

Posted

Aug 13, 2025

Felix Riccius, Nicolas Bergmann, Hendrik H. Heenen, Karsten Reuter

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

10.26434/chemrxiv-2025-pbt42

Posted

Aug 13, 2025

Nehil Shreyash, Maninderjeet Singh, Karan Paswan, Nour Badeer, Mohammad Hassan, Jack Douglas, Gul Zerze, Alamgir Karim

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

10.26434/chemrxiv-2025-2n6f2

Posted

Aug 13, 2025

Megan Matter, Rory Devin, Erin Stache

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

10.26434/chemrxiv-2025-st87c

Posted

Aug 13, 2025

Caleb Cox, Edward Pimentel, Beck Miller, Daniel Nesbitt, Justice LeMonds, Ethan Hartman, Tate Hancock, Robert Kennedy, Joshua Coon, Matthew Sigman, Jeffrey Martell

DNA-Scaffolded Ultrahigh-Throughput Reaction Screening

10.26434/chemrxiv-2025-lm981

Posted

Aug 13, 2025

Sithumi Liyanage, Meredith Schervish, Habeeb Al-Mashala, Katrina Betz, Akansha Sharma, Manabu Shiraiwa, Elijah Schnitzler

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

10.26434/chemrxiv-2025-ft12g

Posted

Aug 13, 2025

Qiushi Guan, Feng Wang, Fang Huang, Yanlu Xing, Weihua Liu, Jun Cheng, Yuan Mei

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

10.26434/chemrxiv-2025-zl28h

Posted

Aug 13, 2025

Shengli Jiang, Michael Webb

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

10.26434/chemrxiv-2025-td5v6

Posted

Aug 13, 2025

Yuxuan Ge, Fan Rong, Zixin Wang, Yujia Lu, Yanwen Zhang, Yijun Cheng, Junsheng Chen, Yin Wang

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

10.26434/chemrxiv-2025-wl6n4

Posted

Aug 13, 2025

Pascal Kolodzeiski, Michael Strobl, Louis Frentzel-Beyme, Michael Paulus, Christian Sternemann, Christian Nelle, Kai Terlinden, Jianbo Song, Sebastian Henke

Understanding the High-Pressure Behavior of MOF-74-Type Materials: The Influence of Metal Identity and Linker Extension

10.26434/chemrxiv-2025-s9rsg

Posted

Aug 13, 2025

Subhankar Paul, Zihan Li, Sagar Biswas, Debjit Biswas, Arka B. Dey, Celine Besnard, Takuji Adachi, G. N. Manjunatha Reddy, Debangshu Chaudhuri

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

10.26434/chemrxiv-2025-124fx

Posted

Aug 13, 2025

Naila Nasirova, Gregor Kaljula, Elina Leis, Darja Lavogina

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

10.26434/chemrxiv-2025-sqc3d

Posted

Aug 13, 2025

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

Lujie Xu, David Rombach

10.26434/chemrxiv-2025-zz2qx

Posted

Aug 13, 2025

The history of high-pressure homogenization

Andreas Håkansson

10.26434/chemrxiv-2025-rr6nz

Posted

Aug 13, 2025

Oliver Hammond, Roman de la Presilla, Olga Shebanova, Akepati Bhaskar Reddy, Guillaume Bousrez, Sangjin Kim, Yoon Han Lee, Gabriel Calderon-Salmeron, Ricardo Martins, Juan Zapata, Kee Hoon Kim, Oleg Antzutkin, Mark Rutland, Anja Mudring, Sergei Glavatskih

Are Ionic and Molecular Liquids Distinct at Extreme Pressures?

10.26434/chemrxiv-2025-dq5hl

Posted

Aug 13, 2025

Ruijie Yi, Xiaoyong Mo, Jingtao Zhou, Fulai Liu, Yong Chen, Edmund Chun Ming Tse

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

10.26434/chemrxiv-2025-gmhkj

Posted

Aug 13, 2025

Ömer Omar, Daniele Padula, Kate Morrison, Krzysztof Pawlak, Alexander Ciupa, David Havasi, Alessandro Troisi

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

10.26434/chemrxiv-2025-5z172

Posted

Aug 13, 2025

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

Aleksandra Polak

Posted

Aug 13, 2025

10.33774/apsa-2025-p800g

Where is the Post in First-Past-the-Post (and Beyond)? A Logical Model of the Effective District-Wide Threshold

Jack Bailey

Posted

Aug 13, 2025

10.33774/apsa-2025-l4d92

Samiha Sharlin, Fariha Agbere, Kevin Ishimwe, Zuzana Osifová, Ondřej Socha, Martin Dračínský, Tyler Josephson

