Archive | ChemRxiv | Cambridge Open Engage

10.26434/chemrxiv.14124137.v1

Posted

Mar 01, 2021

Veejendra Yadav, Arpita Yadav, Maddali L N Rao

TS-Torquoselectivity from Global Conformational Profile

10.26434/chemrxiv.13525448.v2

Posted

Mar 01, 2021

Kaushik Kumar Bharadwaj, Tanmay Sarkar, Arabinda Ghosh, Debabrat Baishya, Bijuli Rabha, Manasa Kumar Panda, Bryan R. Nelson, Akbar John, Hassan I. Sheikh, Bisnu Prasad Dash, Hisham A. Edinur, Siddhartha Pati

Nature Potential for COVID-19: Targeting SARS-CoV-2 Mpro Inhibitor with Bioactive Compound

10.26434/chemrxiv.14112515.v2

Posted

Mar 01, 2021

Sergio Kogikoski Junior, Anushree Dutta, Ilko Bald

Spatial Separation of Plasmonic Hot Electron Generation and a Hydrodehalogenation Reaction Center Using a DNA Wire

10.26434/chemrxiv.14114306.v2

Posted

Mar 01, 2021

Lucian Chan, Garrett Morris, Geoffrey Hutchison

Understanding Conformational Entropy in Small Molecules

10.26434/chemrxiv.12671027.v2

Posted

Mar 01, 2021

Anna Maria Ranieri, Matteo Vezzelli, Kathryn Leslie, Song Huang, Stefano Stagni, Denis Jacquemin, Haibo Jiang, Alysia Hubbard, Luca Rigamonti, Elizabeth Watkin, Mark Ogden, Elizabeth New, Massimiliano Massi

Structure illumination microscopy imaging of lipid vesicles in live bacteria with naphthalimide-appended organometallic complexes

10.26434/chemrxiv.8299274.v3

Posted

Mar 01, 2021

Masaya Kanoh, Yasunori Matsui, KIyomasa Honda, Yuto Kokita, Takuya Ogaki, Eisuke Ohta, Hiroshi Ikeda

Elongation of Triplet Lifetime Caused by Intramolecular Energy Hopping in Diphenylanthracene Dyads Oriented to Undergo Efficient Triplet–Triplet Annihilation Upconversion

10.26434/chemrxiv.13027631.v2

Posted

Mar 01, 2021

Kimberly A. Carter-Fenk, Kevin Carter-Fenk, Michelle E Fiamingo, Heather Allen, John M. Herbert

Infrared Hide-and-Seek: Vibrational Excitons Conceal Surfactants at the Air/Water Interface

10.26434/chemrxiv.12994091.v2

Posted

Mar 01, 2021

Von Novi de Leon, Joe Anthony Manzano, Delfin Yñigo H. Pilapil, Rey Arturo T. Fernandez, James Kyle Ching, Mark Tristan J. Quimque, Kin Israel Notarte, Allan Patrick Macabeo

Repurposing Multi-Targeting Plant Natural Product Scaffolds In Silico Against SARS-CoV-2 Non-Structural Proteins Implicated in Viral Pathogenesis

10.26434/chemrxiv.14125433.v1

Posted

Mar 01, 2021

Marwa Farag, Arkajit Mandal, Pengfei Huo

Polariton Induced Conical Intersection and Berry Phase

10.26434/chemrxiv.14128298.v1

Posted

Mar 01, 2021

Haigen Fu, Heather Lam, Megan Emmanuel, Ji Hye Kim, Braddock Sandoval, Todd K. Hyster

Ground-State Electron Transfer as an Initiation Mechanism for Asymmetric Hydroalkylations in Radical Biocatalysis

10.26434/chemrxiv.14128685.v1

Posted

Mar 01, 2021

alexander Reckziegel, Manjinder Kour, Beatrice Battistella, Stefan Mebs, Katrin Beuthert, Robert Berger, Gunnar Werncke

Imido Cobalt Complexes with Imidyl Character

10.26434/chemrxiv.14128709.v1

Posted

Mar 01, 2021

Yanyu Qi, Weimin Ning, Yang Zou, Xiaosong Cao, Shaolong Gong, Chuluo Yang

Peripheral Decoration of Multi-Resonance Molecules as a Versatile Approach for Simultaneous Long-Wavelength and Narrowband Emission

10.26434/chemrxiv.14129984.v1

Posted

Mar 01, 2021

Bingqian Shan, Jiafeng Zhou, Meng Ding, Xiao-Dan Hu, Kun Zhang

Surface Electronic State Mediates Proton Transfer at Metal Nanoscale Interface for Catalytic Hydride Reduction of −NO2 to −NH2

10.26434/chemrxiv.14129981.v1

Posted

Mar 01, 2021

Maria Brzozowska, Gabriela Handzlik, Katarzyna Kurpiewska, Mikołaj Zychowicz, Dawid Pinkowicz

Pseudo-Tetrahedral vs Pseudo-Octahedral ErIII Single Molecule Magnets and the 'Disruptive' Role of Coordinated TEMPO Radicals

10.26434/chemrxiv.14129996.v1

Posted

Mar 01, 2021

Alexander Winckelmann, Dalia Morcillo, Silke Richter, Sebastian Recknagel, Jens Riedel, Jochen Vogl, Ulrich Panne, Carlos Abad

Determination of Lithium in Human Serum by Isotope Dilution Atomic Absorption Spectrometry

10.26434/chemrxiv.14130080.v1

Posted

Mar 01, 2021

Alexander Sailer, Joyce Meiring, Constanze Heise, Linda Pettersson, Anna Akhmanova, Julia Thorn-Seshold, Oliver Thorn-Seshold

Pyrrole Hemithioindigo Antimitotics with Near-Quantitative Bidirectional Photoswitching Photocontrol Cellular Microtubule Dynamics with Single-Cell Precision

10.26434/chemrxiv.14130107.v1

Posted

Mar 01, 2021

Alexander Hansen Bork, Margarita Rekhtina, Elena Willinger, Pedro Castro-Fernández, Jakub Drnec, Paula M. Abdala, Christoph Müller

Peering into Buried Interfaces with X-Rays and Electrons to Unveil MgCO3 Formation During CO2 Capture in Molten Salt Promoted MgO

10.26434/chemrxiv.14130101.v1

Posted

Mar 01, 2021

Jian Chen, Lunbo Duan, Felix Donat, Christoph Müller

Assessment of the Effect of Process Conditions and Material Characteristics of Alkali Metal Salt-Promoted MgO-Based Sorbents on Their CO2 Capture Performance

10.26434/chemrxiv.14130317.v1

Posted

Mar 01, 2021

Danlin Liu, Joao Victor de Souza Cunha, Ayaz Ahmed, Agnieszka K. Bronowska

Structure, Dynamics, and Ligand Recognition of Human-Specific CHRFAM7A (Dupα7) Nicotinic Receptor Linked to Neuropsychiatric Disorders

10.26434/chemrxiv.14130518.v1

Posted

Mar 01, 2021

Kelly L. Materna, Leif Hammarström

Photoredox Catalysis Using Heterogenized Iridium Complexes

10.26434/chemrxiv.14132213.v1

Posted

Mar 02, 2021

Amin Alibakhshi, Bernd Hartke

Evaluation of the Temperature Dependence of Vaporization Enthalpy and its Correlation with Surface Tension by Machine Learning and Predictive Correlations

10.26434/chemrxiv.13734007.v3

Posted

Mar 02, 2021

Qiang Sun, Luis M. Mateos, Roberto Robles, Nicolas Lorente, Pascal Ruffieux, Giovanni Bottari, Tomás Torres, Roman Fasel

Bottom-up Fabrication and Atomic-scale Characterization of Triply-linked, Laterally π-Extended Porphyrin Nanotapes

10.26434/chemrxiv.14130596.v2

Posted

Mar 02, 2021

RALM RICARTE, Sachin Shanbhag

Unentangled Vitrimer Melts: Interplay between Chain Relaxation and Cross-link Exchange Controls Linear Rheology

10.26434/chemrxiv.13246823.v2

Posted

Mar 02, 2021

Kazuki Watanabe, Chiduru Watanabe, Teruki Honma, Yu-Shi Tian, Yusuke Kawashima, Norihito Kawashita, Tatsuya Takagi, Kaori Fukuzawa

Intermolecular Interaction Analyses on SARS-CoV-2 Receptor Binding Domain and Human Angiotensin-Converting Enzyme 2 Receptor-Blocking Antibody/peptide Using Fragment Molecular Orbital Calculation

10.26434/chemrxiv.14135138.v1

Posted

Mar 02, 2021

vivek singh, Lothar Houben, linda shimon, Sidney Cohen, Ofra Golani, Yishay Feldman, Michal Lahav, Milko van der Boom

The Egg-Shaped Crystals That Should Not Be: A Brain-like Texture Combined with Single Crystallinity

10.26434/chemrxiv.14135156.v1

Posted

Mar 02, 2021

Eric Skrotzki, Jaya Kishore Vandavasi, Stephen Newman

Ozone-Mediated Amine Oxidation and Beyond: A Solvent Free, Flow-Chemistry Approach

10.26434/chemrxiv.14135645.v1

Posted

Mar 02, 2021

Felix Kaspar, Darian S. Wolff, Peter Neubauer, Anke Kurreck, Vickery Arcus

pH-Independent Heat Capacity Changes during Phosphorolysis Catalyzed by the Pyrimidine Nucleoside Phosphorylase from Geobacillus thermoglucosidasius

10.26434/chemrxiv.14135840.v1

Posted

Mar 02, 2021

Bharti Koshti, Vivekshinh Kshtriya, Nidhi Gour

A New Azo Dye for the Selective Detection of Glycine

10.26434/chemrxiv.14135894.v1

Posted

Mar 02, 2021

Shilin Yu, Arkady Kurpryakov, James Lewis, Vicente Martí-Centelles, Stephen Goldup, Jean-Luc Pozzo, Gediminas Jonusauskas, Nathan McClenaghan

Damming a Molecular Energy Reservoir: Ion-regulated Electronic Energy Shuttling in a [2]Rotaxane

10.26434/chemrxiv.14132258.v1

Posted

Mar 02, 2021

Morgan Thomas, Rob Smith, Noel M. O’Boyle, Chris de Graaf, Andreas Bender

Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models: A GPCR Case Study

10.26434/chemrxiv.14138147.v1

Posted

Mar 02, 2021

Jussi Isokuortti, Kim Kuntze, Matti Virkki, Zafar Ahmed, Elina Vuorimaa-Laukkanen, Mikhail A. Filatov, Andrey Turshatov, Timo Laaksonen, Arri Priimägi, Nikita A. Durandin

Indirect Red and Near-Infrared Z-to-E Photoisomerization of ortho-Functionalized Azobenzenes via Triplet Energy Transfer

10.26434/chemrxiv.14134595.v1

Posted

Mar 02, 2021

Rashid Saif, Muhammad Hassan Raza, Talha Rehman, Muhammad Osama Zafar, Saeeda Zia, Abdul Rasheed Qureshi

Molecular docking and dynamic simulation of Olea europaea and Curcuma Longa compounds as potential drug agents for targeting Main-Protease of SARS-nCoV2

10.26434/chemrxiv.13246739.v2

Posted

Mar 03, 2021

Wan Zhou, Guanglei Fu [email protected], Xiujun Li

Detector-Free Photothermal Bar-Chart Microfluidic Chips (PT-Chips) for Visual Quantitative Detection of Biomarkers

10.26434/chemrxiv.14131514.v1

Posted

Mar 03, 2021

Huashan Zhao, Chunbin Li, Wen Zhu, Ming Yu, Binbin Huang, Xiaopeng Wang, Jingwei Li, Yali Yang, Li Xue, Jen-Shyang Ni, Xiaohua Lei, Pei-Gen Ren, Pengfei Zhang, Jianguo Wang, Jian V. Zhang

Bioinspired Long-Wavelength Excitable Near-Infrared AIEdots for Endometriosis Targeting and Image-Guided Surgery

10.26434/chemrxiv.14131775.v1

Posted

Mar 03, 2021

Svetlana Ivanova, Eva Köster, Julian J. Holstein, Niklas Keller, Guido H. Clever, Thomas Bein, Florian Beuerle

Isoreticular Crystallization of Highly Porous Cubic Covalent Organic Cage Compounds

10.26434/chemrxiv.14132108.v1

Posted

Mar 03, 2021

Anand H. Shinde, Annu Thomas, Joel T Mague, Shyam Sathyamoorthi

Highly Regio- and Diastereoselective Tethered Aza-Wacker Cyclizations of Alkenyl Phosphoramidates

10.26434/chemrxiv.14132177.v1

Posted

Mar 03, 2021

Yan Xiang, Yu-Hang Tang, Hongyi Liu, Guang Lin, Huai Sun

Predicting Single-Substance Phase Diagrams: A Kernel Approach on Graph Representations of Molecules

10.26434/chemrxiv.14138636.v1

Posted

Mar 03, 2021

Kaushik Nanda, Anna Krylov

The Orbital Picture of the First Dipole Hyperpolarizability from Many-Body Response Theory

10.26434/chemrxiv.14140625.v1

Posted

Mar 03, 2021

Michaela A. Würbser, Patrick Schwarz, Jonas Heckel, Alexander M. Bergmann, Andreas Walther, Job Boekhoven

Chemically Fueled Block Copolymer Self-Assembly into Transient Nanoreactors

10.26434/chemrxiv.14138198.v1

Posted

Mar 03, 2021

Albert Smith, Nicolas Bolik-Coulon, Matthias Ernst, Beat Meier, Fabien Ferrage

How Wide Is the Window Opened by High-Resolution Relaxometry on the Internal Dynamics of Proteins in Solution?

