Archive | ChemRxiv | Cambridge Open Engage

10.26434/chemrxiv-2024-prw8k-v2

Posted

Feb 03, 2025

Robert-Cristian Raclea, Marius Mewald, Kolby L. White, Mohammad Movassaghi

Total Synthesis of (+)-Hazuntiphylline, (–)-Anhydrohazuntiphyllidine, and (–)-Hazuntiphyllidine

10.26434/chemrxiv-2025-75jk6-v2

Posted

Feb 03, 2025

Mari C. Mañas-Torres, Paola Alletto, Simone Adorinni, Attilio Vargiu, Luis Alvarez de Cienfuegos, Silvia Marchesan

Racemic peptide assembly boosts biocatalysis

10.26434/chemrxiv-2025-0vknv

Posted

Feb 03, 2025

Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Sheikh, Michael Shirts, Matteo Salvalaglio

Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models

10.26434/chemrxiv-2024-1lm95-v3

Posted

Feb 03, 2025

Arun Asundi, Roel Bienenmann, Daniel Broere, Ritimukta Sarangi

X-ray Spectroscopy Characterization of Electronic Structure and Metal-Metal Bonding in Dicobalt Complexes

10.26434/chemrxiv-2024-dmm7x-v2

Posted

Feb 03, 2025

Artiom Skripka, Emory Chan

Unraveling the Myths and Mysteries of Photon Avalanching Nanoparticles

10.26434/chemrxiv-2024-70qxn-v2

Posted

Feb 03, 2025

Daniel Gutiérrez-Martín, Áurea Varela, Almudena Torres-Pardo, María Hernando, Emilio Matesanz, José María González-Calbet, David Portehault, Marina Parras

BaNiO3 electrocatalysts for oxygen evolution reaction: the role of synthetic methods

10.26434/chemrxiv-2024-n8bj6-v2

Posted

Feb 03, 2025

Sofia Kolin, Moritz Marquardt, Gotthold Fläschner, Stefan Naumann, Kristyna Pluhackova

Molecular determinants of solvent nanoseparation by nanoporous carbon materials

10.26434/chemrxiv-2025-0p0zz

Posted

Feb 03, 2025

Greta Charlotte Dahm, Usman Akhtar, Alix Bouvier-Müller, Laura Lim, Fabienne Levi-Acobas, Pierre Nicolas Bizat, Germain Niogret, Julian Tanner, Frédéric Ducongé, Marcel Hollenstein

Probing three-dimensional cyclooctatetraene as nucleobase modification in aptamer selection

10.26434/chemrxiv-2025-cglxw

Posted

Feb 03, 2025

Daniel Biri, Ashwin Kumar Rajagopalan, Marco Mazzotti

Autonomous Control of Crystal Size and Shape in Dense Suspensions via Imaging

10.26434/chemrxiv-2025-ft8mt

Posted

Feb 03, 2025

Chemical Education

Timothy Schwantes, Dylan Medina, Brittney Morgan, Abhinandan Banerjee

Green beginnings: creating an affordable advanced enquiry-based experimental nanochemistry learning module with catalytically active ‘green’ iron oxide nanoparticles (IONPs)

10.26434/chemrxiv-2025-d4vtl

Posted

Feb 03, 2025

Eduardo Garcia-Padilla, Guanqi Qiu

Global Kinetic-Thermodynamic Responses: Derivation of a General Non-Linear Equation and Demonstrations on Chemical Reactions

10.26434/chemrxiv-2025-5v2bj

Posted

Feb 03, 2025

Lukas Forschner, Jan-Luca Gembus, Lars Schücke, Peter Awakowicz, Andrew R. Gibson, Timo Jacob, Albert Kilian Engstfeld

Statistical Analysis of the Dynamic Behavior of Individual Discharges During the Ignition and Continuous Phases of Contact Glow Discharge Electrolysis

10.26434/chemrxiv-2025-2v2p7

Posted

Feb 03, 2025

Jakub Wosik, Chaoyi Zhu, S. Hessam M. Mehr

A framework for general-purpose chemical synthesis in the aerosol phase and its automated implementation in an open hardware platform

10.26434/chemrxiv-2025-mkmn0

Posted

Feb 03, 2025

Peter Skrdla, Peter Simon

Isoconversional Methods of Thermal Analysis are Incompatible with Turnbull-Fisher Kinetics: Case Study of Crystallization of Piperine from the Melt

10.26434/chemrxiv-2025-jbvlq

Posted

Feb 03, 2025

Ayari Yamada, Daichi Eguchi, Tokuhisa Kawawaki, Yuichi Negishi, Naoto Tamai

Structure–Property Relationship between Copper Ions and Hot Electron Relaxation in Colloidal Quantum Dots

10.26434/chemrxiv-2025-6ngh9

Posted

Feb 03, 2025

Jonathan M. Mauß, Klara S. Kley, Rohini Khobragade, Nguyen-Khang Tran, Jacopo De Bellis, Ferdi Schüth, Matthias Scheffler, Lucas Foppa

Modelling the Time-Dependent Reactivity of Catalysts by Experiments and Artificial Intelligence

10.26434/chemrxiv-2025-vf7hd

Posted

Feb 03, 2025

Nikolaos - Angelos Stamos, Benjamin Ries, Regina Schneider, Pavleta Tzvetkova, Florian Montel, Christian Jandl, Ulrike Werthmann

Beyond Barriers, Big Crystallisation Hurdles: Atropisomerism in bRo5 Compounds Explored by Computational and NMR Studies

10.26434/chemrxiv-2025-rz4q6

Posted

Feb 03, 2025

Beta Achromi Nurohmah, Motonori Washisaka, Tsuyoshi Kawai, Tsumoru Morimoto

Photorelease Reaction of Alcohol from 1,4-Naphthoquinone-based Photodegradable Molecules

10.26434/chemrxiv-2025-0tls5

Posted

Feb 03, 2025

Hong Thu Duong, Bruno Ortner, Alexander Sutor, Bastien Oliver Burek, Jonathan Bloh

Intensification of Heterogeneous Photocatalytic Reactions using Wireless Light Emitters: The Case Study of Nitrobenzene Reduction