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

10.26434/chemrxiv-2025-x8h36-v2

Posted

Aug 13, 2025

Ramón Torres-Cavanillas, Hewen Chen, Javier Castells-Gil, Dunia Hidalgo, Maria Arenós-Amat, Christopher S. Allen, Gianluca Fabi, George Ramsay, Eugenio Coronado, Lapo Bogani

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

10.26434/chemrxiv-2025-tn3l1

Posted

Aug 13, 2025

Alexander Korotkevich, Noushine Shahidzadeh, Sander Woutersen, Zuzanna M. Czarnobil, Paul Tinnemans, Hugo Meekes, Alberto Pérez de Alba Ortíz

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

10.26434/chemrxiv-2025-1814n

Posted

Aug 14, 2025

Sayan Bhattacharjee, Triza Pal, Utkarsh Mall, Debangshu Chaudhuri

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

10.26434/chemrxiv-2025-gs7bc

Posted

Aug 14, 2025

Cristina Preston-Herrera, Rory Devin, Megan Matter, Erin Stache

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

10.26434/chemrxiv-2025-4w6g6

Posted

Aug 14, 2025

Juan Santiago Grassano, Ignacio Pickering, Adrian E. Roitberg, Dario A. Estrin, Jonathan A. Semelak

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

10.26434/chemrxiv-2025-lhwt7

Posted

Aug 14, 2025

Electron Density Redistribution as a Descriptor for Excited-state Reactivity

Cristian Guerra

10.26434/chemrxiv-2025-8hn7g-v2

Posted

Aug 14, 2025

Zige Liu, Bojun Liu, Siqin Cao, Xuhui Huang

Revealing Competing Kinetic Pathways in Amphiphilic Pt(II) Complex Self-Assembly via Deep Learning with Graph Neural Networks

10.26434/chemrxiv-2025-qwd69

Posted

Aug 14, 2025

Yoon-Jung Jang, Mohd Shaharyar Wani, Craig Arnold, Erin Stache

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

10.26434/chemrxiv-2025-cl4ld

Posted

Aug 14, 2025

Varun Gopal, Clara Kirkvold, Adrian Gordon, Jason Goodpaster, Sapna Sarupria

Solvent-Inclusive ML/MM Simulations: Assessments of Structural, Dynamical, and Thermodynamic Accuracy

10.26434/chemrxiv-2025-dlr6c

Posted

Aug 14, 2025

Olakunle Akinola, Nicholas Borotto

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

10.26434/chemrxiv-2025-c1thl-v3

Posted

Aug 14, 2025

Finnian Freeling, Ramón Mira de Orduña Heidinger

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

10.26434/chemrxiv-2025-rd6ps-v2

Posted

Aug 14, 2025

Ji Huang, Tim Kowalczyk, Yoshio Nishimoto, Daisuke Yokogawa

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

10.26434/chemrxiv-2025-sj381

Posted

Aug 14, 2025

Dedy Leonardo Nadeak, Michael Wiederstein, Sabine Baumgartner, Elisabeth Reiter, Rudolf Krska, Stephan Freitag

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

10.26434/chemrxiv-2025-dfl0c

Posted

Aug 14, 2025

Tonish Kumar Sahu, Biswajit Panda, Tabrez Khan

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

10.26434/chemrxiv-2025-zw0mc

Posted

Aug 14, 2025

Nisarg Shah, Gargi Sharma, Vihaan Patel, Gia Bao Le, Melinda Wu, Anishreddy Mummadi, Anya Taneja, Moksh Shah, Madhav Krishna, Harman Brah

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

10.26434/chemrxiv-2025-25vw8

Posted

Aug 14, 2025

Mateusz Pawlak, Aleksandra Wajda, Zofia Rejman, Maciej Roman, Tomasz Wróbel, Agnieszka Kaczor

Hitchhikers to chirality: nanostructure-triggered amplification of molecular chiral signal transferred via carbon dots

10.26434/chemrxiv-2025-p9wkb-v3

Posted

Aug 14, 2025

Fleming Kretschmer, Eva-Maria Harrieder, Michael Witting, Sebastian Böcker

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

10.26434/chemrxiv-2024-wd5j8-v3

Posted

Aug 14, 2025

Shaoren Yuan, Moustafa Gabr

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

10.26434/chemrxiv-2025-3j84j

Posted

Aug 14, 2025

Stanislav Melnikov, Vishal Chugh, Donghun Hwang, Mu-Hyun Baik, Daniel L. J. Broere