10.26434/chemrxiv.13341659.v2

Posted

Mar 03, 2021

Adlai Katzenberg, Andrea Angulo, Ahmet Kusoglu, Miguel Modestino

Impacts of Organic Sorbates on Ionic Conductivity and Nanostructure of Perfluorinated Sulfonic-Acid Ionomers

10.26434/chemrxiv.14138447.v1

Posted

Mar 03, 2021

Jan-Niclas Luy, Ralf Tonner

Organic Functionalization at the Si(001) Dimer Vacancy Defect – Structure, Bonding and Reactivity

10.26434/chemrxiv.13547774.v2

Posted

Mar 03, 2021

Kenji Hirai, Hiroto Ishikawa, Thibault Chervy, JAMES HUTCHISON, Hiroshi Uji-i

Selective Crystallization via Vibrational Strong Coupling

10.26434/chemrxiv.13191617.v2

Posted

Mar 03, 2021

Yixin He, Zhichun Shangguan, Zhao-Yang Zhang, Mingchen Xie, Chunyang Yu, Tao LI

Azobispyrazole Family as Photoswitches Combining (Near-)Quantitative Bidirectional Isomerization and Widely Tunable Thermal Half-Lives from Hours to Years

10.26434/chemrxiv.14130095.v2

Posted

Mar 03, 2021

Mohammed Zayan, Abdul Khaliq Rasheed, Akbar John, Mohammed Khalid, Ahmad Faris

Experimental Investigation on Rheological Properties of Water Based Novel Ternary Hybrid Nanofluids

10.26434/chemrxiv.13710241.v2

Posted

Mar 03, 2021

Karina van den Broek, Matthias Epple, Lisa Sophie Kersten, Hubert Kuhn, Achim Zielesny

Quantitative Estimation of Cyclotide-Induced Bilayer Membrane Disruption by Lipid Extraction with Mesoscopic Simulation

10.26434/chemrxiv.14135783.v1

Posted

Mar 03, 2021

Xing Huang, Travis Jones, Alexey Fedorov, Ramzi Farra, Christophe Copéret, Robert Schlögl, Marc Willinger

Phase Coexistence and Structural Dynamics of Redox Metal Catalysts Revealed by Operando TEM

10.26434/chemrxiv.14138438.v1

Posted

Mar 03, 2021

Maxim Radzhabov, Neal Mankad

Co-Catalyzed E-(β)-Selective Hydrogermylation of Terminal Alkynes

10.26434/chemrxiv.14138684.v1

Posted

Mar 03, 2021

Vivekshinh Kshtriya, Bharti Koshti, Ashadul Haque, Ankit Gangrade, Ramesh Singh, Khashti Ballabh Joshi, Sujoy Bandyopadhyay, Dhiraj Bhatia, Nidhi Gour

Self-Assembly and Photophysical Studies of an Unusual Red Colored Dye Which Show Green Fluorescence in Cell Imaging

10.26434/chemrxiv.14135624.v1

Posted

Mar 03, 2021

Exploitation of Baird Aromaticity and Clar's Rule for Tuning the Triplet Energies of Polycyclic Aromatic Hydrocarbons

Felix Plasser

10.26434/chemrxiv.14143730.v1

Posted

Mar 03, 2021

Shuting Cui, Xun Sun, SiWen Tao, Huawei Zhou, Jie Yin, Xianxi Zhang

Temperature Sensitive and Reversible Halide Ion Exchange in Inorganic-Organic Hybrid CH3NH3Pbl3-xBrx Mixed-halide Perovskite

10.26434/chemrxiv.14150225.v1

Posted

Mar 04, 2021

Roman Kleinmans, Omar Apolinar, Joseph Derosa, Malkanthi Karunananda, Zi-Qi Li, Van Tran, Steven Wisniewski, Keary Engle

Nickel-Catalyzed 1,2-Diarylation of Alkenyl Ketones: A Comparative Study of Carbonyl-Directed Reaction Systems

10.26434/chemrxiv.14150174.v1

Posted

Mar 04, 2021

Miguel ÁNgel Maria-Solano, Thomas Kinateder, Javier Iglesias-Fernández, Reinhard Sterner, Sílvia Osuna

Rational Prediction of Distal Activity-Enhancing Mutations in Tryptophan Synthase

10.26434/chemrxiv.14151989.v1

Posted

Mar 04, 2021

Sayuri L. Higashi, Masato Ikeda

Development of an Amino Sugar-Based Supramolecular Hydrogelator with Reduction Responsiveness

10.26434/chemrxiv.14152316.v1

Posted

Mar 04, 2021

Fengxian Ma, Yalong Jiao, Weikang Wu, Ying Liu, Shengyuan A. Yang, Thomas Heine

Half-Auxeticity and Anisotropic Transport in Pd Decorated Two-Dimensional Boron Sheets

10.26434/chemrxiv.13116866.v3

Posted

Mar 04, 2021

Dulce M. Morales, Marcel Risch

Seven Steps to Reliable Cyclic Voltammetry Measurements for the Determination of Double Layer Capacitance

10.26434/chemrxiv.13311752.v2

Posted

Mar 04, 2021

Junjie Zou, Zhipeng Li, Shuai Liu, Chunwang Peng, Dong Fang, Xiao Wan, Zhixiong Lin, Tai-Sung Lee, Daniel Raleigh, Mingjun Yang, Carlos Simmerling

Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free Energies

10.26434/chemrxiv.14140790.v1

Posted

Mar 04, 2021

Elizabeth Lee, Thomas Ludwig, Boyuan Yu, Aayush Singh, François Gygi, Jens Kehlet Nørskov, Juan de Pablo

Neural Network Sampling of the Free Energy Landscape for Nitrogen Dissociation on Ruthenium

10.26434/chemrxiv.13374059.v3

Posted

Mar 04, 2021

Fei Wang, Xiaoxian Sun, Yi Wang, Huawei Zhou, Jie Yin, Xianxi Zhang

Metallized Ni(OH)2·NiO/FeOOH on Ni foam as Highly Effective Water Oxidation Catalyst Prepared by Surface Treatment: Oxidation-Corrosion Equilibrium

10.26434/chemrxiv.14153195.v1

Posted

Mar 04, 2021

Ningning Zhang, Fabian Steininger, Lars-Erik Meyer, Klaus Koren, Selin Kara

Can Deep Eutectic Solvents Sustain Oxygen Dependent Bioprocesses? – Measurements of Oxygen Transfer Rates

10.26434/chemrxiv.14153285.v1

Posted

Mar 04, 2021

Michael Moret, Moritz Helmstädter, Francesca Grisoni, Gisbert Schneider, Daniel Merk

Beam Search Sampling for Molecular Design and Intrinsic Prioritization with Machine Intelligence

10.26434/chemrxiv.14153408.v1

Posted

Mar 04, 2021

Evgeniya Kovalska, Pradip Kumar Roy, Nikolas Antonatos, Vlastimil Mazanek, Martin Vesely, Bing Wu, Zdenek Sofer

Photocatalytic Activity of Twist-Angle Stacked 2D TaS2

10.26434/chemrxiv.14153675.v1

Posted

Mar 04, 2021

Marco F. Suárez-Herrera, Jose Solla-Gullon, Micheal D. Scanlon

Mimicking the Microbial Oxidation of Elemental Sulfur with a Biphasic Electrochemical Cell

10.26434/chemrxiv.14153798.v1

Posted

Mar 04, 2021

Ying Yang, Kun Yao, Matthew P. Repasky, Karl Leswing, Robert Abel, Brian Shoichet, Steven Jerome

Efficient Exploration of Chemical Space with Docking and Deep-Learning

10.26434/chemrxiv.14153819.v1

Posted

Mar 04, 2021

Emma Cook, Shelby L. Hooe, Amelia Reid, Charles Machan

Non-Covalent Assembly of Proton Donors and p-Benzoquinone Anions for Co-Electrocatalytic Reduction of Dioxygen

10.26434/chemrxiv.14156528.v1

Posted

Mar 04, 2021

Wenjuan Zhao, Chengyang Yu, Fengqian Chen, Xinyu Guan, Hui Li, Bin Tang, Valentin Valtchev, Yushan Yan, Shilun Qiu, Qianrong Fang

Three-Dimensional Hydrazone-Functionalized Covalent Organic Frameworks as pH-Triggered Rotary Switches

10.26434/chemrxiv.14157038.v1

Posted

Mar 05, 2021

Alina Trofimova, Aleksandra Holownia, chieh-hung tien, martynas sirvinskas, Andrei Yudin

Acylboronates in Polarity-Reversed Generation of Acyl Palladium(II) Intermediates

10.26434/chemrxiv.14157059.v1

Posted

Mar 05, 2021

Maximilian Scheurer, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted

Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: Use Octrees to Save the Trees

10.26434/chemrxiv.14159159.v1

Posted

Mar 05, 2021

Giuseppina La Sala, Anders Gunnarsson, karl edman, Christian Tyrchan, anders hogner, Andrey Frolov

Unraveling the Allosteric Cross-Talk Between Coactivator Peptide and Ligand Binding Site in Glucocorticoid Receptor

10.26434/chemrxiv.14159162.v1

Posted

Mar 05, 2021

Maximilian Lebede, Fiammetta di Marco, Wolfgang Esser-Skala, René Hennig, Therese Wohlschlager, Christian G. Huber

Exploring the Chemical Space of Protein Glycosylation in Noncovalent Protein Complexes: An Expedition Along Different Structural Levels of Human Chorionic Gonadotropin Employing Mass Spectrometry

10.26434/chemrxiv.14153249.v1

Posted

Mar 05, 2021

Margaux Beretta, Emilie Rouchaud, Lionel Nicolas, Jean-Pierre Vors, Thomas Dröge, Mazen Es-Sayed, Jean-Marie Beau, Stephanie Norsikian

N-Glycosylation with Sulfoxide Donors for the Synthesis of Peptidonucleosides

10.26434/chemrxiv.14159492.v1

Posted

Mar 05, 2021

Liquid Graphene Oxide Binder and Modified Glass Fiber Separator for Lithium Sulfur Battery with Highly Improved Cycling Performance

Maryam Sadat Kiai

10.26434/chemrxiv.14160404.v1

Posted

Mar 05, 2021

Tian Tian, Jingwei Hou, Humera Ansari, Ying Xiong, Anouk L'Hermitte, David Danaci, Ronny Pini, Camille Petit

Mechanically Stable Monolithic Porous Boron Nitride with High Volumetric Adsorption Capacity

10.26434/chemrxiv.14156732.v1

Posted

Mar 05, 2021

Wenjie Tao, Curtis Moore, Shiyu Zhang

Redox-neutral S-nitrosation Mediated by a Dicopper Center

10.26434/chemrxiv.14160968.v1

Posted

Mar 05, 2021

Biswash Thakuri, Bruce O'Rourke, Amanda Graves, Matthew Liptak

A Dynamic Substrate is Required for MhuD-catalyzed Degradation of Heme to Mycobilin

10.26434/chemrxiv.13171634.v4

Posted

Mar 05, 2021

Sangyeon Cho, Seok-Hyun Yun

Poly(catecholamine) coated CsPbBr3 perovskite microlasers: lasing in water and biofunctionalization

10.26434/chemrxiv.14049710.v3

Posted

Mar 05, 2021

Ignacio Bernabé Vírseda, Shiraz Ahmed Siddiqui, Alexander Prado-Roller, Michael Eisterer, Hidetsugu Shiozawa

Crystal Engineering with Copper and Melamine

10.26434/chemrxiv.14161403.v1

Posted

Mar 05, 2021

Rafael Alcides Vicente, Heloísa Vampré Nascimento Gomes, Pablo Fernández

Standard Underpotential Deposition Shift. A New Parameter to Characterize the UPD Phenomenon.