10.26434/chemrxiv-2025-lbw1b

Posted

Feb 03, 2025

A3A-ligand evolution against anti-hypermutational human metastasis

julio coll

10.26434/chemrxiv-2025-0tc6t

Posted

Feb 03, 2025

Reza Sabouri, Bradley Ladewig, Nicholaus Prasetya

A Comprehensive Review and Evaluation of the Hydrogen Separation Performance of Mixed Matrix Membranes

10.26434/chemrxiv-2025-3fw6x

Posted

Feb 03, 2025

Natasha Perry, Gerold Schmitt-Ulms, Pavel Nagorny

Development of CPA-Catalyzed b-Selective Reductive Amination of Cardenolides for the Synthesis of Hydrolytically Stable Analogs

10.26434/chemrxiv-2025-6tnwz

Posted

Feb 03, 2025

Léo Sifringer, Daniel Laguna, Michel Sommer, Janos Vörös

A Multilayer Template Stripping Transfer Printing Method for Engineered Stretchable Electronics

10.26434/chemrxiv-2025-pqnlq-v2

Posted

Feb 03, 2025

Maria Lígia Sousa, Leonor Ferreira, Dora Ferreira, Abel M Forero, Raquel Castelo-Branco, Nikoletta Szemerédi, Gabriella Spengler, Jaime Rodríguez, Carlos Jiménez, Pedro N Leão, Vitor Vasconcelos, Mariana Reis

Decoding Lusichelins A-E: An In-Depth Look at the Metallophores of Lusitaniella coriacea LEGE 07167 – Structure, Production, and Functionality

10.26434/chemrxiv-2025-63fgd

Posted

Feb 03, 2025

Stuart Ibsen, Alaric William Taylor, Luis Antonio Serrano González, Christian Siebel, Elena Marangon, Giuseppe Toffoli, Joachim Boos, Stefan Guldin

Self-Contained Cartridge for Thin Layer Chromatography Based Quantification of Chemotherapy Concentration in Human Clinical Plasma Samples

10.26434/chemrxiv-2025-m6dzz

Posted

Feb 04, 2025

Yash Mishra, Dara Kiran, Hari Mahalingam

Development and Assessment of Boron, Cerium, and Silver Ternary-Doped Titanium Dioxide Photocatalysts for the UV-A Degradation of Ciprofloxacin Antibiotic

10.26434/chemrxiv-2025-0z4rr

Posted

Feb 04, 2025

Dana O'Connor, Paola Buitrago

Examining the Influence of Graph Representation on Property Prediction of Polymorphic Organic Molecular Crystals

10.26434/chemrxiv-2025-9xjh5

Posted

Feb 04, 2025

Earth, Space, and Environmental Chemistry

Kedong Gong, Sandhya Sethuraman, Zifeng Tang, V. Faye McNeill, Vicki Grassian

Size Dependent Uncatalyzed Sulfite Oxidation in Aqueous Microdroplets

10.26434/chemrxiv-2025-ww7xd

Posted

Feb 04, 2025

Eszter Kozma, Ágnes Szatmári, Tibor Novák, György Török, Ivana Nikić-Spiegel, Attila Kormos, Gergely B. Cserép, Alexandra Egyed, Ágnes Horváth, Krisztina Németh, Réka Kereszty, Elvira Czvik, Miklós Erdélyi, Péter Kele

Toward Far-red Emitting Chemogenetic Labelling for Live Cell Super-Resolution Microscopy using Fluorescence-Activating and Absorption-Shifting Tag

10.26434/chemrxiv-2025-k7vd4

Posted

Feb 04, 2025

Roman Belli, Jenna Humke, Sanu Pullarat, Erin Plasek, Sallu Kargbo, Courtney Roberts

Expanding Access to Previously Inaccessible 5-Membered N-Heteroarynes

10.26434/chemrxiv-2024-p68lm-v2

Posted

Feb 04, 2025

Kariana Moreno Sader, Sayandeep Biswas, Rob Jones, Marian Mennig, Reza Rezaei, William H. Green

Battery Electric Long-Haul Trucking in the United States: A Comprehensive Costing and Emissions Analysis

10.26434/chemrxiv-2023-48zsc-v2

Posted

Feb 04, 2025

Kavisha A. Sarma, Isis A. Middleton, Man H. Chak, Jake P. Violi, Mohan Bhadbhade, Jonathon Beves

Ruthenium(II) complexes with photoswitchable and photoejectable ligands

10.26434/chemrxiv-2025-3sffc

Posted

Feb 04, 2025

Kristian Torstensen, Florian Sixt, Abraham Alemayehu, Nicholas S. Settineri, Abhik Ghosh

Doubly Stereogenic Sandwich Compounds: Separation and Characterization of Diastereomeric Metallobiscorroles

10.26434/chemrxiv-2025-2xq3l

Posted

Feb 04, 2025

Baptiste Py, Zilong Wang, Francesco Ciucci, Yuhao Wang

Entropy-based Regularized Regression for Advanced Distribution of Relaxation Times Deconvolution

10.26434/chemrxiv-2025-n6d9n

Posted

Feb 04, 2025

Gabriela Valle-Núñez, Raziel Cedillo-González, Juan F. Avellaneda-Tamayo, Fernanda I. Saldívar González, Diana L. Prado-Romero, José L. Medina-Franco

Machine learning-driven antiviral libraries targeting respiratory viruses

10.26434/chemrxiv-2025-bwdjj

Posted

Feb 04, 2025

Rosmi Reji, Juan P. Vizuet, Xiaoli Yan, Biki Behera, Xin Zheng, Matthew Klenk, Nicholas P. Weingartz, George T. Kostopoulos, Lin X. Chen, Neeraj Agarwal, Peter Zapol, Eliu A. Huerta, Murat Keceli, Ksenija Glusac

Product Selectivity in Photochemical CO2 Reduction by a Post-synthetically Modified Zr-MOF

10.26434/chemrxiv-2025-jjcbv

Posted

Feb 04, 2025

Mengqi TANG, Alexandre Chevillot-Biraud, Stéphanie Lau-Truong, Ahmed Mohamed Khalil, Mohamed Mehdi Chehimi

Understanding the pyrolysis-assisted conversion of metal salt-impregnated biomass into biogas and nanocatalyst-coated porous biochar