The Role of Quantum Tunneling in Metal-Ligand Proton Tautomerism

10.26434/chemrxiv-2025-m8xb2

Posted

Aug 14, 2025

Josef Rizell, Victor Vanpeene, Martina Olsson, Jan Jamroz, Valentin Vinci, Olga Stamati, Julie Villanova, Sandrine Lyonnard, Aleksandar Matic

Revealing Li growth modes using X-ray nano-tomography

10.26434/chemrxiv-2025-wf4wx-v2

Posted

Aug 14, 2025

Angus Shephard, Lucie Pedussaut, Linda De Marchi, Luca Demonti, Thayalan Rajeshkumar, Nicolas Casaretto, Laurent Maron, Grégory Danoun, Thomas Simler, Gregory Nocton

Room Temperature Dinitrogen Cleavage and Hydrogenation with Organometallic Complexes of Uranium

10.26434/chemrxiv-2025-grk3r-v3

Posted

Aug 14, 2025

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

Wen Xing, Juan Yang

10.26434/chemrxiv-2024-tq75v-v3

Posted

Aug 14, 2025

Jacob Brown, Irwing Ramirez, Jenny Burt, Nellie Chourmouziadi Laleni, Philip Davies, Luisa Orsini, Jason Stafford

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

10.26434/chemrxiv-2025-q8414

Posted

Aug 14, 2025

Kepler Petzall, Benjamin J. Rhodes, Yongqiang Wang, Teedhat Trisukhon, Hari Kukreja, S. Alexandra Lim, Phillip J. Milner, Alexander C. Forse

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

10.26434/chemrxiv-2025-qclfl

Posted

Aug 14, 2025

Carlotta Scarponi, Fernando P. Cossio, Jesús Ruiz-Cabello, Ermal Ismalaj

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

10.26434/chemrxiv-2025-0dn0b

Posted

Aug 14, 2025

Christina Derichsweiler, Jan Stegemann, Julia Ackermann, Svenja Herbertz, Sebastian Kruss

Detection of CRP in Serum with Near-Infrared Fluorescent Sensors

10.26434/chemrxiv-2025-n1zkz

Posted

Aug 14, 2025

Dileep Paladugu, Mads Hartvig Clausen, Nikolay Khanzhin

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

10.26434/chemrxiv-2025-drl81-v2

Posted

Aug 14, 2025

Matthias Steiner, Johanna M. Uher, Jürgen Lindner, Cordula M. Zeiler, Christian Slugovc

Harnessing carbenoid reactivity from imidazoles and oxiranes

10.26434/chemrxiv-2025-q70q9-v2

Posted

Aug 14, 2025

Hong Chen, Pervin Bal, Oliver Clemens

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

10.26434/chemrxiv-2025-1p97d

Posted

Aug 14, 2025

Naoki Oku, Keito Fuke, Ken Yamazaki, Yasunori Matsui, Hiroshi Ikeda, Tomoya Miura

Photooxidative Copper(II) Catalysis for Promoting anti-Markovnikov Hydration of Alkenes

10.26434/chemrxiv-2025-qd33b

Posted

Aug 14, 2025

Classical combination frequencies in vibrational spectra

Giacomo Botti

10.26434/chemrxiv-2025-zhckl

Posted

Aug 14, 2025

Mark Chadwick, Sara Belazregue, Tobias Kraemer, George Britovsek, Liam Parkin

Dinitrogen Reduction by PCP-supported Titanium Complexes

10.26434/chemrxiv-2025-6dwz8

Posted

Aug 14, 2025

Pritam Ghosh, Huyen Dinh, Oliver Seitz

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

10.26434/chemrxiv-2025-l22xp

Posted

Aug 14, 2025

Ye Yu, Zikai Xie, Man Luo, Adam Redfearn, Arianna Brandolese, Chenxi Sheng, Andrew Dove, Xiaolong Zhang, Linjiang Chen, Jun Jiang

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

10.26434/chemrxiv-2025-vbvnx

Posted

Aug 14, 2025

Zongling Ren, Jonathan Singer, Jae-Hwang Lee

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

10.26434/chemrxiv-2025-w2wrt

Posted

Aug 14, 2025

Piotr Banachowicz, Antoni Powała, Kitti Szabó, Oksana Danylyuk, Dorota Gryko

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

10.26434/chemrxiv-2025-j2248

Posted

Aug 14, 2025

Zefan Wang, Jiale Zeng, Chunbo Zhang

Stretching induced crystallization in less entangled rubbers

10.26434/chemrxiv-2025-w3rn2

Posted

Aug 14, 2025

Gary J. Tarver, Ian H. Gilbert, Christopher Bailey, Alex Cookson, Kirsty Cookson, Fraser Hughes, Paul G. Wyatt