10.26434/chemrxiv.14165066.v1

Posted

Mar 05, 2021

Concise Chemoenzymatic Synthesis of Fasamycin A

Jian Li, Hans Renata

10.26434/chemrxiv.14166890.v1

Posted

Mar 05, 2021

Hanyuan Li, Mei-Ling Wang, Yue-Wen Liu, Ling-Jun Li, Hui Xu, Huixiong Dai

The Enones as New Alkenyl Reagents via Ligand Promoted C–C Bonds Activation

10.26434/chemrxiv.14167361.v1

Posted

Mar 05, 2021

Prediction of Dissociation Constant in Protein-Ligand Interaction

Masatoshi Kawashima

10.26434/chemrxiv.14167586.v1

Posted

Mar 05, 2021

Costantino Luca, Stefania Ferrari, Matteo Santucci, Outi M. Salo-Ahen, Carosati Emanuele, Silvia Franchini, Lauriola Angela, Cecilia Pozzi, Gaetano Marverti, Matteo Trande, Gozzi Gaia, Puneet Saxena, Giuseppe Cannazza, Lorena Losi, Daniela Cardinale, Alberto Venturelli, Antonio Quotadamo, Pasquale Linciano, Remo Guerrini, Salvatore Pacifico, Rosaria Luciani, Filippo Genovese, Henrich Stefan, Alboni Silvia, Nuno Santarem, Anabela Cordeiro-da-Silva, Elisa Giovannetti, Godefridus Peters, Paolo Pinton, Alessandro Rimessi, Gabriele Cruciani, Robert Stroud, Rebecca Wade, Stefano Mangani, Domenico D'Arca, Glauco Ponterini, Maria Paola Costi

Disrupters of the Thymidylate Synthase Homodimer Accelerate Its Proteasomal Degradation and Inhibit Cancer Growth.

10.26434/chemrxiv.14156918.v1

Posted

Mar 08, 2021

Iván Robayo-Molina, Andrés F. Molina-Osorio, Luke Guinane, Syed A.M. Tofail, Micheal D. Scanlon

Pathway Complexity in Supramolecular Porphyrin Self-Assembly at an Immiscible Liquid|Liquid Interface

10.26434/chemrxiv.14170202.v1

Posted

Mar 08, 2021

Megan Catterton, Alyssa N. Montalbine, Rebecca Pompano

Versatile and Selective Fluorination of the Surface of Polymeric Materials After Stereolithography 3D Printing

10.26434/chemrxiv.14167472.v1

Posted

Mar 08, 2021

Jennifer Handsel, Brian Matthews, Nicola Knight, Simon Coles

Translating the Molecules: Adapting Neural Machine Translation to Predict IUPAC Names from a Chemical Identifier

10.26434/chemrxiv.14170472.v1

Posted

Mar 08, 2021

Felix Loeffler, Isabelle F. T. Viana, Nico Fischer, Danilo F. Coêlho, Carolina Santos, Antonio Purificacao Jr, Catarina Araujo, Bruno Leite, Ricardo Durães-Carvalho, Thereza Magalhaes, Clarice Morais, Marli Tenório Cordeiro, Roberto Lins, Ernesto T.A. Marques, Thomas Jaenisch

Identification of a Zika NS2B Epitope for Which Absence of IgG Response Is Associated with Severe Neurological Symptoms and the Design of a Biomarker Capable of Discriminatory Diagnostics Between Severe and Non4 Severe Clinical Phenotypes

10.26434/chemrxiv.14170439.v1

Posted

Mar 08, 2021

Hayley Weir, Keiran Thompson, Ben Choi, Amelia Woodward, Augustin Braun, Todd J. Martínez

ChemPix: Automated Recognition of Hand-drawn Hydrocarbon Structures Using Deep Learning

10.26434/chemrxiv.14156957.v1

Posted

Mar 08, 2021

David Carrasco-Busturia, Steen Lysgaard, Piotr Jankowski, Tejs Vegge, Arghya Bhowmik, Juan Maria García Lastra

Ab Initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries

10.26434/chemrxiv.13720888.v2

Posted

Mar 08, 2021

Vasily Panferov, Nadezhda A. Byzova, Anatoly V. Zherdev, Boris B. Dzantiev

Peroxidase-Mimicking Nanozyme with Surface-Dispersed Pt Atoms as the Label for the Lateral Flow Immunoassay of C-Reactive Protein

10.26434/chemrxiv.14171249.v1

Posted

Mar 08, 2021

Philipp Petermeier, Cristina Fortuna, Kathrine M. Hübschmann, Gonzalo Nahuel Bidart Costoya, Thomas Tørring, David Tezé, Ditte Hededam Welner, Selin Kara

Exploring the in Vitro Operating Window of Glycosyltransferase PtUGT1 from Polygonum Tinctorium for a Biocatalytic Route to Indigo Dye

10.26434/chemrxiv.14171342.v1

Posted

Mar 08, 2021

Capucine Mahe, Agathe C. A. D’Hollander, Kevin Cariou

Base-Mediated Generation of Ketenimines from Ynamides: Addition of Hydrazones to Give Acetimidohydrazides

10.26434/chemrxiv.14173427.v1

Posted

Mar 08, 2021

Xu Lu, Ryohei Kawazu, Jizhou Song, Yusuke Yoshigoe, Takeru Torigoe, Yoichiro Kuninobu

Regioselective C–H Trifluoromethylation of Aromatic Compounds by Inclusion in Cyclodextrins

10.26434/chemrxiv.14173655.v1

Posted

Mar 08, 2021

Han Chen, Omar Abdelrahman

Solvating Alkylamine Hofmann Elimination in Zeolites Through Cooperative Adsorption

10.26434/chemrxiv.14174024.v1

Posted

Mar 08, 2021

Md Kibria, Mohd Adnan Khan, Tareq A. Al-Attas, Soumyabrata Roy, M.M. Rahman, NorEddine Ghaffour, Venkataraman Thangadurai, Steve Larter, Jinhuang Hu, Pulickel Ajayan

Seawater Electrolysis for Hydrogen Production: A Solution Looking for a Problem?

10.26434/chemrxiv.14138390.v1

Posted

Mar 09, 2021

Kelly Carpenter, Eric Stuve

Electrooxidation of Urea and Creatinine on Nickel Foam-based Electrocatalysts

10.26434/chemrxiv.13354262.v2

Posted

Mar 09, 2021

Emmanuel Ren, François-Xavier Coudert

Thermodynamic Exploration of Xenon/krypton Separation Based on a High-Throughput Screening

10.26434/chemrxiv.14174222.v1

Posted

Mar 09, 2021

Showkat Mir, Ganesh Chandra Dash, Kumar Sambhav Chopdar, Prajna Mohanta, Pranab Kishor Mohapatra, Iswar Baitharu, Ajay Kumar Behera, Mukesh Kumar Raval, Binata Nayak

Molecular Modeling of Novel Fluorophoric Thiazolo- [2, 3-B] Quinazolinones to Study Epidermal Growth Factor Receptor Tyrosine Kinase Inhibition Potency

10.26434/chemrxiv.14174282.v1

Posted

Mar 09, 2021

Jasper Woodard, W. Peter Kalisvaart, Sayed Youssef Sayed, Brian Olsen, Jillian Buriak

Beyond Thin Films: Clarifying the Impact of c-Li15Si4 Formation in Thin Film, Nanoparticle, and Porous Si Electrodes

10.26434/chemrxiv.14175389.v1

Posted

Mar 09, 2021

Lars Gell, Aku Lempelto, toni Kiljunen, Karoliina Honkala

Influence of a Cu-Zirconia Interface Structure on CO2 Adsorption and Activation

10.26434/chemrxiv.14176523.v1

Posted

Mar 09, 2021

Yuki Omori, Ayaka Shigemoto, Kohei Sugihara, Takuma Higo, Toru Uenishi, Yasushi Sekine

Electrical Promotion-Assisted Automotive Exhaust Catalyst: Highly Active and Selective NO Reduction to N2 at Low-Temperatures

10.26434/chemrxiv.14176577.v1

Posted

Mar 09, 2021

Kyle Clark, Jacob Davis, Doo-Hyun Kwon, Erin E. Martinez, Michael R. Talley, David Michaelis, Daniel Ess, Matthew Asplund

Time-Resolved UV-IR Experiments that Suggest Photoactivated Fe-Cu Dinuclear Catalyst

10.26434/chemrxiv.14176646.v1

Posted

Mar 09, 2021

Kirill Shumilov, Zerina Mehmedovic,, Hang Ying, Patricia Poths, Selbi Nuryyeva, Ieva Liepuoniute, Chelsea Jang, Isabelle Winardi, Anastassia N. Alexandrova

Understanding Hardness of Doped WB4.2

10.26434/chemrxiv.14176739.v1

Posted

Mar 09, 2021

Rouzbeh Samii, David Zanders, Anton Fransson, Goran Bačić, Sean Barry, Lars Ojamäe, Vadim Kessler, Henrik Pedersen, Nathan O'Brien

Synthesis, Characterization and Thermal Study of Divalent Germanium, Tin and Lead Triazenides for Atomic Layer Deposition

10.26434/chemrxiv.14176718.v1

Posted

Mar 09, 2021

Anuj K Yadav, Michael C. Lee, Melissa Lucero, Christopher J. Reinhardt, ShengZhang Su, Jefferson Chan

NIR Bioluminescence Probe Enables Discovery of Diet-Induced Modulation of the Tumor Microenvironment via Nitric Oxide

10.26434/chemrxiv.14176835.v1

Posted

Mar 09, 2021

Jiaxuan Wang, Baoyan Liang, Jinbei Wei, Yincai Xu, Zhiqiang Li, Tong Yang, Chenglong Li, Yue Wang

Purely Organic Phosphor Sensitization Based Highly Efficient Electrofluorescence Material

10.26434/chemrxiv.14178485.v1

Posted

Mar 09, 2021

Leigh R. Crilley, Andrea Angelucci, Brian Malile, Cora J. Young, Trevor C. VandenBoer, Jennifer Chen

Non-Woven Materials for Cloth-Based Face Mask Inserts: Relationship Between Material Properties and Sub-Micron Aerosol Filtration

10.26434/chemrxiv.13696705.v2

Posted

Mar 09, 2021

Hung Le, Mariano Guagliardo, Anne Gorden, Aurora Clark

Ensemble Effects of Explicit Solvation on Allylic Oxidation

10.26434/chemrxiv.13611140.v2

Posted

Mar 09, 2021

Michael R. Reynolds, Sabrina Piazza, Jonathan Chiaramonte, Fabiola A. Chapa-Villarreal, John F. Trant

Efficient and Reproducible Synthesis of an Fmoc-protected Tn Antigen

10.26434/chemrxiv.14182232.v1

Posted

Mar 09, 2021

Toyin Omojola, Andre van Veen

Mechanistic Insights into the Conversion of Dimethyl Ether over ZSM-5 Catalysts: A Combined Temperature Programmed Surface Reaction and Microkinetic Modelling Study

10.26434/chemrxiv.14182454.v1

Posted

Mar 09, 2021

Qingfei Song, Qiuyu Zhang, Qingyong Meng

Role of Electronic Excited State in Kinetics of the CH2OO + SO2 ! HCHO + SO3 Reaction

10.26434/chemrxiv.14183039.v1

Posted

Mar 09, 2021

Tatu Rimpilainen, Alexandra Nunes, Rita Calado, Ana Fernandes, Joana Andrade, Epole Ngolle, Gabriella Spengler, Nikoletta Szemeredi, João Rodrigues, João Paulo Gomes, Patricia Rijo, Nuno Candeias