10.26434/chemrxiv-2025-s2s0r

Posted

Feb 04, 2025

Michael Liesen, Ryan Hayes, Charles Brooks, Jonah Vilseck

Multiple Molecule λ-Dynamics: Probing Drug Resistance with Concurrent Protein and Ligand Perturbations

10.26434/chemrxiv-2025-m0129

Posted

Feb 04, 2025

Nitesh Tripathi, Arnab Chowdhury, Neelam Verma, Anupam Bandyopadhyay

Introducing the potential binding interface between the TRAIL-mimicking peptide and DR5 via alanine scan

10.26434/chemrxiv-2025-x2921

Posted

Feb 04, 2025

Alexandre Ferreira, Rui Guo, Ivan Marziano, Matteo Salvalaglio

A Gridless Approach to Sampling and Classifying High-Dimensional Conformational Landscapes of Active Pharmaceutical Ingredients

10.26434/chemrxiv-2025-j2n83

Posted

Feb 04, 2025

Aida Fica, McKayla Torbett, Samuel West, Malika Rao, Raman Dhiman, Jun Wang, Yang Gao, Yu-Ming Tu, Harekrushna Behera, Claude Roc, Kyler Grogan, Benjamin Keitz, Robert Hickey, Adrianne Rosales, Berkin Dortdivanlioglu, Stephen Sarles, Manish Kumar

3D-printable bilayer-stabilized jammed emulsions as scalable biological tissue mimics

10.26434/chemrxiv-2025-xccxm

Posted

Feb 04, 2025

PROPERTIES, EFFECTS AND CHEMICAL & BIOLOGICAL METHOD OF SYNTHESIS OF SILVER NANOPARTICLES

VARUN MALI

10.26434/chemrxiv-2025-kclgf

Posted

Feb 04, 2025

Maximilian Fleck, Timo Klenk, Samir Darouich, Marcelle B M Spera, Niels Hansen

A Generalized Deep Entropy Scaling Architecture Framework to Predict Viscosities

10.26434/chemrxiv-2025-jrjj9

Posted

Feb 04, 2025

Polymer Science

Yiwen Zheng, Vikas Varshney, Aniruddh Vashisth

Accelerated ReaxFF Simulations of Vitrimers with Dynamic Covalent Adaptive Networks

10.26434/chemrxiv-2025-5vptv

Posted

Feb 04, 2025

Kosuke Yasui, Masayuki Miyaoka, Yuichiro Tomishima, Koji Hirano

Stereoselective Generation and Use of α-Fluorovinyl Radicals via Mesolytic Cleavage of C(sp2)–S Bond of α-Fluorovinyl Sulfoximines

10.26434/chemrxiv-2025-1kzz4

Posted

Feb 04, 2025

Shinnosuke Horiuchi, Shota Ogura, Kazuya Otsubo, Yuka Ikemoto, Hisao Kiuchi, Go Watanabe, Osamu Takahashi, Mikihiro Hayashi, Eri Sakuda, Yasuhiro Arikawa, Keisuke Umakoshi, Yoshihisa Harada

Low-entropy Supramolecular Crystals: Elucidating the Inhomogeneity of Interfacial Water Molecules at Atomic Resolution

10.26434/chemrxiv-2025-gl0qz

Posted

Feb 04, 2025

Woei Jer Ng, Aydar Rakhmatullin, Kateryna Goloviznina, Mathieu Salanne, Catherine Bessada

Structural Dynamics of Molten NaCl–MgCl2–LaCl3: A Proxy for Molten Chloride Fast Reactor Fuels

10.26434/chemrxiv-2025-q6l1t

Posted

Feb 04, 2025

Claudia F. Echavarría, Daniel Kocsi, Mohamed Abdellah, Starla Glover, Sara H Mejias

The relevance of amino acid-chromophore interactions in protein conformational changes and their impact on chromophore relaxation dynamics

10.26434/chemrxiv-2025-5krws

Posted

Feb 04, 2025

Polymer Science

Basic Concepts and Tools of Artificial Intelligence in Polymer Science

khalid ferji

10.26434/chemrxiv-2025-tk6hx

Posted

Feb 04, 2025

André Matthew R. Tayamen, Sam Amsterdam, Wesley Chang

A model-informed analysis of battery electrodes using non-contact air-coupled ultrasound

10.26434/chemrxiv-2025-957c0

Posted

Feb 04, 2025

Solomon Attionu, Rita Dill, Michael Summers, David Case, Jan Marchant, T Kwaku Dayie

Enhanced Line Narrowing of Selectively Labeled [9-15N] Guanosine Enables Probing of Large RNAs

10.26434/chemrxiv-2025-hftft

Posted

Feb 04, 2025

Laura Bourdon, Gerrit David Wilkens, Samy Dehissi, Salammbô Hotte, Sergii Rudiuk, Mathieu Morel, Ayako Yamada, Gaëtan Bellot, Damien Baigl

Minutes-timescale in situ assembly of DNA origamis with living cells

10.26434/chemrxiv-2025-mh3k7

Posted

Feb 05, 2025

Daniel Manhouli Daawe, Cedric Karel Fonzeu Monguen, Stephane Kenmoe, Patrick Kouotou Mountapmbeme

Investigation of Mn-doping effects on the structural, morphological, thermal, and catalytic properties of Co3O 4 spinel nanoparticles towards CO oxidation

10.26434/chemrxiv-2025-v6kxz

Posted

Feb 05, 2025

Runhan Shi, Chi Zhang, Gufeng Yu, Xiaohong Huo, Yang Yang

ChiralFinder: Automated Detection of Stereogenic Elements and Discrimination of Stereoisomers in Complex Molecules

10.26434/chemrxiv-2025-wz7kh

Posted

Feb 05, 2025

Sree Chithra, Corentin Pigot, Claire Tonnelé, David Casanova, Victor Gray

Chemical Insights to the Electron Transfer from the Triplet Pair State in Singlet Fission Dimers

10.26434/chemrxiv-2025-jw8kc

Posted

Feb 05, 2025

Dario Gomez Vazquez, Travis P. Pollard, Oleg Borodin, Maria R. Lukatskaya

Measuring Zn Transference with Precision: Insights for Dendrite-Free Zinc Metal Anodes