Nanomolar Acoustic Droplet Ejection to Measure Plate Based Chemistry Reactivity Profiles

10.26434/chemrxiv-2025-ps7nn

Posted

Aug 14, 2025

christoph bueschl, Tomas Rypar, Lenka Molcanova, Juraj Markus, Bernhard Seidl, Maria Doppler, David Ruso, Christina Maisl, Karel Smejkal, Rainer Schuhmacher

AnnoMe: A python package for MS/MS spectra classification

10.26434/chemrxiv-2025-k5v51

Posted

Aug 14, 2025

Francesco Vicentini, Aina Rebasa-Vallverdu, Martina Conti, Simone Dal Zilio, Aharon Steffè, Wuge H. Briscoe, Pierangelo Gobbo

Mechanical energy drives dissipative self-assembly of nano-coacervates into vesicles with cell-like properties

10.26434/chemrxiv-2025-bf9p3

Posted

Aug 14, 2025

Hadar Nasi, Maria Chiara di Gregorio, Ifat Kaplan-Ashiri, Katya Rechav, Lothar Huoben, Vlad Brumfeld, Irit Goldian, Sidney R Cohen, Xiao-Meng Sui, Nir Kampf, Linda J. W Shimon, Michal Lahav, Milko van der Boom

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

10.26434/chemrxiv-2025-xczkf

Posted

Aug 14, 2025

Katharina Ueltzen, Aakash A. Naik, Christina Ertural, Philipp Benner, Janine George

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

10.26434/chemrxiv-2025-xj84d

Posted

Aug 14, 2025

Jaehee Park, Jinkwan Jung, Seungbo Yang, Dong Hyeon Kim, Jeong Beom Lee, Jin An Sam Oh, Hedi Yang, Mahadeen Nashiru, Chen-Jui Huang, Ying Shirley Meng

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

10.26434/chemrxiv-2025-shdxv

Posted

Aug 14, 2025

Michał Ociepa, Diksha Chauhan

Fragmentation of Cyclic Oximes to Alkynes Enabled by Anomeric Amides

10.26434/chemrxiv-2025-j62lz

Posted

Aug 15, 2025

Saeid Zahedi Asl, Shayan Abaei, Hosein Alimardani, Mohammadreza Beydaghdari, Fahimeh HooriAbadSaboor, Mehrdad Asgari

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

10.26434/chemrxiv-2025-kxp9x

Posted

Aug 15, 2025

Esteban Zingales, Juan Sanchez-Camacho, Jessica Walker, Luca Salassa, Carlos Sanchez-Cano

A Snapshot Of Flavin-Conjugated Pt Anticancer Agents: Pt(IV)-To-Pt(II) Reduction Revealed By X-Ray Fluorescence Imaging And XANES

10.26434/chemrxiv-2025-chsfq

Posted

Aug 15, 2025

Shilin Yao, Katrin Heinzerling, Sam A. J. Hillman, Filip Podjaski, Tianhao He, Alberto García-Baldoví, Yasmine Bagdadi, Khaled Dassouki, Hermenegildo García, Salvador Eslava, Nathalie Steunou, Soranyel Gonzalez-Carrero, Sergio Navalón, Georges Mouchaham, Christian Serre, James R. Durrant

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

10.26434/chemrxiv-2025-h2h2z

Posted

Aug 15, 2025

Sam A. J. Hillman, Menghan Xu, Haijian Tong, Lu Peng, Caiwu Liang, Yuanxing Fang, Christian Mark Pelicano, James R. Durrant

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

10.26434/chemrxiv-2025-3031p

Posted

Aug 15, 2025

Economics

Version undefined posted 17 August 2025

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

houssam boughabi

Posted

Aug 17, 2025

10.33774/coe-2025-dkx44

Maryam Alihosseini, Samaneh Salek, Joshua Byers, Guillaume Goubert

Activity of MXene Single Flakes in situ using SECCM

10.26434/chemrxiv-2025-7wpgf

Posted

Aug 18, 2025

Adam Pickett, Jacob Campbell, Katherine Cox, Zainab Bello, Erin Johnson, Carlie Charron

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

10.26434/chemrxiv-2025-v9n8t

Posted

Aug 18, 2025

Ayan Santra, Piyali Mahapatra, Prateek Saini, Srinivasan Ramakrishnan

Electrocatalytic Promiscuity of a Coordinatively Saturated Iron Complex via Ligand Fluxionality and Internal Electric Fields