Increased Antibacterial Properties of Indoline-Derived Phenolic Mannich Bases

10.26434/chemrxiv.14184929.v1

Posted

Mar 10, 2021

Chen Hu, Malik Salman Haider, Lukas Hahn, Mengshi Yang, Robert Luxenhofer

Development of a 3D Printable and Highly Stretchable Ternary Organic-Inorganic Nanocomposite Hydrogel

10.26434/chemrxiv.14185442.v1

Posted

Mar 10, 2021

Haoxuan Li, wei zhu, Meng Li, Ying Li, Jacky W. Y. Lam, Lei Wang, Dong Wang, Ben Zhong Tang

Side Area-Assisted 3D Evaporator with Antibiofouling Function for Ultra-Efficient Solar Steam Generation

10.26434/chemrxiv.14185643.v1

Posted

Mar 10, 2021

Matthew Wearon, Brendan Howlin, Chris Lowe, Marie Laure Abel, John Watts

A Molecular Dynamics Study on the Miscibility and Morphology of Polyester Blends used in Coil Coatings

10.26434/chemrxiv.14160977.v2

Posted

Mar 10, 2021

Olga Chovnik, Sidney Cohen, Iddo Pinkas, Lothar Houben, Tatiana E. Gorelik, Yishay Feldman, linda shimon, Mark Iron, Michal Lahav, Milko van der Boom

Non-Covalent Bonding Caught in Action: From Amorphous-to-Cocrystalline Molecular Thin Films

10.26434/chemrxiv.14185742.v1

Posted

Mar 10, 2021

Malte Fischer, Fabian Reiß, Christian Hering-Junghans

Titanocene Pnictinidene Complexes

10.26434/chemrxiv.14186174.v1

Posted

Mar 10, 2021

Quentin Ronzon, Wei Zhang, Nicolas Casaretto, Elizabeth Mouray, Isabelle Florent, Bastien Nay

Programmed multiple C–H bond functionalisation of the privileged 4-hydroxyquinoline template

10.26434/chemrxiv.14138204.v2

Posted

Mar 10, 2021

Tarun Roy, Subhas Ghosal, Venkatesan S. Thimmakondu

Six Low-Lying Isomers of C11H8 Are Unidentified in the Laboratory - a Theoretical Study

10.26434/chemrxiv.14188316.v1

Posted

Mar 10, 2021

Khondaker Miraz Rahman, Shirin Jamshidi, J Mark Sutton, Sara Jambarsang

Towards an Understanding of Ligand Induced Functional Conformational Changes of MexB Efflux Transporter

10.26434/chemrxiv.14175383.v1

Posted

Mar 10, 2021

Amrit Venkatesh, Frédéric Perras, Aaron Rossini

Proton-Detected Solid-State NMR Spectroscopy of Spin-1/2 Nuclei with Large Chemical Shift Anisotropy

10.26434/chemrxiv.14188895.v1

Posted

Mar 10, 2021

Utilization of By-Product of Alumina Extraction from Fly Ash as Silicate Fertilizer

Yang Luo, Yinghong Wu

10.26434/chemrxiv.14178308.v1

Posted

Mar 10, 2021

Tao Yang, Yi Wei, Ming Joo Koh

Photoinduced Nickel-Catalyzed Deaminative Cross-Electrophile Coupling

10.26434/chemrxiv.14178755.v1

Posted

Mar 10, 2021

Lukas Hahn, Matthias Beudert, Marcus Gutmann, Larissa Keßler, Philipp Stahlhut, Lena Fischer, Thomas Lorson, Ingo Thievessen, Tessa Lühmann, Robert Luxenhofer

Biomechanical and Biological Performances of Diels-Alder Crosslinked Thermogelling Bioink

10.26434/chemrxiv.14184713.v1

Posted

Mar 10, 2021

Seiichiro Izawa, Masahiro Hiramoto

Efficient Solid-State Photon Upconversion Enabled by Spin Inversion at Organic Semiconductor Interface

10.26434/chemrxiv.14184830.v1

Posted

Mar 10, 2021

Nilanjon Naskar, Manfred Wagner, Hans Joachim Räder, Haoyuan Qi, Ute Kaiser, Tanja Weil, Sabyasachi Chakrabortty

Molecular Insights of Carbon Nanodot Formation and Their Two-Photon Emission Properties

10.26434/chemrxiv.14184890.v1

Posted

Mar 10, 2021

Ke Ma, Wei Xie, Wei Liu, Lei Wang, Dong Wang, Ben Zhong Tang

Graphene-Oxide Based Fluorescent DNA Aptasensor for Liver Cancer Diagnosis and Therapy

10.26434/chemrxiv.14189012.v1

Posted

Mar 10, 2021

Li Liao, Zerong Zhang, Xinyu Guan, Hui Li, Yaozu Liu, Minghao Zhang, Liangkui Zhu, Bin Tang, Valentin Valtchev, Yushan Yan, Shilun Qiu, Xiangdong Yao, Qianrong Fang

Three-Dimensional sp2 Carbon-Linked Covalent Organic Frameworks for Bioresponsive Fluorescence Imaging

10.26434/chemrxiv.14189060.v1

Posted

Mar 10, 2021

Anthony J. Kearsley, Arun Moorthy

Identifying Fentanyl with Mass Spectral Libraries

10.26434/chemrxiv.14176952.v1

Posted

Mar 11, 2021

Tomaz Einfalt, Pascal Detampel, Daniel Häussinger, Jens Casper, Christoph R. Meier, Maxim Puchkov, Jörg Huwyler

Hydroxychloroquine Immediate Release Tablets: Formulation and Evaluation of a Solid Dosage Form

10.26434/chemrxiv.14170508.v1

Posted

Mar 11, 2021

Composition and Dimension Dependent Static and Dynamic Stabilities of Inorganic Mixed Halide Antimony Perovskites

Jack Yang

10.26434/chemrxiv.14191301.v1

Posted

Mar 11, 2021

jayanta dana, Tal Binyamin, Lioz Etgar, Sanford Ruhman

Unusually Strong Bi-Exciton Repulsion Detected in Quantum Confined CsPbBr3 Nanocrystals with Two and Three Pulse Femtosecond Spectroscopy

10.26434/chemrxiv.14191454.v1

Posted

Mar 11, 2021

Maciej Korzynski, Zachariah Berkson, Boris Le Guennic, Olivier Cador, Christophe Copéret

Leveraging Surface Siloxide Electronics to Enhance Relaxation Properties of a Single-Molecule Magnet

10.26434/chemrxiv.12818183.v3

Posted

Mar 11, 2021

Jonas Rein, James R. Annand, Michael K. Wismer, Jiantao Fu, Juno C. Siu, Artis Klapars, Neil A. Strotman, Dipannita Kalyani, Dan Lehnherr, Song Lin

Unlocking the Potential of High-Throughput Experimentation for Electrochemistry with a Standardized Microscale Reactor

10.26434/chemrxiv.14173538.v2

Posted

Mar 11, 2021

Ting Chen, Cheng-Yin Fei, Yi-Ping Chen, Karen Sargsyan, Chun Ping Chang, Hanna S. Yuan, Carmay Lim

Synergistic Inhibition of SARS-CoV-2 Replication using Disulfiram/Ebselen and Remdesivir

10.26434/chemrxiv.13604015.v2

Posted

Mar 11, 2021

Abigail Enders, Nicole North, Chase Fensore, Juan Velez-Alvarez, Heather Allen

Functional Group Identification for FTIR Spectra Using Image-Based Machine Learning Models

10.26434/chemrxiv.14188679.v1

Posted

Mar 11, 2021

David Drewry, Joel K. Annor-Gyamfi, Carrow Wells, Julie E. Pickett, Alison Axtman

Strategy for Lead Identification for Understudied Kinases

10.26434/chemrxiv.14195207.v1

Posted

Mar 11, 2021

Jelle De Vos, Patricia Pereira Aguilar, Christoph Köppl, Andreas Fischer, Clemens Grünwald-Gruber, Mark Dürkop, Miriam Klausberger, Juergen Mairhofer, Gerald Striedner, Monika Cserjan-Puschmann, Alois Jungbauer, Nico Lingg

Native Hydrophobic Interaction Chromatography Hyphenated to Multi-Angle Light Scattering Detection for In-Process Control of SARS-CoV-2 Nucleocapsid Protein Produced in Escherichia Coli

10.26434/chemrxiv.14195318.v1

Posted

Mar 11, 2021

Katharine Greco, Jude Bonesteel, Nicolas Chanut, Charles Wan, Yet- Ming Chiang, Fikile Brushett

Limited Accessibility to Surface Area Generated by Thermal Pretreatment of Electrodes Reduces Its Impact on Redox Flow Battery Performance

10.26434/chemrxiv.14195648.v1

Posted

Mar 11, 2021

Tom Kunde, Tobias Pausch, Bernd M. Schmidt

Supramolecular Alloys from Fluorinated Hybrid [4+6] Imine Cages

10.26434/chemrxiv.14192234.v1

Posted

Mar 11, 2021

Nicolaj Kofod, Patrick Nawrocki, Carlos Platas-Iglesias, Thomas Just Sørensen

Electronic Structure of Ytterbium(III) Solvates – A Combined Spectro-scopic and Theoretical Study

10.26434/chemrxiv.14103740.v2

Posted

Mar 11, 2021

Gergo Peter Szekeres, Szilvia Krekic, Rebecca L. Miller, Mark Mero, Kevin Pagel, Zsuzsanna Heiner

The Interaction of Chondroitin Sulfate with a Lipid Monolayer Observed by Using Nonlinear Vibrational Spectroscopy

10.26434/chemrxiv.14192879.v1

Posted

Mar 11, 2021

Stefano Mazzanti, Giovanni Manfredi, Alex J. Barker, Markus Antonietti, Aleksandr Savateev, Paolo Giusto

Photocatalysis Goes Thinner Than a Hair: Carbon Nitride Thin Films as All-in-one Technology for Photocatalysis

10.26434/chemrxiv.14198357.v1

Posted

Mar 11, 2021

Astrid Boje, William E. Taifan, Henrik Ström, Tomas Bucko, Jonas Baltrusaitis, Anders Hellman

First-principles-informed energy span and microkinetic analysis of ethanol catalytic conversion to 1,3-butadiene on MgO

Version undefined posted 12 March 2021

Posted

Mar 12, 2021

10.26434/chemrxiv.13118420.v2

Andrey A. Buglak, Asterios Charisiadis, Aimee Sheehan, Christopher J. Kingsbury, Mathias O.. Senge, Mikhail A. Filatov

Quantitative Structure–property Relationship Modelling for the Prediction of Singlet Oxygen Generation by Heavy-Atom-Free BODIPY Photosensitizers

Version undefined posted 12 March 2021

Posted

Mar 12, 2021

10.26434/chemrxiv.14199335.v1

Julia Villalva, Sara Moreno, Palmira Villa, Luisa R. González, Cristina Navío, Saül García-Orrit, Víctor Vega-Mayoral, Juan Cabanillas-Gonzalez, Andres Castellanos-Gomez, Emerson Giovanelli, Emilio Pérez

Covalent Chemistry on a Van Der Waals Heterostructure

Version undefined posted 12 March 2021

Posted

Mar 12, 2021

10.26434/chemrxiv.9878870.v3

Gianluca Ciancaleoni, Luca Rocchigiani

Assessing the Orbital Contribution in the “Spodium Bond” by Natural Orbital for Chemical Valence-Charge Displacement Analysis

10.26434/chemrxiv.12936230.v5

Posted

Mar 15, 2021

Ilya Vinogradov, Suryansh Singh, Hanna Lyle, Aritra Mandal, Jan Rossmeisl, Tanja Cuk

Measuring Theoretical Descriptors of Water Oxidation: Free Energy Differences Between Intermediates Using Time-Resolved Optical Spectroscopy

10.26434/chemrxiv.13003490.v2

Posted

Mar 15, 2021

Shan Wang, Tian-Yi Zhang, Jian-Xin Zhang, Huan Meng, Bi-Hong Chen, Wei Shu

Enantioselective Access to Dialkyl Amines and Alcohols via Ni-Catalyzed Reductive Hydroalkylations

10.26434/chemrxiv.13284416.v2

Posted

Mar 15, 2021

Eleftherios Lambros, Jie Hu, Francesco Paesani, Paesani Lab

Assessing the Accuracy of the SCAN Functional for Water Through a Many-Body Analysis of the Adiabatic Connection Formula