10.26434/chemrxiv-2025-2zrpp

Posted

Feb 05, 2025

Ioannis Kanavos, Douglas Nakahata, Madeleine Barrett, Ancély Ferreira dos Santos, Maria Zubiria-Ulacia, German Pieslinger, Ana Beatriz da Silva Teixeira, Clarissa Rocha, Jonas Eberle, Ryszard Lobinski, Jon Matxain, Matthew Hall, José Pedro Friedmann Angeli, Elias Arnér, Luisa Ronga, Raphael de Paiva

Selective Arylation of Se vs. S by Gold Compounds: Consequences for GPx Inhibition and A375 Sensitivity

10.26434/chemrxiv-2025-h2pz5

Posted

Feb 05, 2025

Konstantin Stracke, Babak Farhadi Jahromi, Guido H. Clever, Rochus Schmid

A Collective Variable for the Control of Solvation in Cage Compounds

10.26434/chemrxiv-2025-r8sgw

Posted

Feb 05, 2025

Luis M. Negrón, Edwin Vázquez-Rosa, Luxene Belfleur, Tanya L. Díaz, Bismark Madera-Soto, Irving E. Vega, Jose M. Rivera

Guanosine-based supramolecular particles for enhanced drug and gene delivery in cell culture

10.26434/chemrxiv-2025-qm64k

Posted

Feb 05, 2025

Arturo Sauza-de la Vega, Andrea Darù, Stephanie Nofz, Laura Gagliardi

Designing Molecular Qubits: Computational Insights into First-Row and Group 6 Transition Metal Complexes

10.26434/chemrxiv-2025-3tg1x-v2

Posted

Feb 05, 2025

Marie-Hélène Pietraru, Antonin Homassel, Emmanuel Nicolas, Thibault Cantat

Simplified carbonylation catalyst based on [Co2(CO)8] and coordinating solvents for the carbonylation of β-lactones and α,β-unsaturated acids to cyclic anhydrides

10.26434/chemrxiv-2024-07h4m-v2

Posted

Feb 05, 2025

On the Photosensitizing Properties of Aloe-Emodin in Photodynamic Therapy: Insights from the Molecular Modeling

Maciej Spiegel

10.26434/chemrxiv-2025-spzw3-v3

Posted

Feb 05, 2025

Rina Mishima, Takuro Nagai, Hiroyo Segawa, Masahiro Ehara, Takashi Uchino

Atomic-Scale Observation of Moiré potential in Twisted Hexagonal Boron Nitride Layers by Electron Microscopy

10.26434/chemrxiv-2024-hbbfj-v2

Posted

Feb 05, 2025

Debtanu Maiti, Michael Harold, Lars Grabow

Single atom alloys 2.0: Exploiting undercoordination for stronger dissociative CH4 chemisorption

10.26434/chemrxiv-2024-vhmz3-v2

Posted

Feb 05, 2025

Pravat Nayek, Buddhadeb Pal, Prasenjit Mal

Visible-Light Photocatalysis Using CsPbX3 Perovskite Nanocrystals for Organic Transformations

10.26434/chemrxiv-2025-vdjb1-v2

Posted

Feb 05, 2025

Christian Chaheine, Louis Conway, Christopher Parker

Fully-Functionalized Natural Product Probes to Expand the Chemical Tractability of the Human Proteome

10.26434/chemrxiv-2025-hfmv4-v2

Posted

Feb 05, 2025

Xin Zheng, Nikita Gupta, Haiying He, Jasleen K. Bindra, Subharaj Hossain, Juan P. Vizuet, Atefeh Nadeali, Danial Zangeneh, Roushan Prakash Singh, Robert F. Klie, Brian P. Chaplin, Kenneth Brezinsky, Oleg G. Poluektov, Jens Niklas, Peter Zapol, Ksenija D. Glusac

Novel Light-Responsive Metal-Organic Framework with Perchlorinated Nanographene Ligands

10.26434/chemrxiv-2025-pl8s1

Posted

Feb 05, 2025

Jose Ruiz, Dylan Turner, Mingchun Gao, Wentao Guo, Tania Shahvali, Emily Jimenez Andrade, Kevin Kong, Beck Miller, James Fettinger, Matthew Sigman, Dean Tantillo, Jared Shaw

Enantioselective Synthesis of Complex Carbocycles by Donor/Donor Carbenes C-H insertion

10.26434/chemrxiv-2025-b1fh6

Posted

Feb 05, 2025

Federico Caimi, Juliette Langlais, Francesco Fontana, Sreekar Wunnava, Tommaso Bellini, Dieter Braun, Tommaso Pietro FRACCIA

High-yield prebiotic polymerization of 2’,3’-cyclic nucleotides under wet-dry cycling

10.26434/chemrxiv-2025-2p0ln

Posted

Feb 05, 2025

Marianna Barbalinardo, Francesca Chiarini, Gabriella Teti, Francesca Paganelli, Elisa Mercadelli, Andrea Bartoletti, Andrea Migliori, Manuela Piazzi, Jessika Bertacchini, Paola Sena, Alessandra Sanson, Mirella Falconi, Carla Palumbo, Massimiliano Cavallini, Denis Gentili

Surface charge overrides protein corona formation in determining the cytotoxicity, cellular uptake, and biodistribution of silver nanoparticles

10.26434/chemrxiv-2025-lj16r-v2

Posted

Feb 05, 2025

Masashi Serizawa, Pieter van Delft, Peter J. Schoenmakers, Ron A. H. Peters, Andrea F.G. Gargano

Size-exclusion chromatography–electrospray-ionization mass spectrometry to characterize end group and chemical distribution of poly(lactide-co-glycolide) co-polymers

10.26434/chemrxiv-2024-3c8dz-v2

Posted

Feb 05, 2025

Nadzeya Brezhneva, Jacob Schneidewind

Testing of particulate photocatalysts for water splitting

10.26434/chemrxiv-2025-p3gkp

Posted

Feb 05, 2025

Photoluminescent rare-earth qubits embedded in a metal−organic framework as candidates for optical quantum memories

Xiya Du, Lei Sun

10.26434/chemrxiv-2025-zwlnt

Posted

Feb 05, 2025

Avraz Anwar, Juan Del Valle

Optimized monomer-based synthesis of poly-N-amino peptides

10.26434/chemrxiv-2025-ctvjv

Posted

Feb 05, 2025

Onur K. Polat, Hurriyet Polat, Merve C. Eren, Mehmet Polat, Nuket Zeybek, Kyle M. Koss