10.26434/chemrxiv-2025-gr01x

Posted

Aug 18, 2025

Pradeep Narayanaswamy, Wai Kin Tham, Venkatesha Gaddemane, Hyungwon Choi, Eva Duchoslav

LipiSonics: An Enhanced High-Throughput Lipidomics Workflow Using Acoustic Ejection Mass Spectrometry

10.26434/chemrxiv-2025-9gs4f

Posted

Aug 18, 2025

Mahendra Kothottil Mohan, Olga Bragina, Sofija Mosjakina, Yevgen Karpichev

Antibacterial Properties of Heteronium Lignin Containing Materials Against ESKAPE Pathogens

10.26434/chemrxiv-2025-zmlgw

Posted

Aug 18, 2025

Jonathan Cobb, Henry Dodge, Zoe Stuart, Elvis Perez Galarza, Shrabanti Bhattacharya, Changho Yoo, Chun-Hsing Chen, Alexander Miller

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

10.26434/chemrxiv-2025-jfl8g

Posted

Aug 18, 2025

Thejas S. Wesley, Yuriy Román-Leshkov, Yogesh Surendranath

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

10.26434/chemrxiv-2025-74lnv

Posted

Aug 18, 2025

Josh Smith, Aaron Richardson, Corentin Beaumal, Marina Ainciburu, Sara Carillo, Anna Pashkova, Tabiwang Arrey, Nicolaie Eugen Damoc, Colin Clarke, Jonathan Bones

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

10.26434/chemrxiv-2025-x55kq

Posted

Aug 18, 2025

Sarah Martell, Toren Hynes, Samantha Knight, Anastasiia Kutulska, Mita Dasog

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

10.26434/chemrxiv-2025-zjsrt

Posted

Aug 18, 2025

Masamu Kawada, Ziyu Cui, Justin Chen, Reis Dorit, Jaeho Cho, Seunghyun Sim

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

10.26434/chemrxiv-2025-db7hx

Posted

Aug 18, 2025

Congjun Yu, Yibin Xue, Liyan Kan, Linda Yiu, Guangbin Dong

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

10.26434/chemrxiv-2025-r0r7n

Posted

Aug 18, 2025

Rafiuzzaman Pritom, Md Mahbubul Islam

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

10.26434/chemrxiv-2025-5dfpj

Posted

Aug 18, 2025

Armstrong’s Exclusion-Zone SASA Formula and Model

Dylan Armstrong

10.26434/chemrxiv-2025-jtx55-v3

Posted

Aug 18, 2025

Ivan Turan, Taylor Sparks

Revolutionizing Scientific Figure Decoding: Benchmarking LLM Data Extraction Performance

10.26434/chemrxiv-2025-pcq8d

Posted

Aug 18, 2025

Abhishek Udnoor, Samikannu Prabu, Madhan Vinu, Matouš Kloda, Andrii Mahun, Libor Kobera, Michael G. S. Londesborough, Kung-Yuh Chiang, Jan Demel

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

10.26434/chemrxiv-2025-3xk3s

Posted

Aug 18, 2025

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

Takaaki Fujita

10.26434/chemrxiv-2025-8d07j

Posted

Aug 18, 2025

Boya Feng, Mattia Lepori, Michał Domański, Prakash C. Tiwari, Guodong Zhang, Timothy Noël, Joshua Philip Barham

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

10.26434/chemrxiv-2025-r2760

Posted

Aug 18, 2025

TANMAY DAS, Mrittika Mohar

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

10.26434/chemrxiv-2025-pqzgw

Posted

Aug 18, 2025

Sani Yahaya, Shuntaro Amano, Federico Nicoli, Giulio Ragazzon

A Versatile Strategy for Light-driven Active Transport of Ions

10.26434/chemrxiv-2025-z2s7r

Posted

Aug 18, 2025

Sujit Kumar Das, Heqi Xi, Itsuki Yamamoto, Katsumasa Fujita, Ankona Datta

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

10.26434/chemrxiv-2025-j5k0s-v2

Posted

Aug 18, 2025

Yuna Shimazaki, Hiroshi Ueda, Takashi Kikuchi, Yusuke Nishiyama, Toshiro Fukami

Discovery of a New Polymorph, κ-form of Indomethacin

10.26434/chemrxiv-2025-hb6q3

Posted

Aug 18, 2025

Grier Jones, Konstantinos Vogiatzis

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

10.26434/chemrxiv-2025-dl4sb

Posted

Aug 18, 2025

Timo M. O. Felder, Wei Shi, Daniel T. Sun, Till Schertenleib, Emad Oveisi, Jordi Espín, Wendy L. Queen