10.26434/chemrxiv.13728109.v2

Posted

Mar 15, 2021

Yan Yang, Yanmin Zhang, Xingye Chen, Yi Hua, Guomeng Xing, Chenglong Deng, Li Liang, Tao Lu, Yadong Chen, Haichun Liu

Reducing hERG Toxicity Using hERG Classification Model and Fragment-growing Network

10.26434/chemrxiv.13153112.v2

Posted

Mar 15, 2021

Zeyu Liu, Tian Lu, Aihua Yuan, Qinxue Chen, Xiufen Yan

Remarkable Size Effect on Photophysical and Nonlinear Optical Properties of All-Carboatomic Rings, Cyclo[18]carbon and Its Analogues

10.26434/chemrxiv.13557941.v2

Posted

Mar 15, 2021

Xi Chen, Zhuang Ma, Wubin Yan, Guodong Yao, qiuju li, Binbin Jin, Yaling Guo, yudi wang

Facile and Selective Conversion of Levulinic Acid into γ-Valerolactone by Low-cost Fe and Ni Catalysts in Water

10.26434/chemrxiv.14215310.v1

Posted

Mar 16, 2021

Cobalt Hydride Oxidase Catalysis Enabled Hydroamination of Unactivated Olefins

Wei-Ting Ye, Rong Zhu

10.26434/chemrxiv.14207474.v1

Posted

Mar 16, 2021

Bao-Nguyen Nguyen, John D. Thoburn, Angela Grommet, Duncan Howe, Tanya K. Ronson, Hugh Ryan, Jeanne L. Bolliger, Jonathan Nitschke

Coordination Cages Transport Molecular Cargoes Across Liquid Membranes

10.26434/chemrxiv.14208248.v1

Posted

Mar 16, 2021

Tianwen Hu, Yuanchao Xie, Yin Liu, Haitao Xue, Fuqiang Zhu, Haji A. Aisa, Jingshan Shen

A Convenient and Cost Efficient Route Suitable for “One-Pot” Synthesis of Molnupiravir

10.26434/chemrxiv.14208206.v1

Posted

Mar 16, 2021

Jerzy J. Langer, Katarzyna C. Ratajczak, Ewelina Frąckowiak, Sebastian Golczak

Competitive Light Emission from Excited Electron and Proton Systems in Polyaniline Doped with P-Toluenesulfonic Acid When Electrically Powered

10.26434/chemrxiv.14208296.v1

Posted

Mar 16, 2021

Molly Kozminsky, Thomas Carey, Lydia L. Sohn

DNA-Directed Patterning for Versatile Validation and Characterization of a Lipid-Based Nanoparticle Model of SARS-CoV-2

10.26434/chemrxiv.14208455.v1

Posted

Mar 16, 2021

Madison Feng, Sara Mata Lopez, Soraya Manaviazar, Hamish A. Watson, Karl Hale, Peter P Nghiem

Osteopontin (OPN) Downregulatory Alkaloid (-)-Agelastatin A Prevents Muscle Damage in a Mouse Model of Duchenne Muscular Dystrophy

10.26434/chemrxiv.14210882.v1

Posted

Mar 16, 2021

Lisa M. Barton, Longrui Chen, Donna Blackmond, Phil Baran

Electrochemical Borylation of Carboxylic Acids

10.26434/chemrxiv.14210963.v1

Posted

Mar 16, 2021

Duc Tuan Cao, Thi Mai Huong DOAN, Van Cuong PHAM, Thi Hong Lien HOANG, Jung-Woo Chae, Hwi-yeol YUN, Min-Kyun NA, Young-Ho KIM, Minh Quan PHAM, Van Hung NGUYEN

Molecular Design of Anticancer Drug from Marine Fungi Derivatives

10.26434/chemrxiv.14211146.v1

Posted

Mar 16, 2021

Peter T. Smith, Bahiru Punja Benke, Lun An, Younghoon Kim, Kimoon Kim, Christopher Chang

A Supramolecular Porous Organic Cage Platform Promotes Electrochemical Hydrogen Evolution from Water Catalyzed by Cobalt Porphyrins

10.26434/chemrxiv.14213528.v1

Posted

Mar 16, 2021

Qianru Wang, Jianping Guo, Ping Chen

Ruthenium Complex Hydride Catalysts as a Platform for Ammonia Synthesis

10.26434/chemrxiv.14213711.v1

Posted

Mar 16, 2021

Dae Young Bae, Gunhee Lee, Eunsung Lee

Fixation of Dinitrogen at an Asymmetric Binuclear Titanium N2 Complex

10.26434/chemrxiv.14213876.v1

Posted

Mar 16, 2021

Ilker Tezsevin, M.C.M. van de Sanden, Süleyman Er

High-Throughput Computational Screening of Cubic Perovskites for Solid Oxide Fuel Cell Cathodes

10.26434/chemrxiv.14213900.v1

Posted

Mar 16, 2021

Meng Ge, Taimin Yang, Yanzhi Wang, Francesco Carraro, Weibin Liang, Christian Doonan, paolo falcaro, Haoquan Zheng, Xiaodong Zou, Zhehao Huang

On the Completeness of Three-Dimensional Electron Diffraction Data for Structural Analysis of Metal-Organic Frameworks

10.26434/chemrxiv.14213966.v1

Posted

Mar 16, 2021

Rosa V. Espinoza, Kersti Caddell Haatveit, S. Wald Grossman, Jin Yi Tan, Caylie A. McGlade, Yogan Khatri, Sean A. Newmister, Jennifer J. Schmidt, Marc Garcia-Borràs, John Montgomery, Kendall N Houk, David H. Sherman

Engineering P450 TamI as an Iterative Biocatalyst for Selective Late-Stage C-H Functionalization and Epoxidation of Tirandamycin Antibiotics

10.26434/chemrxiv.14213984.v1

Posted

Mar 16, 2021

Proton Transfer and Kinetic Isotope Effect in Morita-Baylis-Hillman Reaction Under Solvent Effects. a Detailed Computational Study

Veejendra Yadav

10.26434/chemrxiv.14214014.v1

Posted

Mar 16, 2021

Qiaobo Liao, Can Ke, Dongni Wang, Yiying Zhang, Qingwen Han, Yifan Zhang, Kai Xi

Metal-Free Fenton-like Photocatalysts Based on Covalent Organic Frameworks

10.26434/chemrxiv.14214479.v1

Posted

Mar 16, 2021

Bin Zheng, Chao Hang, Jason Zhu, Geoffrey Purdum, Melda Sezen-Edmonds, Daniel Treitler, Miao Yu, Changxia Yuan, Ye Zhu, Adam Freitag, Siwei Guo, Guanghui Zhu, Benjamin Hritzko, James Paulson, Jonanthan Shackman, Brian He, Weiqing Fu, HuaChia Tai, Sloan Ayers, Hyunsoo Park, Martin Eastgate, Benjamin Cohen, Amanda Rogers, Qinggang Wang, Michael A. Schmidt

P(III) vs. P(V): A P(V) Reagent for Thiophosphoramidate Linkages and Application to An Asymmetric Synthesis of a Cyclic Dinucleotide STING Agonist

10.26434/chemrxiv.14207360.v1

Posted

Mar 16, 2021

Kevin Wöhner, Toshiki Wulf, Nina Vankova, Thomas Heine

Strong Binding of Noble Gases to [B12X11]˗: A Theoretical Study

10.26434/chemrxiv.14152655.v1

Posted

Mar 16, 2021

Laura Colombaioni, Beatrice Campanella, Riccardo Nieri, Massimo Onor, Edoardo Benedetti, Emilia Bramanti

Time-Dependent Influence of High Glucose Environment on the Metabolism of Neuronal Immortalized Cells

10.26434/chemrxiv.14215871.v1

Posted

Mar 16, 2021

A Web Tool for Calculating Substituent Descriptors Compatible with Hammett Sigma Constants

Peter Ertl

10.26434/chemrxiv.14215964.v1

Posted

Mar 16, 2021

Pratap Kumar Parida, Dipak Paul, Debamitra Chakravorty

High Throughput in Silico Identification of Novel Phytochemical Inhibitors for the Master Regulator of Inflammation (TNFα)

10.26434/chemrxiv.14178212.v2

Posted

Mar 16, 2021

Wei Shu, Peng-Fei Yang, Jian-Xin Liang, Han-Tong Zhao, Jian-Xin Zhang, Xian-Wang Zeng

Enantioselective Construction of Trialkyl Tertiary Centers via Ni-Catalyzed Markovnikov Hydrocarbofunctionalizations of Unactivated Olefins and Electrophiles

10.26434/chemrxiv.14213588.v1

Posted

Mar 16, 2021

Swathi Naidu Vakamulla Raghu, Manuela S Killian, Khajidkhand Chuluunbandi

Zirconia Nanotube Coatings - UV-Resistant Superhydrophobic Surfaces

10.26434/chemrxiv.14199236.v1

Posted

Mar 16, 2021

Tian-Ren Li, Fabian Huck, GiovanniMaria Piccini, Konrad Tiefenbacher

Hydrogen Bond Synchronized Dual Activation Enables the Unified β-Selective O-Glycosylation Inside a Molecular Capsule

10.26434/chemrxiv.14199443.v1

Posted

Mar 16, 2021

Wagner Richter, Leonardo J. Duarte, Roy E. Bruns

Are GAPT Charges Really Charges?

10.26434/chemrxiv.14199560.v1

Posted

Mar 16, 2021

Aleksa Stanišić, Annika Hüsken, Philipp Stephan, David L. Niquille, Jochen Reinstein, Hajo Kries

An Engineered Nonribosomal Peptide Synthetase Shows Opposite Amino Acid Loading and Condensation Specificity

10.26434/chemrxiv.14199695.v1

Posted

Mar 16, 2021

Victor Stivenson Sandoval-Bohorquez, Edgar M. Morales-Valencia, Carlos Omar Castillo-Araiza, Luz Marina Ballesteros Rueda, Víctor Gabriel Baldovino Medrano

Kinetic Assessment of the Dry Reforming of Methane over a Solid Solution Ni–La Oxide Catalyst

10.26434/chemrxiv.14199770.v1

Posted

Mar 16, 2021

Arun Moorthy, Edward Sisco

A New Library-Search Algorithm for Mixture Analysis Using DART-MS

10.26434/chemrxiv.14199884.v1

Posted

Mar 16, 2021

Stefan Weber, Luis F. Veiros, Karl Kirchner

Selective Manganese-Catalyzed Dimerization and Cross-Coupling of Terminal Alkynes

10.26434/chemrxiv.14204210.v1

Posted

Mar 16, 2021

Julieth García-Sánchez, Iván Darío Mora-Vergara Vergara, Daniel R. Molina V., José Antonio Henao-Martínez, Víctor Gabriel Baldovino Medrano

Key Factors During the Milling Stage of the Seed Assisted and Solvent-Free Synthesis of MFI and Catalytic Behavior in the Alkylation of Phenol with Tert-Butyl Alcohol

10.26434/chemrxiv.14204231.v1

Posted

Mar 16, 2021

Xiaoheng Wang, Baixue Li, Jianwen Peng, Bingnan Wang, Anjun Qin, Ben Zhong Tang

Multicomponent Cyclopolymerization of Alkynes, Isocyanides and Isocyanates Toward Heterocyclic Polymers

10.26434/chemrxiv.14204453.v1

Posted

Mar 16, 2021

Taeho Kang, Nana Kim, Peter Cheng, Hao Zhang, Klement Foo, Keary Engle

Nickel-Catalyzed 1,2-Carboamination of Alkenyl Alcohols

10.26434/chemrxiv.14195426.v1

Posted

Mar 16, 2021

Nicholas S. Akins, Nisha Mishra, Hannah M. Harris, Narendar Dudhipala, Seong Jong Kim, Adam W. Keasling, Soumyajit Majumdar, Jordan K. Zjawiony, Nicole Ashpole, Hoang V. Le

6,5-Fused Ring, C2-Salvinorin Ester, Dual Kappa and Mu Opioid Receptor Agonists as Analgesics Devoid of Anxiogenic Effects

10.26434/chemrxiv.14204834.v1

Posted

Mar 16, 2021

Hans Renata, Emily Shimizu, Christian Zwick

Regiodivergent Biocatalytic Hydroxylation of L-Glutamine Facilitated by Characterization of Non-Heme Dioxygenases from Non-Ribosomal Peptide Biosyntheses

10.26434/chemrxiv.14206172.v1

Posted

Mar 16, 2021

Nisha Mehta, Thomas Fellowes, JONATHAN WHITE, Lars Goerigk

The CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods Describe Chalcogen-Bonding Interactions?