Intactness of Synthetic vs. Natural Polymeric Micelles in Physiological Conditions: A Comparative Review

10.26434/chemrxiv-2025-pjbfg

Posted

Feb 05, 2025

Ayesha Begum, Manjur Oyasim Akram, Caleb Martin

Dearomative C2–Borylation of Indoles

10.26434/chemrxiv-2025-l0ptc

Posted

Feb 05, 2025

Inhee Park, Florian Hausen, Helmut Baltruschat

The Effect of Monolayers on Atomic-scale Friction in Aprotic Electrolytes: Underpotential Deposition (UPD) of Silver on I-modified Au(111)

10.26434/chemrxiv-2025-dz1fs

Posted

Feb 05, 2025

Guorong Weng, Anastassia N. Alexandrova

Evolution of Dirac Nodal Arc Surface States as the Electronic Engine of Alkaline HER on Oxide-Free PtSn4 Surface

10.26434/chemrxiv-2025-m3085

Posted

Feb 05, 2025

Jihye Roh, Joonyoung F. Joung, Kevin Yu, Zhengkai Tu, G. Logan Bartholomew, Omar A. Santiago-Reyes, Mun Hong Fong, Richmond Sarpong, Sarah E. Reisman, Connor W. Coley

Higher-level Strategies for Computer-Aided Retrosynthesis

10.26434/chemrxiv-2025-21zvt

Posted

Feb 05, 2025

Atharva S. Burte, Abeer O. Abouthman, Shreya Thakkar, Nicholas Capra, Joshua Gopeesingh, Omar A. Abdelrahman

Chromatographic Dynamic Chemisorption: An Alternative to Conventional Estimation of Metallic Dispersion

10.26434/chemrxiv-2025-4610b

Posted

Feb 05, 2025

Juncheng Li, Jinxi Du, Weiwei He, Ibrahim Adelakun, Miao Zhong, Savia Boyer, Ya Ying Zheng, Qishan Lin, Serdal Kirmizialtin, Jia Sheng, Ting Wang

Designing reversible photoswitching azobenzene modified nucleotide for controlling biological function

10.26434/chemrxiv-2025-vxgll

Posted

Feb 05, 2025

Keldy Mason, Ji-Won Kim, Elizabeth Recker, Jenna Nymick, Mingyu Shi, Franz Stolpen, Jaechul Ju, Zachariah Page

Multicolor Digital Light Processing 3D Printing Enables Dissolvable Supports for Freestanding and Non-Assembly Structures

10.26434/chemrxiv-2025-m4ml8

Posted

Feb 05, 2025

Amelie Teresa Heinen, Saskia Heermant, Daniel Christian Lauster, Stephan Block, Jacek Kozuch

Label-Free Detection of Virus-Membrane Interactions Using Surface-Enhanced Infrared Absorption (SEIRA) Spectroscopy

10.26434/chemrxiv-2025-xhrdt

Posted

Feb 05, 2025

Tomohiko Nishiuchi, Shino Takeuchi, Takashi Kubo

[5]Cumulene Bridged Tri(9-anthryl)methyl Dimer

10.26434/chemrxiv-2025-g8q8d

Posted

Feb 05, 2025

Zhen-Nan Shen, Wenda Bao, Zhengzheng Dang, He Li, Rongliang Shang, Mengyu Hu, Yanming Wang, Jin Xie, Bo Qiao

Predicting the Ionic Conductivity and Obtaining Mechanistic Insights of Plasticized Solid Polymer Electrolytes Using a Data-Driven Approach

10.26434/chemrxiv-2025-mtmkb

Posted

Feb 05, 2025

Yuxin Shi, Yuudai Iwai, Benjamin Le Ouay, Masaaki Ohba, Ryo Ohtani

Post-synthetic breaking of inversion symmetry in metal complex-based host–guest systems

10.26434/chemrxiv-2025-r7qsq

Posted

Feb 05, 2025

Quentin Pessemesse, Alexandre Perochon, Christophe Copéret, Marie-Eve L. Perrin, Pierre-Adrien Payard

Alloy Reorganization and Dynamics in Group-10-metal-Gallium Nanoparticles under Reactive Atmospheres: Impact on Local Environment and Reactivity.

10.26434/chemrxiv-2024-lthtv-v2

Posted

Feb 05, 2025

Niklas von Rhein, Jian Liang Low, Charlotte Gallenkamp, Beate Paulus, Vera Krewald

Pyrrolic FeN4 models for FeNC catalysts: the influence of planarity on electronic properties and Mössbauer parameters

10.26434/chemrxiv-2025-9hstm-v2

Posted

Feb 05, 2025

Darja Rohden, Giorgia Toscano, Paul Schanda, Roman Lichtenecker

Synthesis of Selectively 13C/2H/15N-Labelled Arginine to Probe Protein Conformation and Interaction by NMR Spectroscopy

10.26434/chemrxiv-2025-dxwrr

Posted

Feb 05, 2025

Carlotta Seno, Christopher B Whitehead, David E Salazar Marcano, Ian Chaon, Jonathan De Roo

Kinetic analysis of Group 4 Metal Oxide Nanocrystal synthesis in the presence of phosphine oxide ligands

10.26434/chemrxiv-2025-kst2w

Posted

Feb 05, 2025

Yasuhiro Kobori, Kousuke Higashi, Tsubasa Okamoto, Nanami Iwaya, Eri Sakuda, Christopher Kay, Tadaaki Ikoma

Vibronic Trimer Design Enhancing Intramolecular Triplet-Exciton Hopping to Accelerate Triplet-Triplet Annihilation for Photon Upconversion

10.26434/chemrxiv-2025-fkfwh

Posted

Feb 05, 2025

Qiang Zhu, Limu Hu, Chang Cui, Min Zang, Hao Dong, Jing Ma

Decoding Hairpin Structure Stability in Lin28-mediated Repression

10.26434/chemrxiv-2025-vrxkw

Posted

Feb 05, 2025

Sezin Galioglu, Mehdi Hagverdiyev, Meryem M. Doğan, Özgün Yavuz, Ghaith Makey, Ü. Seleme Nizam, Aladin Şura, Mesut Laçin, Burcu Akata Kurç, Parviz Elahi, F. Ömer Ilday, Serim Ilday