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

10.26434/chemrxiv-2025-ztgnr

Posted

Aug 18, 2025

George Baffour Pipim, Kevin Sampson, Jose Torres, Noah Tingey, Kylar Flynn, Daniel Depew, Joseph Wang, Anna Krylov

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

10.26434/chemrxiv-2025-wsw0l-v2

Posted

Aug 18, 2025

Sanjana Auditto, Riccardo Carzino, Maria Summa, Michele Oneto, Marco Scotto, Niloofar Paknezhad, Simone Lauciello, Paolo Bianchini, Rosalia Bertorelli, Athanassia Athanassiou

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

10.26434/chemrxiv-2025-wmmtw-v2

Posted

Aug 18, 2025

Esteban Bautista, Melody Sun, Michael Colwin, Albert R. La Spada, Seunghyun Sim

Bactericidal activities of copolymers incorporating formylphenyl motif for targeting surface proteins

10.26434/chemrxiv-2025-qv01g

Posted

Aug 18, 2025

Nikhitha R, Anirban Mondal

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

10.26434/chemrxiv-2025-7lkh7

Posted

Aug 18, 2025

Saeed Mardi, Andrew J. Naylor, Jonas Mindemark, Guiomar Hernández

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

10.26434/chemrxiv-2025-chjp9

Posted

Aug 18, 2025

Kimihiko Kobayashi, Kyohhei Fujita, Ryosuke Kojima, Rumi Hino, Yasuteru Urano, Masaaki Sato

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

10.26434/chemrxiv-2025-fzfpl

Posted

Aug 18, 2025

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

Prasanna Kulkarni

10.26434/chemrxiv-2025-737cq

Posted

Aug 18, 2025

William Bro-Jørgensen, Junfeng Lin, Joseph M. Hamill, Gemma C. Solomon

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

10.26434/chemrxiv-2025-wt6rd

Posted

Aug 18, 2025

Maliheh Shaban Tameh, Veaceslav Coropceanu, Thomas Purcell

The Artificial Intelligence Guided Search for New CHIPs Comonomers

10.26434/chemrxiv-2025-kp25m-v2

Posted

Aug 18, 2025

Helen Clifford, Matthew Hennefarth, Donald Truhlar, Laura Gagliardi

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

10.26434/chemrxiv-2025-dksr2-v2

Posted

Aug 18, 2025

Niyati Arora, Jessica Arcudia, Chamila Bandara, Katarzyna Drewniak, Sumon Chakrabarty, Rebecca Johnson, Noora Al-Kharji, Andrés Cisneros, Ronald Smaldone

Biomimetic Pore Engineering in Two-Dimensional Covalent Organic Frameworks

10.26434/chemrxiv-2025-6ql5w

Posted

Aug 18, 2025

Saumitra Rai, Xinyi Zhang, Natasha Wright, William Arnold, Paige Novak, Jeremy Guest

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

10.26434/chemrxiv-2025-t3ft3

Posted

Aug 18, 2025

Anna Faizdrakhmanova, Vladimir Kharitonov, Yulia Nelyubina, Igor Ushakov, Aleksandra Vidyakina, Natalia Danilkina, Dmitry Loginov, Andrey Lvov

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

10.26434/chemrxiv-2025-n4l6z

Posted

Aug 18, 2025

Fabio Gomes, Kanchan Pathak

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

10.26434/chemrxiv-2025-r0j5p

Posted

Aug 18, 2025

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

Shea Minter

Posted

Aug 18, 2025

10.33774/apsa-2025-vnl8r

SENTHILKUMAR ANANTHARAMAN

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

Posted

Aug 18, 2025

10.33774/apsa-2025-fd6gn

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

Hoi Kee Tsang

Posted

Aug 18, 2025

10.33774/apsa-2025-pgkhj

Md Sharif Khan, Bourgeois Gadjagboui, Oliviero Andreussi

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

10.26434/chemrxiv-2025-vl9mj

Posted

Aug 19, 2025

Bhawyanth Duvvuru, Myles Smith

Total Synthesis of Annotinolide B via Sequential Quinoline Dearomatization

10.26434/chemrxiv-2025-z0nt2

Posted

Aug 19, 2025

Faiqa Khaliq, Ryan Beck, Erik Sevensson Grape, Golnaz Navidi, Miles Griffith, Checkers Marshall, Xiaosong Li, Carl Brozek