10.26434/chemrxiv.13521377.v2

Posted

Mar 16, 2021

David Zanders, Ji Liu, Jorit Obenlüneschloß, Claudia Bock, Detlef Rogalla, Lukas Mai, Michael Nolan, Sean Barry, Anjana Devi

Cobalt Metal ALD: Understanding the Mechanism and Role of Zink Alkyl Precursors as Reductants for Low Resistivity Co Thin Films

10.26434/chemrxiv.14206619.v1

Posted

Mar 16, 2021

Ashley M. Hancock, Minjung Son, Muath Nairat, Tiejun Wei, Lars J. C. Jeuken, Christopher D. P. Duffy, Gabriela S. Schlau-Cohen, Peter G. Adams

Ultrafast Energy Transfer Between Lipid-Linked Chromophores and Plant Light-Harvesting Complex II

10.26434/chemrxiv.14207348.v1

Posted

Mar 16, 2021

Guillaume Le Breton, Oriane Bonhomme, Pierre-François Brevet, Emmanuel Benichou, Claire Loison

Hyperpolarizability of Water at the Air-Vapor Interface: Numerical Modeling Questions Standard Experimental Approximations

10.26434/chemrxiv.14216837.v1

Posted

Mar 16, 2021

Kuhali Das, Koushik Sarkar, Biplab Maji

Manganese Catalyzed Anti-Markovnikov Hydroamination of Allyl Alcohols via Hydrogen Borrowing Catalysis

10.26434/chemrxiv.14216921.v1

Posted

Mar 16, 2021

Michael Strauss, Manping Jia, Austin Evans, Ioannina Castano, Rebecca Li, Xavier Aguilar-Enriquez, Emily Roesner, Jeremy Swartz, Anton Chavez, Alan E. Enciso, J. Fraser Stoddart, Marco Rolandi, William Dichtel

Diverse Proton-Conducting Nanotubes via a Tandem Macrocyclization and Assembly Strategy

10.26434/chemrxiv.14217089.v1

Posted

Mar 16, 2021

Jordan N. Bentley, Selvyn A. Simoes, Ekadashi Pradhan, Tao Zeng, Chris Caputo

The Synthesis Properties and Reactivity of Lewis Acidic Aminoboranes

10.26434/chemrxiv.14217263.v1

Posted

Mar 16, 2021

Georgios Toupalas, Bill Morandi

Non-Innocent Electrophiles Unlock Exogenous Base-Free Coupling Reactions

10.26434/chemrxiv.14217314.v1

Posted

Mar 16, 2021

Junnan Li, Nikolay Kornienko

Probing Electrosynthetic Reactions with Furfural on Copper Surfaces

10.26434/chemrxiv.14219228.v1

Posted

Mar 16, 2021

Abhoy Karmakar, Srija Mukhopadhyay, Pierre Gachod, Arturo Gomez, Guy Bernard, Alex Brown, Vladimir Michaelis

Uncovering Halide Mixing and Octahedral Dynamics in Vacancy-Ordered Double Perovskites by Multinuclear Magnetic Resonance Spectroscopy

10.26434/chemrxiv.14219450.v1

Posted

Mar 16, 2021

Jarod Fincher, Katerina Djambazova, Dustin R. Klein, Martin Dufresne, Lukasz Migas, Raf Van de Plas, Richard Caprioli, Jeffrey Spraggins

Molecular Mapping of Neutral Lipids using Silicon Nanopost Arrays and TIMS Imaging Mass Spectrometry

10.26434/chemrxiv.14216963.v1

Posted

Mar 16, 2021

Abraham Colin-Molina, Jessica Arcudia, Eliseo R. López-López, Marcus J. Jellen, Ma. Carmen García-González, Gabriel Merino, Braulio Rodríguez-Molina

Multicomponent Crystals with Two Fast Reorienting Constituents: Mutually Affected Rotation of DABCO and THF

10.26434/chemrxiv.14219726.v1

Posted

Mar 16, 2021

Jacob Garcia, Lauren Heald, ryan shaffer, Scott Sayres

Oscillation in Excited State Lifetimes with Size of Sub-Nanometer Neutral (TiO2)n Clusters Observed with Ultrafast Pump-Probe Spectroscopy

10.26434/chemrxiv.14219816.v1

Posted

Mar 16, 2021

Ingrid Fatima Zattoni, Luciano F. Huergo, Edileusa C. M. Gerhardt, Jeanine M. Nardin, Alexia Marques Fernandes dos Santos, Fabiane Gomes de Moraes Rego, Geraldo Picheth, Vivian Rotuno Moure, Glaucio Valdameri

Multiplexed Flow Cytometric Approach for Detection of Anti-SARS-CoV-2 IgG, IgM and IgA Using Beads Covalently Coupled to the Nucleocapsid Protein

10.26434/chemrxiv.14219999.v1

Posted

Mar 17, 2021

Theodore A. Cohen, Yunping Huang, Nico A. Bricker, Connor S. Juhl, Tyler J. Milstein, J. Devin MacKenzie, Christine K. Luscombe, Daniel R. Gamelin

Modular Zwitterion-Functionalized Poly(Isopropyl Methacrylate) Polymers for Hosting Luminescent Lead-Halide Perovskite Nanocrystals

10.26434/chemrxiv.14219879.v1

Posted

Mar 17, 2021

Xiao Ren, Tianze Wu, Yuanmiao Sun, Yan Li, Guoyu Xian, Xianhu Liu, Chengmin Sheng, Jose Gracia, Hong-jun Gao, Haitao Yang, Zhichuan J. Xu

Spin-Polarized Oxygen Evolution Reaction Under Magnetic Field

10.26434/chemrxiv.14221685.v1

Posted

Mar 17, 2021

Christopher Jones, Laurence J. Kershaw Cook, David Marquez-Gamez, Konstantin V. Luzyanin, Jonathan Steed, Anna Slater

High Yielding Flow Synthesis of a Macrocyclic Molecular Hinge

10.26434/chemrxiv.14222303.v1

Posted

Mar 17, 2021

Maxime Bouquin, Florian Jaroschik, Marc Taillefer

Versatile and Ligand-Free Copper-Catalyzed α-Arylations of Aromatic Ketones Using Diaryliodonium Salts

10.26434/chemrxiv.14222372.v1

Posted

Mar 17, 2021

Jordan Cox, Mike Kellogg, Matthew Bain, Stephen E. Bradforth, Steven Lopez

Role of the Perfluoro Effect in the Selective Photochemical Isomerization of Hexafluorobenzene

10.26434/chemrxiv.13727932.v3

Posted

Mar 17, 2021

Madushani Dharmarwardana, Srimanta Pakhira, Raymond P. Welch, Carlos Caicedo Narvaez, Michael A. Luzuriaga, Bhargav S. Arimilli, Gregory T. McCandless, Babak Fahimi, Jose Mendoza-Cortes, Jeremiah J. Gassensmith

Rapidly Reversible Organic Crystalline Switch for Conversion of Heat into Mechanical Energy

10.26434/chemrxiv.12657230.v5

Posted

Mar 17, 2021

Sven Kochmann, Nikita A. Ivanov, Kevin S. Lucas, Sergey Krylov

Topino: A Graphical Tool for Quantitative Assessment of Molecular Stream Separations

10.26434/chemrxiv.13515086.v2

Posted

Mar 17, 2021

Yunhua Chen, Rick Dorn, Michael Hanrahan, Lin Wei, Rafael Blome-Fernandez, Alan Medina-Gonzalez, Marquix Adamson, Anne Flintgruber, Javier Vela, Aaron Rossini

Revealing the Surface Structure of CdSe Nanocrystals by Dynamic Nuclear Polarization-Enhanced 77Se and 113Cd Solid-State NMR Spectroscopy

10.26434/chemrxiv.14224148.v1

Posted

Mar 17, 2021

Evgeny Tretyakov, Pavel Petunin, Svetlana Zhivetyeva, Dmitry Gorbunov, Nina Gritsan, Matvey V. Fedin, Dmitri V. Stass, Rimma I. Samoilova, Irina Bagryanskaya, Artem Bogomyakov, Maxim Kazantsev, Pavel Postnikov, Marina Trusova, Victor Ovcharenko

Platform for High-Spin Molecules: A Verdazyl-Nitronyl Nitroxide Triradical with Quartet Ground State

10.26434/chemrxiv.14224139.v1

Posted

Mar 17, 2021

Chemical Education

Covalent d-Block Organometallics: Teaching Lewis Structures and sd/sd2 Hybridization Gives Students Additional Explanations and Powerful Predictive Tools

Ulrich Fekl

10.26434/chemrxiv.14226065.v1

Posted

Mar 17, 2021

Gayashani Ginige, Youngdong Song, Brian Olsen, Erik Luber, Cafer Yavuz, Jillian Buriak

Solvent Vapor Annealing, Defect Analysis, and Optimization of Self-assembly of Block Copolymers Using Machine Learning Approaches

10.26434/chemrxiv.14226554.v1

Posted

Mar 17, 2021

Isaac Ramphal, Mark Shapero, Daniel Neumark

Photodissociation Dynamics of the Cyclohexyl Radical from the 3p Rydberg State at 248 nm

10.26434/chemrxiv.14226836.v1

Posted

Mar 17, 2021

Satoshi Ishii, Shogo Yoshimoto, Katsutoshi Hori

Single-Cell Adhesion Force Mapping of a Highly Sticky Bacterium in Liquid

10.26434/chemrxiv.14221709.v1

Posted

Mar 18, 2021

Tianze Wu, Xiao Ren, Yuanmiao Sun, Shengnan Sun, Guoyu Xian, Günther G. Scherer, Adrian C. Fisher, Daniel Mandler, Joel Ager, Alexis Grimaud, Junling Wang, Chengmin Sheng, Haitao Yang, Jose Gracia, Hong-jun Gao, Zhichuan J. Xu

Controlled Surface Reconstruction on Ferromagnetic Oxides: Spin Pinning Effect to the Oxyhydroxide Layer and Its Enhanced Oxygen Evolution Activity

10.26434/chemrxiv.14227388.v1

Posted

Mar 18, 2021

Shiraz Ahmed Siddiqui, Alexander Prado-Roller, Hidetsugu Shiozawa

Room Temperature Synthesis of Cu-BTC Coordination Polymer and Metal-Organic Framework by pH Control

10.26434/chemrxiv.14229254.v1

Posted

Mar 18, 2021

Bharti Koshti, Ramesh Singh, Vivekshinh Kshtriya, Shanka Walia, Dhiraj Bhatia, Khashti Ballabh Joshi, Nidhi Gour

Unusual Aggregation Properties of Single Amino Acid L-Lysine Hydrochloride

10.26434/chemrxiv.14152976.v1

Posted

Mar 18, 2021

Agriculture and Food Chemistry

Jörg Rau, Ekkehard Hiller, Annegret Männig, Martin Dyk, Olivera Wenninger, Philipp Stoll, Gudrun Wibbelt, Pat Schreiter

Animal Species Identification of Meat Using MALDI-TOF Mass Spectrometry

10.26434/chemrxiv.14229413.v1

Posted

Mar 18, 2021

Klas Bratteby, Vladimir Shalgunov, Umberto Maria Battisti, Ida Nymann Petersen, Sara Lopes van den Broek, Tomas G Ohlsson, Nic Gillings, Maria Erlandsson, Matthias Herth

Insights into Elution of Anion Exchange Cartridges: Opening the Path towards Aliphatic 18F-Radiolabeling of Base-Sensitive Tracers

10.26434/chemrxiv.14229491.v1

Posted

Mar 18, 2021

Alonso Gamero-Quijano, Shayon Bhattacharya, Pierre-André Cazade, Andrés F. Molina-Osorio, Cillian Beecher, Ahmed Djeghader, Tewfik Soulimane, Manuel Dossot, Damien Thompson, Grégoire Herzog, Micheal D. Scanlon

Modulating the Pro-apoptotic Activity of Cytochrome c at a Biomimetic Electrified Interface

10.26434/chemrxiv.14229605.v1

Posted

Mar 18, 2021

Giovanni Cincilla, Simone Masoni, Jascha Blobel

Individual & Collective Human Intelligence in Drug Design: Evaluating the Search Strategy