Ultrafast laser synthesis of zeolites

10.26434/chemrxiv-2025-7pbsd

Posted

Feb 05, 2025

Michelle P. Duarte, Clara V. Diniz, Hudson A. Bicalho, Rafik Naccache, Ashlee J. Howarth

A Zirconium-based Metal–Organic Framework as an Effective Green Catalyst for the Synthesis of Biodiesel

10.26434/chemrxiv-2025-f37vv

Posted

Feb 05, 2025

Thomas Pickl, Patrick Mollik, Markus R. Anneser, Florian Sixt, Korbinian Geißer, Oksana Storcheva, Dominik Halter, Alexander Pöthig

Endohedral Coordination of Bulky Substrates in Metalloenzyme-like Organometallic Nanotubes

10.26434/chemrxiv-2025-rsgrl

Posted

Feb 05, 2025

Xiaoyu Yue, Tao Song, Jiaqi Cao, Xiaolong Zhang, Shuo Feng, Weiwei Shang, Jun Jiang, Linjiang Chen

IR-Bot: an autonomous robotic system for real-time chemical mixture analysis via infrared spectroscopy and machine learning

10.26434/chemrxiv-2025-8xp04

Posted

Feb 05, 2025

Ana Díaz-Fernández, Camen S. Ciudad, Natalia Díaz, Dimas Suárez, Noemí de-los-Santos-Álvarez, M. Jesús Lobo-Castañón

Refinement and Truncation of DNA Aptamers based on Molecular Dynamics Simulations: Computational Protocol and Experimental Validation

10.26434/chemrxiv-2025-k5mzk

Posted

Feb 05, 2025

Nozomu Suzuki, Toyoko Suzuki, Hideto Minami

Theoretical Analysis of Racemization Kinetics of the Helical Foldamer: Extended Chain Inhibits Propagation of Helical Reversal from One End to Another

10.26434/chemrxiv-2025-bxmvx-v3

Posted

Feb 05, 2025

Sabina Maurer, Monica McCallum

Specificity and Stereoselectivity of Cryptic Sulfotransferases

10.26434/chemrxiv-2025-gkxn3

Posted

Feb 05, 2025

Ryan Anderson, Takuya Akiyama, Ian Tonks

Synthesis and Ring-Opening Polymerization of Lactones Derived from the Cotelomerization of Isoprene, Butadiene, and CO2

10.26434/chemrxiv-2025-zgm2v

Posted

Feb 05, 2025

Hassan Harb, Yunkai Sun, Rajeev Surendran Assary

The Hitchhiker's Guide to Socratic Methods in Prompting Large Language Models for Chemistry Applications

10.26434/chemrxiv-2025-djf43

Posted

Feb 06, 2025

Sávio Bertoli, Jesús Apolinar-Hernández, Carolina Krebs de Souza, Marcel Jeferson Gonçalves, Cíntia Soares, Natan Padoin

A Fast and Accurate Semi-Analytical Solution for Lumped Models of Co-Current Moving Bed Reactors

10.26434/chemrxiv-2024-t30tv-v3

Posted

Feb 06, 2025

Mason J Handford, Yuexin Li, Terry Riscoe, Katherine Liebman, Michael K Riscoe

Discovery of amodiachins, a novel class of 4-aminoquinoline antimalarials active against multi-drug resistant Plasmodium falciparum.

10.26434/chemrxiv-2023-lnkrm-v2

Posted

Feb 06, 2025

Theodore A. Chavkin, Leonardo D. Gonzalez, Brenda Cansino-Loeza, Rebecca Larson, Brian F. Pfleger, Victor M. Zavala

Co-Design of Cyanobacteria Mutant Strains and Processes for Phosphorus Recovery from Livestock Wastewater

10.26434/chemrxiv-2025-3n9sd-v2

Posted

Feb 06, 2025

John S. Albin, Gha Young Lee, Corey Johnson, Dimuthu Ashcharya Vithanage, Wayne Vuong, Bradley L. Pentelute

Rapid Generation of Hyperdiverse Chemical Libraries

10.26434/chemrxiv-2024-60bwl-v4

Posted

Feb 06, 2025

Geometry optimization of novel Ga-HBED complex isomers: insights into inorganic synthesis

JOSEMAR CUEVA BENAVIDES

10.26434/chemrxiv-2025-h36b6

Posted

Feb 06, 2025

Kohei Motoki, Hirotoshi Mori

Nuclear Coupled Electronic States Analyses Expose Nuclear Quantum Effects in Nucleobase Pairs

10.26434/chemrxiv-2025-81k3n

Posted

Feb 06, 2025

Moritz L. Weber, Moritz Kindelmann, Dylan Jennings, Jan Hoelschke, Regina Dittmann, Joachim Mayer, Wolfgang Rheinheimer, Xufei Fang, Felix Gunkel

Atomic-Scale Insights into Nanoparticle Exsolution from Dislocation- Engineered Host Oxides

10.26434/chemrxiv-2025-5s63g

Posted

Feb 06, 2025

Efficient Automated Workflow for Radical Reaction Networks in Environmental Disinfectants: A Peroxyacetic Acid Case Study with Machine Learning Interatomic Potentials

Fulin Shao, Weiying Li

10.26434/chemrxiv-2025-sz3pn

Posted

Feb 06, 2025

Saburo Hosokawa, Wataru Ota, Toyokazu Tanabe, Kosei Shingai, Chikara Watanabe, Hiroyuki Asakura, Shunya Onishi, Laetitia-Eiko Xerri, Hiroshi Yoshida, Masato Machida, Kentaro Teramura, Tohru Sato, Tsunehiro Tanaka

Epitaxial domain of PdO formed on Sr3Ti2O7 effective as an environmental catalyst

10.26434/chemrxiv-2025-ddp2p

Posted

Feb 06, 2025

Dariush Hinderberger, Jörg Reichenwallner, Sebastian Michler, Christian Schwieger

Human Serum Albumin Loaded with Fatty Acids Reveals Complex Protein-Ligand Thermodynamics and Boleadora-Type Solution Dynamics Leading to Gelation

10.26434/chemrxiv-2025-7fhz2

Posted

Feb 06, 2025

Albert Sicre Conesa, Maria Marsal, Adrián Gómez-Sánchez, Pablo Loza-Álvarez, Anna de Juan

Multiscale and multimodal image fusion. Coping with differences in scanned area and spatial resolution for Raman/fluorescence images of labelled cells.