Size-Dependent Band Gaps in Metal-Organic Framework Nanoparticles

10.26434/chemrxiv-2025-42x1t

Posted

Aug 19, 2025

Mohamadreza Ramezani, Poulomi Nandi, Pablo De La Fuente-Moreno, Majid Beidaghi

BRINE: a cost-effective electrochemical self-driving laboratory for accelerated discovery of high-performance electrolytes

10.26434/chemrxiv-2025-nnfcl

Posted

Aug 19, 2025

Mark Archibald, Ian Bruno, Stuart Chalk, Antony Davies, Robert Hanson, Stefan Kuhn, Robert Lancashire, Henry Rzepa

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

10.26434/chemrxiv-2025-vqhnd-v2

Posted

Aug 19, 2025

Revanth Elangovan, Dhiman Ray

Enhanced Sampling of Ligand Binding Coupled to RNA Conformational Dynamics

10.26434/chemrxiv-2025-hnc4c

Posted

Aug 19, 2025

Nico Groß, Bojan Tanovic, Frank Hampel, Henry Dube, Ani Ozcelik

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

10.26434/chemrxiv-2025-r2f6k

Posted

Aug 19, 2025

Hiu-Lok Ngan, Jialing Zhang, Yi Chen, Yuanyuan Song, Zenghua Qi, Zhu Yang, Hong Yan, Zongwei Cai

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

10.26434/chemrxiv-2025-ggmsg

Posted

Aug 19, 2025

Muhammad Ans, Eleni Fiamegkou, Ashok S. Menon, Gaurav C. Pandey, Galo J. Páez Fajardo, Harry Gillions, Paolo Melgari, Calum Clenahan, Satish Bolloju, Pardeep K. Thakur, Tien-Lin Lee, Serena A. Cussen, Beth I. J. Johnston, Louis F. J. Piper

Unravelling the Role of AlxOy Coatings in LiNiO2 Cathodes via Operando and Surface-Sensitive X-ray Techniques

10.26434/chemrxiv-2025-2wm2m

Posted

Aug 19, 2025

Linfeng Xu, James Le Houx, Vyacheslav Kachkanov, Jinsong Zhang, Robin Wullich, Thomas Schmidt, Mario El Kazzi

Operando X-ray Computed Tomography Reveals the Role of Interfacial Nucleation Nanolayers in Suppressing Mechanical Failure in Zero-Excess Lithium All-Solid-State Batteries

10.26434/chemrxiv-2025-k4wd7-v2

Posted

Aug 19, 2025

Sreekanth Kunchapu, Kevin Maik Jablonka

PolyMetriX: An Ecosystem for Digital Polymer Chemistry

10.26434/chemrxiv-2025-s2f2r-v2

Posted

Aug 19, 2025

Amir Mohseni Armaki, Yaqi Guo, Majid Ahmadi, Roan Streefland, Patrick S. Bäuerlein, Arjan Mol, Sidhant Kumar, Peyman Taheri

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

10.26434/chemrxiv-2025-mcm8g-v2

Posted

Aug 19, 2025

Pradip Pachfule, Avanti Chakraborty, Uttam Pal, Sonali Priyadarshini Swain, Sudipa Mondal, Akhtar Alam, Tanusri Saha-Dasgupta

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

10.26434/chemrxiv-2025-53dhs

Posted

Aug 19, 2025

Alex Szyperek, Sudchananya Udomphan, Qiyun Xue, John Carbone, Zoe Katz, Max Majireck

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

10.26434/chemrxiv-2025-1r7rt

Posted

Aug 19, 2025

Chun-I Wang, Aidan Lindsay, Nicholas Jackson

Machine Learning Intermolecular Electronic Couplings: Opportunities and Challenges

10.26434/chemrxiv-2025-w0q5r

Posted

Aug 19, 2025

Markus Orsi, Jean-Louis Reymond

Assigning the Stereochemistry of Natural Products by Machine Learning

10.26434/chemrxiv-2024-zz9pw-v3

Posted

Aug 19, 2025

Almaz Gainullin, Tagir Akhmetshin, Dmitry Zankov, Olga KLIMCHUK, Dragos Horvath, Timur Madzhidov, Alexandre Varnek

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

10.26434/chemrxiv-2025-lnkz6

Posted

Aug 19, 2025

Qing Hong, Yuanjie Ma, Caixia Zhu, Kaiyuan Wang, Hong Yang, Kaiqing Wu, Yanfei Shen, Songqin Liu, Xuejiao J. Gao, Yuanjian Zhang