10.26434/chemrxiv.13354328.v2

Posted

Mar 18, 2021

Johanna-Barbara Linse, Jochen S. Hub

Three- and Four-Site Models for Heavy Water: SPC/E-HW, TIP3P-HW, and TIP4P/2005-HW

10.26434/chemrxiv.14229755.v1

Posted

Mar 18, 2021

Sebastian Ponath, Chetan Joshi, Amy T. Merrill, Volker Schmidts, Kim Greis, Maike Lettow, Manuela Weber, Simon Steinhauer, Kevin Pagel, Christina Thiele, Dean Tantillo, Mathew Vetticatt, Mathias Christmann

On Stereocontrol in Organocatalytic α-Chlorinations of Aldehydes

10.26434/chemrxiv.14229875.v1

Posted

Mar 18, 2021

Srikanth Nayak, Raju R. Kumal, Zhu Liu, Baofu Qiao, Aurora Clark, Ahmet Uysal

Origins of Clustering of Metalate-Extractant Complexes in Liquid-Liquid Extraction

10.26434/chemrxiv.13500960.v2

Posted

Mar 18, 2021

Jason Sanchez, Govinda KC, Julian Franco, Jesus Garcia, suman sirimulla

BiasNet: A model to predict ligand bias towards GPCR signaling

10.26434/chemrxiv.13202846.v2

Posted

Mar 18, 2021

Martina Cirulli, Enrico Salvadori, Zhi-Hui Zhang, Michael Dommett, Floriana Tuna, Heiko Bamberger, James Lewis, Amanpreet Kaur, Graham Tizzard, Joris van Slageren, Rachel Crespo Otero, Stephen Goldup, Maxie Roessler

Rotaxane CoII Complexes as Field-Induced Single-Ion Magnets

10.26434/chemrxiv.14230058.v1

Posted

Mar 18, 2021

Alexander A. Malär, Laura A. Völker, Riccardo Cadalbert, Lauriane Lecoq, Matthias Ernst, Anja Böckmann, Beat H. Meier, Thomas Wiegand

Temperature-Dependent Solid-State NMR Proton Chemical-Shift Values and Hydrogen Bonding

10.26434/chemrxiv.14230043.v1

Posted

Mar 18, 2021

Niels R.M. Reintjens, Liubov Yakovlieva, Nittert Marinus, Johan Hekelaar, Francesca Nuti, Anna Maria Papini, Martin D. Witte, Adriaan J. Minnaard, Marthe Walvoort

Site-Selective Palladium-Catalyzed Oxidation of Glucose in Glycopeptides

10.26434/chemrxiv.14230244.v1

Posted

Mar 18, 2021

ganesh sivaraman, Jicheng Guo, Logan Ward, Nathaniel Hoyt, Mark Williamson, Ian Foster, Chris Benmore, Nicholas Jackson

Automated Development of Molten Salt Machine Learning Potentials: Application to LiCl

10.26434/chemrxiv.14226833.v1

Posted

Mar 18, 2021

Shaun Kelsey, Amit Kumar, Allen G. Oliver, Victor W. Day, James Blakemore

Promotion and Tuning of the Electrochemical Reduction of Hetero- and Homobimetallic Zinc Complexes

10.26434/chemrxiv.14230406.v1

Posted

Mar 18, 2021

Kwabena Ofori-Atta, Clayton Springer

The Price is Right: Predicting Reagent Prices

10.26434/chemrxiv.14233103.v1

Posted

Mar 18, 2021

Alice Capecchi, Xingguang Cai, Hippolyte Personne, Thilo Köhler, Christian van Delden, Jean-Louis Reymond

Machine Learning Designs Non-Hemolytic Antimicrobial Peptides

10.26434/chemrxiv.14233418.v1

Posted

Mar 18, 2021

Govinda KC, Giovanni Bocci, Srijan Verma, Mahmudulla Hassan, Jayme Holmes, Jeremy Yang, suman sirimulla, Tudor I. Oprea

A machine learning platform to estimate anti-SARS-CoV-2 activities

10.26434/chemrxiv.12915779.v3

Posted

Mar 19, 2021

Yuliana Zabolotna, Peter Ertl, Dragos Horvath, Fanny Bonachera, Gilles Marcou, Alexandre Varnek

NP Navigator: a New Look at the Natural Product Chemical Space

10.26434/chemrxiv.14236457.v1

Posted

Mar 19, 2021

Diego Garay-Ruiz, Carles Bo, Diego Garay Ruiz

Human-Readable SMILES: Translating Cheminformatics to Chemistry

10.26434/chemrxiv.14230034.v1

Posted

Mar 19, 2021

Kushagra Agrawal, Alberto Roldan, Nanda Kishore, Andrew J Logsdail

Decomposition of Formic Acid over Orthorhombic Molybdenum Carbide

10.26434/chemrxiv.14236466.v1

Posted

Mar 19, 2021

Ezgi Gulcay, Paul Iacomi, Youngsang Ko, Jong-San Chang, Guillaume Rioland, Sabine Devautour-Vinot, Guillaume Maurin

Breaking the Upper Bound of Siloxane Uptake: Metal-Organic Frameworks as an Adsorbent Platform

10.26434/chemrxiv.14222261.v1

Posted

Mar 19, 2021

Statistical Treatment of Activity and Durability of Electrocatalysts with Distributed Binding Energies

Jun Huang

10.26434/chemrxiv.14075900.v2

Posted

Mar 19, 2021

Guy Jacoby, Merav Segal Asher, Tamara Ehm, Inbal Abutbul-Ionita, Hila Shinar, Salome Azoulay-Ginsburg, Dganit Danino, Michael M. Kozlov, Roey J. Amir, Roy Beck

Order from Disorder with Intrinsically Disordered Peptide Amphiphiles

10.26434/chemrxiv.14236886.v1

Posted

Mar 19, 2021

P. Rafael Donnarumma, Sahara Frojmovic, Hudson de Aguiar Bicalho, Hatem M. Titi, Ashlee J Howarth

Synthetic Approaches for Accessing Rare-Earth Analogues of UiO-66

10.26434/chemrxiv.14227109.v1

Posted

Mar 19, 2021

Jeremy Demarteau, alexander epstein, Peter Christensen, Mark Abubekerov, hai wang, Simon J Teat, Trevor Seguin, Christopher Chan, Corinne D. Scown, Thomas Russell, Jay Keasling, Kristin Persson, Brett Helms

Circularity in Mixed Plastics Chemical Recycling Enabled by Variable Rates of Polydiketoenamine Hydrolysis

10.26434/chemrxiv.14228576.v1

Posted

Mar 19, 2021

Ettore Fois, Mario Oriani, gloria tabacchi

A Post-HF Approach to the Sunscreen Octyl Methoxycinnamate

10.26434/chemrxiv.13671226.v2

Posted

Mar 19, 2021

M. Soledade C. Pedras, Mahla Alavi, Abbas Abdoli

Phytoalexins and Signalling Metabolites Produced in the Wild Crucifer Neslia Paniculata: Camalexins and Arabidopsides

10.26434/chemrxiv.14166866.v2

Posted

Mar 19, 2021

Cara-Lena Nies, Michael Nolan

Prediction of Co and Ru Nanocluster Morphology on 2D MoS2 from Interaction Energies

10.26434/chemrxiv.14237336.v1

Posted

Mar 19, 2021

Kate Jesse, Mu-Chieh Chang, Alexander S. Filatov, John Anderson

Iron(II) Complexes Featuring a Redox-Active Dihydrazonopyrrole Ligand

10.26434/chemrxiv.14237690.v1

Posted

Mar 19, 2021

Susanne Fischer, Simon Renner, Adrian Daniel Böse, Christian Slugovc

Electron Rich Triarylphosphines as Nucleophilic Catalysts for Oxa-Michael Reactions

10.26434/chemrxiv.14241953.v1

Posted

Mar 19, 2021

Evgeniy Redekop, Niclas Johansson, Esko Kokkonen, Samuli Urpelainen, Felipe Lopes da Silva, Mikko Kaipio, Heta-Elisa Nieminen, Foqia Rehman, Ville Miikkulainen, Mikko Ritala, Unni Olsbye

Synchronizing Gas Injections and Time-Resolved Data Acquisition for Perturbation-Enhanced APXPS Experiments

10.26434/chemrxiv.13241444.v2

Posted

Mar 19, 2021

Yusuke Sato, Masahiro Takinoue

Pattern Regulation of DNA Hydrogels Formed by Lateral Phase Separation of DNA Nanostructures on Water-in-Oil Droplet Interfaces

10.26434/chemrxiv.14245532.v1

Posted

Mar 19, 2021

Tiffany Poynder, Analia Orue, Tania _, Lachlan Sharp-Bucknall, Matthew Flynn, David J. D. Wilson, Kasun Athukoroala, Jack K. Clegg, Jason Dutton

On the Activation of PhICl2 with Pyridine

10.26434/chemrxiv.14245712.v1

Posted

Mar 19, 2021

Mickaël Avanthay, Robin Bedford, Callum Begg, Dietrich Böse, Jonathan Clayden, Sean Davis, Jean-Charles Eloi, Georgy P. Goryunov, Ingo V. Hartung, Joseph Heeley, Kirill A. Khaikin, Matthew Kitching, Johannes Krieger, Pavel S. Kulyabin, Alastair Lennox, Roberto Nolla-Saltiel, Natalie E. Pridmore, Benjamin J. S. Rowsell, Hazel A. Sparkes, Dmitry V. Uborsky, Alexander Z. Voskoboynikov, Mark Walsh, Harry J. Wilkinson

Amine-Catalysed Suzuki–Miyaura-Type Coupling? the Identification and Isolation of the Palladium Culprits.

10.26434/chemrxiv.14237288.v1

Posted

Mar 19, 2021

Yevhen Cherniavskyi, Svetlana Baoukina, Bryan W. Holland, D. Peter Tieleman

Lipid Bilayer Structure Refinement with SAXS/SANS Based Restrained Ensemble Molecular Dynamics

10.26434/chemrxiv.14182763.v2

Posted

Mar 22, 2021

Laura. H. John, Gail. M. Preston, Mark S. P. Sansom, Luke Clifton

Large Scale Membrane Movement Induced by a Cation Switch

10.26434/chemrxiv.13603325.v2

Posted

Mar 22, 2021

Benedikt Grau, Maximilian Dill, Frank Hampel, Axel Kahnt, Norbert Jux, Svetlana B. Tsogoeva

Metal-Free Four-Step Domino Reaction Enables Fully Controlled Non-Statistical Synthesis of Hexaarylbenzene with Six Different Aryl Groups

10.26434/chemrxiv.14248463.v1

Posted

Mar 22, 2021

Olga Gigopulu, Nikola Geskovski, Gjoshe Stefkov, Veronika Stoilkovska Gjorgievska, Irena Slaveska Spirevska, Christian Huck, Petre Makreski

Synergistic Use of FTIR Spectroscopy and TG to Elucidate the Solid State THCA Decarboxylation Reaction Kinetics in THCA Standard and Cannabis Flower

10.26434/chemrxiv.14216561.v1

Posted

Mar 22, 2021

Lorenzo Gualandi, Paola Franchi, Elisabetta Mezzina, Stephen Goldup, marco lucarini

Spin-Labelled Mechanically Interlocked Molecules as Models for the Interpretation of Biradical EPR Spectra

10.26434/chemrxiv.14247224.v1

Posted

Mar 22, 2021

Richard Swartwout, Rahul Patidar, Emma Belliveau, Benjia Dou, David Beynon, Peter Greenwood, Nicole Moody, Dane W. deQuilettes, Moungi Bawendi, Trystan M. Watson, Vladimir Bulovic

Predicting Low Toxicity and Scalable Solvent Systems for High Speed Roll-to-Roll Perovskite Manufacturing

10.26434/chemrxiv.13221851.v2

Posted

Mar 22, 2021

Michael R. Reynolds, Fraser S. Pick, John Hayward, John F. Trant

A Concise Synthesis of a Methyl Ester 2-Resorcinarene: A Chair-Conformation Macrocycle