10.26434/chemrxiv-2025-gr8r6

Posted

Feb 06, 2025

Fabian Guba, Jana Timm, Hong Thu Duong, Aneta Pashkova, Jonathan Zacharias Bloh, Roland Marschall, Dirk Ziegenbalg

Photoreactors Manufactured from 3D-Printed (Photo-) Catalytic Materials

10.26434/chemrxiv-2025-t1x54

Posted

Feb 06, 2025

Julian Radicke, Vanessa Jerschabek, Haleh Hashemi Haeri, Muhammad Abu-Bakar, Dariush Hinderberger, Jörg Kreßler, Karsten Busse

NMR- and EPR spectroscopic characterization of S4N4 and (SN)x dissolved in [EMIm][OAc]

10.26434/chemrxiv-2025-3bx69

Posted

Feb 06, 2025

Patrick Giesbrecht, Matt Margeson, Mita Dasog, Michael Freund

Light Enhanced Water Dissociation in Bipolar Membranes

10.26434/chemrxiv-2025-c3l3k

Posted

Feb 06, 2025

Haleh Hashemi Haeri, Andreas H. Kampe, Zhanna Evgrafova, Johnny Siegert, Wolfgang H Binder, Dariush Hinderberger

Chemical structure-dependence of the thermal transition in thermoresponsive ethylene-glycol-containing polymers as characterized by EPR spectroscopy

10.26434/chemrxiv-2025-8m980

Posted

Feb 06, 2025

Wiljar Lobjakas, Christian Møgelberg Clausen, Jaak Nerut, Jan Rossmeisl

Platinum-Modified Cantor Alloys as High-Entropy Electrocatalysts for Oxygen Reduction Reaction

10.26434/chemrxiv-2025-slt2b

Posted

Feb 06, 2025

Franz Braun, Thomas-Oliver Nagel, Samuel Prinz, Jens Friedland, Robert Güttel

In situ Methanation on Mars: A Process Concept Study on the Impact of H2/CO2 and Recycle Ratio

10.26434/chemrxiv-2025-67f82

Posted

Feb 06, 2025

Jennifer Yao, Dushyant Barpaga, Rajesh Singh, Yucheng Fu, Charles Freeman, Richard Zheng, Zhijie Xu

Characterizing the effective contact angle for solvent and packing surface interaction in a packed column for CO2 capture

10.26434/chemrxiv-2025-m79bx

Posted

Feb 06, 2025

Stereogenesis in Organic Addition Reactions: Cram’s Steric Control vs Charge-Transfer Control. A Natural Bond Orbital Analysis

Andrzej Cieplak

10.26434/chemrxiv-2025-r004t

Posted

Feb 06, 2025

John Pinti, Owen Szeglowski, Rachel Snider, Matthew Crawley, Timothy Cook

Synthesis of tetra-porphyrin tubes for catalysis and host-guest chemistry

10.26434/chemrxiv-2025-gxtfp

Posted

Feb 06, 2025

Da Teng, Vanessa J. Meraz, Akashnathan Aranganathan, Xinyu Gu, Pratyush Tiwary

AlphaFold2-RAVE: Protein Ensemble Generation with Physics-Based Sampling

10.26434/chemrxiv-2025-q3mwr

Posted

Feb 06, 2025

Marina Ramos-Martín, Joaquín García-Álvarez, Alejandro Presa Soto

Modular, Three-Component and Concurrent One-Pot Libraries of γ-Keto Sulfones and γ-Keto Phosphine Oxides. Brønsted Acidic Eutectic Mixtures Are the Answer

10.26434/chemrxiv-2025-fqj23

Posted

Feb 06, 2025

Xiaoqing Shao, Jordi Benet-Buchholz, Antonio Echavarren

Carbamate Directed peri-C–H Alkynylation: Application to the Synthesis of Zethrenes

10.26434/chemrxiv-2025-30hr4

Posted

Feb 06, 2025

Fatemeh Rajabasadi, Silvia Moreno, Mercedes Gonzalez Rico, Pedro Viñola, Kristin Fichna, Franziska Hebenstreit, Susanne Boye, Andreas Janke, Dietmar Appelhans, Mariana Medina Sanchez

Smart Surface Engineering in Microcarriers: Towards Applications in Cancer Therapy

10.26434/chemrxiv-2025-2x123

Posted

Feb 06, 2025

Disha Kashyap, Thomas Milne, Michael Booth

Going nuclear: Improved antisense oligonucleotide activity through conjugation with a nuclear importer

10.26434/chemrxiv-2024-p6q7p-v2

Posted

Feb 06, 2025

Aishat Idris, Clayton Smith, Chao-Ming (Elvis) Ting, Irina Paci

Coordination Number Dependence of Cysteine Binding to Nanostructured Gold

10.26434/chemrxiv-2025-j3nsp

Posted

Feb 06, 2025

Jeas Grejoy Andrews, Sunaina Sunaina, Tatek Temesgen Terfasa, Peter Kusalik, Kelly Rees, Yihao Wang, W. Russ Algar, Susana Y. Kimura

SONIC: A Speed of Sound Measurement for Nanobubble Characterization

10.26434/chemrxiv-2025-1h1kq

Posted

Feb 06, 2025

Verónica Ramírez-Cid, Ana L. Chávez-Hernández, Osvaldo Sánchez López, Raul Marques Novais, Temitayo Omowumi Alegbejo Price, Kamilla Moraes Alves, Wemenes J. Lima Silva, Flavio da Silva Emery, Carolina Horta Andrade, José L. Medina-Franco

Fragment libraries from large synthetic compounds and natural products: A comparative chemoinformatic analysis

10.26434/chemrxiv-2025-8x50r

Posted

Feb 06, 2025

Mohammed Alawami, Max Earle, Ulrich Keyser, Casey Platnich

Single-Molecule Quantification of RNA Degradation with Nanopore Sensing

10.26434/chemrxiv-2025-th9vf

Posted

Feb 07, 2025

Power Series Representation of Reaction Rates in Chemical Kinetics and Its Physical Interpretation