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

10.26434/chemrxiv-2024-8h98c-v4

Posted

Aug 19, 2025

Seokmin Kang, Wentao Cen, Jeanette Piña, Fernando Ramirez, Andy Thomas

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

10.26434/chemrxiv-2025-wv3gr

Posted

Aug 19, 2025

Julia Martin, Tong Zhan, Deshka Neill, Ke Xu, Evan Miller

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

10.26434/chemrxiv-2025-qh3lh

Posted

Aug 19, 2025

Rodion Shishkov, Alfred Laugros, Nicola Vigano, Sylvain Bohic, Dmitry Karpov, Peter Cloetens

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

10.26434/chemrxiv-2025-lsxpc

Posted

Aug 19, 2025

Satya Prakash Panda, M. Siva Prasad, Prahallad Meher, Oliver Reiser, Sandip Murarka

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

10.26434/chemrxiv-2025-n7c2s

Posted

Aug 19, 2025

Yosuke Matsuo, Ryo Ohtsuka, Yoshinori Saito, Koji Yamada, Takashi Tanaka, Fumika Yakushiji

Stereochemical Revision of Brevipetins E and F: Opposite Atropisomerism in Ellagitannin Dimers Revealed through DFT-Based Spectroscopic Analysis

10.26434/chemrxiv-2025-dsdpf

Posted

Aug 19, 2025

Twinkle Patel, Makayla Williams, Jessica Linder, Sakshi Shah, Matthew Moschitto

Sulfonylation of anilines through photocatalytic activation of N-hydroxymethylphthalimide sulfones

10.26434/chemrxiv-2025-ql10s

Posted

Aug 19, 2025

Michelle Ernst, Tomasz Poręba

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

10.26434/chemrxiv-2025-cm0p1

Posted

Aug 19, 2025

Jiawei Li, Minzhou Li, Qi Yang, Sanzhong Luo

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

10.26434/chemrxiv-2025-t110q

Posted

Aug 19, 2025

Lan Mi, Sima Khajouei, Mingxu You

Multiplexed RNA imaging and in situ profiling in living cells

10.26434/chemrxiv-2025-m950n

Posted

Aug 19, 2025

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

Noureddine Djama

10.26434/chemrxiv-2025-mpf47

Posted

Aug 19, 2025

Kexin Su, Luc Van Meervelt, Steven H. L. Verhelst, Wim M. De Borggraeve, Joachim Demaerel

Fluorothiazynes as SuFEx Ambiphiles: Interconversion to Aminosulfurdiimidoyl Fluorides

10.26434/chemrxiv-2025-t7vsj

Posted

Aug 19, 2025

Shyamapada Nandi, Debanjan Chakraborty, Ayoub Daouli, Iurii Dovgaliuk, Nicolas Heymans, Ieuan Cornu, Pierre Florian, Guy De Weireld, Guillaume Maurin, Farid Nouar, Georges Mouchaham, Christian Serre

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

10.26434/chemrxiv-2025-1n62k

Posted

Aug 19, 2025

Xintong Zhao, Jair Fernando Fajardo Rojas, Jacob Furst, Katherine Ardila, Kyle Langlois, Yuan An, Xiaohua Hu, Fernando Uribe-Romo, Diego Gomez-Gualdron, Jane Greenberg

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

10.26434/chemrxiv-2025-x90hc

Posted

Aug 19, 2025

Boyang Ni, Douglas Houston

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

10.26434/chemrxiv-2025-bf5g7

Posted

Aug 19, 2025

Presentation

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

Ian M. Davis

Posted

Aug 19, 2025

10.33774/coe-2025-fnqqm

Fermat's Last Theorem 6th Way

Posted

Aug 19, 2025

10.33774/coe-2025-jnl7n

Fermat's General Case 6th Way

Posted

Aug 19, 2025

10.33774/coe-2025-h5x04

Fermat's General Case 4th Way

Posted

Aug 19, 2025

10.33774/coe-2025-5v8bn

Fermat's Last Theorem 4th Way

Posted

Aug 19, 2025

10.33774/coe-2025-q0k0m

Volodymyr Kaplunenko, Mykola Kosinov

REVOLUTION IN DIAMOND SYNTHESIS: A unified mechanism of diamond crystallogenesis in nature and in laboratory synthesis. The law of diamond crystallogenesis

Posted

Aug 19, 2025

10.33774/coe-2025-56869

Music

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

Dafina Zeqiri Nushi

Posted

Aug 19, 2025

10.33774/coe-2025-5c3kh

Economics

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

houssam boughabi

Posted

Aug 19, 2025

10.33774/coe-2025-x9qcs

Gloria Bazargan, Mark Romanczyk, Kate Fachet

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