Jia Qiu

10.26434/chemrxiv-2025-hxbm5

Posted

Feb 07, 2025

Suguru Arii, Zonghan Yu, Hongyu Chen, Harunobu Mitsunuma, Motomu Kanai

Ion-Pair Hydrogen Atom Transfer Catalysis Enables Cr-Catalyzed Allylation of Ketones Using Hydrocarbon Alkenes

10.26434/chemrxiv-2025-h938v

Posted

Feb 07, 2025

Chen Chen, Lu-Yao Ding, Xiao-Xu Zhang, Guan-shen Chen, Yan-Ping Zhu, Chunjie Ni, Bolin Zhu

Nickel-Catalyzed Gas-Free Reductive Carbonylation of Aryl Thianthrenium Salts to Access Aryl Amides and Aryl Thioesters

10.26434/chemrxiv-2025-9bh5d

Posted

Feb 07, 2025

Kishan K. Yadav, Ritaj Tyagi, Vamsee K. Voora, Jyotishman Dasgupta

Directing an Elusive Photoredox [4+2] Cycloaddition Reaction in Water by Altering the Shape of Nano-confinement

10.26434/chemrxiv-2025-sffb5

Posted

Feb 07, 2025

Yuchang Liu, J. D. Rolfes, Jan Deska

Asymmetric Ring Contraction of 2-Hydroxypyranones by Borrowing Hydrogen Biocatalysis

10.26434/chemrxiv-2025-9hpvb

Posted

Feb 07, 2025

Ryoko Oyama, Kaede Kawaguchi, Liliia Moshniaha, Yemineni S. L. V. Narayana, Dominik Madea, Kirill Mitrofanov, Harley Suchiang, Amal Jose, Ryota Kabe

Revealing Charge Accumulation Mechanisms in Organic Materials via Slow Transient Emission Spectroscopy

10.26434/chemrxiv-2025-fd2hp

Posted

Feb 07, 2025

Yaroslav Holik, Dinakaran Murugesan, Stephen Patterson, Susan Wyllie, Ian, H. Gilbert, Fabio Zuccotto, Gary, J. Tarver

Design and Construction of a Fully Functionalised Probe Library for Mode of Action Studies

10.26434/chemrxiv-2025-4vn1q-v2

Posted

Feb 07, 2025

Rebecca Lindsey, Awwal Oladipupo, Sorin Bastea, Bradley Steele, I-Feng William Kuo, Nir Goldman

Hierarchical Transfer Learning: An Agile and Equitable Strategy for Machine-Learning Interatomic Models

10.26434/chemrxiv-2024-523v8-v2

Posted

Feb 07, 2025

Polymer Science

Feichen Cui, Zhi-Kun Xie, Jixin Wu, Yue Zhang, Zhengyang Zhang, Jun Fu, Rongliang Shang, Yifu Ruan, Gengxin Liu, Yanming Wang, Jin Xie, Jiajun Yan, Bo Qiao

The Optimal Arm Length for Star Polymer Electrolytes

10.26434/chemrxiv-2025-qx1h3

Posted

Feb 07, 2025

Markus Orsi, Jean-Louis Reymond

Assigning the Stereochemistry of Natural Products by Machine Learning

10.26434/chemrxiv-2024-zz9pw-v2

Posted

Feb 07, 2025

Abir Das, Subramani Kumaran, Pritam Maity, J. Richard Premkumar, basker sundararaju

Cobalt-Catalyzed Enantioselective and Diasterodivergent Con-struction of Distal Chiral C-N Diaxes

10.26434/chemrxiv-2025-gknb0

Posted

Feb 07, 2025

Claire Seydoux, Matthew Bryan, Jean-Paul Barnes, Pierre-Henri Jouneau

Efficient denoising of mass spectrometry images by PCA-assisted self-supervised deep learning

10.26434/chemrxiv-2025-wcm8l

Posted

Feb 07, 2025

Meron Debas, Dinh Phuong Trinh Nguyen, Andreas F. M. Kilbinger, Artur G. Glavic, Heinz Amenitsch, Stefan Salentinig

Nanoconfined Photopolymerization in Self-Assembled Glycerol Monooleate, Hydroxyethyl Acrylate and Water Suprastructures

10.26434/chemrxiv-2025-bh7sc

Posted

Feb 07, 2025

Adolfo B. Poma, Alejandra Hinostroza Caldas, Luis Cofas-Vargas, Michael Jones, Andrew L. Ferguson, Leonardo Medrano Sandonas

Recent Advances in Machine Learning and Coarse-Grained Potentials for Biomolecular Simulations and Their Applications

10.26434/chemrxiv-2025-vxjlk

Posted

Feb 07, 2025

Hendrik Weiske, Ralf Tonner-Zech

Chemical functionalization of a unique 2D material – Computational prediction for cyclooctyne on the biphenylene network

10.26434/chemrxiv-2025-cqhf1

Posted

Feb 07, 2025

Vanessa Jerschabek, Chife Fidelis, Melissa Kemesies, Jonas Volmer, Haleh Hashemi-Haeri, Dariush Hinderberger

Composite hydrogels of phenylalanine dipeptides with trivalent metal cations

10.26434/chemrxiv-2025-fwqng

Posted

Feb 07, 2025

Eelis Solala, Wen-Hua Xu, Pauli Parkkinen, Dage Sundholm

Numerical calculations of electric response properties using the bubbles and cube framework

10.26434/chemrxiv-2025-0dkqf

Posted

Feb 07, 2025

Revisiting Boron Cluster Dihydrogen Bonding: Improved Reference Energies and Benchmark of Localized Coupled Cluster and DFT Methods

Golokesh Santra

10.26434/chemrxiv-2025-sxgk7

Posted

Feb 07, 2025

Barbara Domżał, Magdalena Grochowska-Tatarczak, Przemysław Malinowski, Błażej Miasojedow, Krzysztof Kazimierczuk, Anna Gambin

NMR reaction monitoring robust to spectral distortions

10.26434/chemrxiv-2025-pjzl3

Posted

Feb 07, 2025

Philippe Schiel, Mounir Maaloum, Emilie Moulin, Irina Nyrkova, Alexander Semenov, Damien Dattler, Lou-Ann Accou, Anastasia Christoulaki, Eric Buhler, Rémi Plamont, Jean-Marie Lehn, Nicolas Giuseppone

Supramolecular polymerization through rotation of light-driven molecular motors