10.26434/chemrxiv.14252861.v1

Posted

Mar 22, 2021

C. Meric Guvenc, sinan balci

Seed Mediated Synthesis of Colloidal Halide Perovskite Nanoplatelets

10.26434/chemrxiv.14252681.v1

Posted

Mar 22, 2021

Yang Gao, david hill, wei hao, Brendon J. McNicholas, julien Vantourout, Ryan Hadt, Sarah Reisman, Donna Blackmond, Phil Baran

Electrochemical Nozaki–Hiyama–Kishi Coupling: Scope, Applications, and Mechanism

10.26434/chemrxiv.14251787.v1

Posted

Mar 22, 2021

Dongyang Zhu, Yifan Zhu, Qianqian Yan, Fangxin Liu, Pingfeng Yu, Chia-Ping Tseng, Nicholas Tjahjono, Po-Chun Huang, Muhammad M. Rahman, Eilaf Egap, Pulickel M. Ajayan, Rafael Verduzco

Crystalline Covalent Organic Framework Aerogels

10.26434/chemrxiv.14252351.v1

Posted

Mar 22, 2021

Nino Läubli, Michael Gerlt, Alexander Wüthrich, Renard Lewis, Naveen Shamsudhin, Ulrike Kutay, Daniel Ahmed, Jürg Dual, Bradley J. Nelson

Embedded Microbubbles for Acoustic Manipulation of Single Cells and Microfluidic Applications

10.26434/chemrxiv.14252393.v1

Posted

Mar 22, 2021

Urbi Pal, Dmitrii Rakov, Bingyu Lu, Baharak Sayahpour, Fangfang Chen, Binayak Roy, Douglas R. MacFarlane, Michel Armand, Patrick C. Howlett, Ying Shirley Meng, Maria Forsyth, Dmitrii A. Rakov

Interphase Control in Lithium Metal Batteries Through Electrolyte Design

10.26434/chemrxiv.14254109.v1

Posted

Mar 22, 2021

Nicolaas P. van Leest, Bas de Bruin

Revisiting the Electronic Structure of Cobalt-Porphyrin Nitrene and Carbene Radicals with NEVPT2-CASSCF Calculations: Doublet versus Quartet Ground States

10.26434/chemrxiv.14254289.v1

Posted

Mar 22, 2021

Nicolas G Hörmann, Karsten Reuter

Thermodynamic Cyclic Voltammograms: Peak Positions and Shapes

10.26434/chemrxiv.14248889.v1

Posted

Mar 22, 2021

Julia Madden, Colm Barrett, Fathima Laffir, Michael Thompson, Paul Galvin, Alan O'Riordan

On-Chip Glucose Detection Based on Glucose Oxidase Encapsulated on a Platinum Modified Gold Microband Electrode

10.26434/chemrxiv.14249057.v1

Posted

Mar 22, 2021

Nikolina Makivic, Jae-Young Cho, Kenneth D. Harris, Jean-Marie Tarascon, Benoit Limoges, Véronique Balland

Evidence of Bulk Proton Insertion in Nanostructured Anatase and Amorphous TiO2 Electrodes

10.26434/chemrxiv.14254298.v1

Posted

Mar 23, 2021

Vivekshinh Kshtriya, Bharti Koshti, Nidhi Gour

Controlled Morphological Changes in Self-Assembled Structures Formed by Fmoc Variants of Threonine and Serine

10.26434/chemrxiv.14255477.v1

Posted

Mar 23, 2021

Anna Skwarska, Ewen Calder, Deborah Sneddon, Hannah Bolland, Maria Odyniec, Ishna N. Mistry, Jennifer Martin, Lisa Folkes, Ester M. Hammond, Stuart Conway

Development and pre-clinical testing of a novel hypoxia-activated KDAC inhibitor

10.26434/chemrxiv.13502706.v2

Posted

Mar 23, 2021

Jenny Phan, Julia Rehbein

Mechanistic Investigations Towards a Successful PET with Breslow-Intermediates

10.26434/chemrxiv.14061392.v2

Posted

Mar 23, 2021

Refinement and Extension of COSMO-RS-Trained Fragment Contribution Models for Predicting Partition Properties of C10–20 Chlorinated Paraffin Congeners

Satoshi Endo

10.26434/chemrxiv.14256599.v1

Posted

Mar 23, 2021

Jingjie Ge, Riccardo Ruixi Chen, Xiao Ren, Xia Li, Jiawei Liu, Samuel Jun Hoong Ong, Junling Wang, Zhichuan J. Xu

Ferromagnetic–Antiferromagnetic Coupling Core–Shell Nanoparticles with Spin Conservation for Water Oxidation

10.26434/chemrxiv.14256683.v1

Posted

Mar 23, 2021

Asim Najibi, Marcos Casanova Paez, Lars Goerigk

An Analysis of Recent BLYP and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics and Noncovalent Interactions

10.26434/chemrxiv.14257274.v1

Posted

Mar 23, 2021

Quantum Chemical Studies and Pharmacophore Modeling for Designing Novel Keap1 Antagonists that Enhance Nrf2 Mediated Neuroprotection

FNU Srinidhi

10.26434/chemrxiv.12854927.v5

Posted

Mar 23, 2021

Riccardo Capelli, Andrea Gardin, Charly Empereur-mot, Giovanni Doni, Giovanni M. Pavan

A Data-Driven Dimensionality Reduction Approach to Compare and Classify Lipid Force Fields

10.26434/chemrxiv.14039834.v3

Posted

Mar 23, 2021

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

STOUT: SMILES to IUPAC Names Using Neural Machine Translation

10.26434/chemrxiv.13469202.v2

Posted

Mar 23, 2021

Zhongtao Feng, Yuanyuan Chong, Shuxuan Tang, Huapeng Ruan, Yong Fang, Yue Zhao, Jun Jiang, Xinping Wang

Stable Boron-Containing Blue-Photoluminescent Radicals

10.26434/chemrxiv.14252666.v1

Posted

Mar 23, 2021

Victor Kwan, Ryan O'Dwyer, David Laur, Jiahua Tan, Styliani Consta

The Relation Between Ejection Mechanism and Ion Abundance in the Electric Double Layer of Drops

10.26434/chemrxiv.13788865.v4

Posted

Mar 23, 2021

Hidetsugu Shiozawa, Zuzana Melnikova, Zdeněk Bastl, Herwig Peterlik, Martin Kalbac, Otakar Frank

Electrochromic 2,5-Dihydroxyterephthalic Acid Linker in Metal-Organic Frameworks

10.26434/chemrxiv.14258516.v1

Posted

Mar 23, 2021

Da Sol Chung, Steve H Park, Sang-gi Lee, Hyunwoo Kim

Electrochemically Driven Stereoselective Approach to syn-1,2-Diol Derivatives from Vinylarenes and DMF

10.26434/chemrxiv.14261078.v1

Posted

Mar 23, 2021

Carolina Amorim, Sergio R.S. Veloso, Elisabete M.S. Castanheira, Loic Hilliou, Renato B. Pereira, David M. Pereira, José A. Martins, Peter J. Jervis, Paula Ferreira

Bolaamphiphilic Bis-Dehydropeptide Hydrogels as Potential Drug Release Systems

10.26434/chemrxiv.14261903.v1

Posted

Mar 23, 2021

Casey S. Mogilevsky, Marco Lobba, Daniel D. Brauer, Alan Marmelstein, Johnathan Maza, Jamie M. Gleason, Jennifer A. Doudna, Matthew Francis

Synthesis of Multi-Protein Complexes through Charge-Directed Sequential Activation of Tyrosine Residues

10.26434/chemrxiv.14251649.v1

Posted

Mar 23, 2021

Clement Ghiazza, Teresa Faber, Alejandro Gomez-Palomino, Josep Cornella

Deaminative Chlorination of Aminoheterocycles

10.26434/chemrxiv.14262671.v1

Posted

Mar 23, 2021

Maisuls Iván, Yolanda Castro Martin, Alicia Duran, Dominic Lariviere, Pablo Arnal

Rapid Removal of Fluoride from Water Using Core@shell and @Shell Nanoparticles of SiO2@ZrO2 and @ZrO2. Investigation of the Mechanisms Involved and Impact of Elemental Leaching

10.26434/chemrxiv.14264222.v1

Posted

Mar 23, 2021

Chemical Education

Water Depollution Control : A Gateway to Reaction Monitoring and Analytical Chemistry

Martin Tiano, Max Roose

10.26434/chemrxiv.14265104.v1

Posted

Mar 23, 2021

Emil G. P. Stender, Rasmus Krogh Norrild, Jacob Aunstrup Larsen, Henrik Jensen, Alexander Buell

Capillary Flow Experiments (Capflex) for Thermodynamic and Kinetic Characterization of Protein LLPS at High Throughput

10.26434/chemrxiv.14265194.v1

Posted

Mar 23, 2021

Isaac D. Falk, Bálint Gál, Ahanjit Bhattacharya, Jeremy H. Wei, Paula V. Welander, Steven Boxer, Noah Burns

Enantioselective Total Synthesis of the Archaeal Lipid Parallel GDGT-0

10.26434/chemrxiv.14227133.v2

Posted

Mar 23, 2021

Jacob Ishibashi, Ian Pierce, Alice Chang, Aristotelis Zografos, Bassil El-Zaatari, Yan Fang, Steven Weigand, Frank S. Bates, Julia Kalow

Mechanical and structural consequences of associative dynamic cross-linking in acrylic diblock copolymers

10.26434/chemrxiv.10000232.v5

Posted

Mar 23, 2021

Konstantinos Kalamatianos

Computer-Aided Approaches to De Novo Design of drug candidates targeting the SARS-CoV-2 Spike protein bound to angiotensin converting enzyme 2 (ACE2)

10.26434/chemrxiv.14242082.v1

Posted

Mar 24, 2021

Tiffany Poynder, Sevan Houston, Jason Dutton

[Ag]2[B12Cl12] as a Catalyst in PhICl2 Mediated Chlorination

10.26434/chemrxiv.14265542.v1

Posted

Mar 24, 2021

Noah Gibson, Alexandria R. C. Bredar, Byron Farnum

Group 13 Lewis Acid Catalyzed Synthesis of Cu2O Nanocrystals via Hydroxide Transmetallation

10.26434/chemrxiv.14265638.v1

Posted

Mar 24, 2021

Xubo Lin, Fujia Tian, Siewert-Jan Marrink

Martini Coarse-Grained Nitrogen Gas Model for Lipid Nanobubble Simulations

10.26434/chemrxiv.13591283.v2

Posted

Mar 24, 2021

Andrew Prentice, Martijn Zwijnenburg

Hydrogen Evolution by Polymer Photocatalysts; a Possible Photocatalytic Cycle

10.26434/chemrxiv.13522721.v2

Posted

Mar 24, 2021

Rational Construction of Organic Electronic Devices Based on S-Indacene Fragments

Hemanth Haridas

10.26434/chemrxiv.14267333.v1

Posted

Mar 24, 2021

Tobias Dürr, Danye Qiu, verena eisenbeis, Nicole Steck, Markus Häner, Alexander Hofer, Andreas Mayer, Jay Siegel, Kim Baldridge, Henning Jessen

The Chemistry of Branched Condensed Phosphates

10.26434/chemrxiv.14267876.v1

Posted

Mar 24, 2021

Ross P. Thomas, Rachel E. Heap, Francesca Zappacosta, Emma K. Grant, Peter Pogany, Stephen Besley, David J. Fallon, Michael M. Hann, David House, Nicholas C. O. Tomkinson, Jacob T. Bush

A Direct-to-Biology High-Throughput Chemistry Approach to Reactive Fragment Screening

10.26434/chemrxiv.14261780.v1

Posted

Mar 24, 2021

Minh-Duc Hoang, Jean-Baptiste Bodin, Farah Savina, Vincent Steinmetz, Jérôme Bignon, Philippe Durand, Gilles Clavier, Rachel Méallet-Renault, Arnaud Chevalier

“CinNapht” Dyes as New Cinnoline/Naphthalimide Fused Hybrids Fluorophores: Synthesis, Photo-Physical Study and Use for Bio-Imaging

10.26434/chemrxiv.14269004.v1

Posted

Mar 24, 2021

Haoxiang Li, Haoyu WU, Wenfeng Zhang, Xiuying Zhao, Yangyang Gao, Liqun Zhang

Rheological Behavior of Polymer Nanocomposites Filled with Spherical Nanoparticles: Insights from Molecular Dynamics Simulation

10.26434/chemrxiv.14084201.v1

Posted

Mar 24, 2021

Angelina Yu. Bobrova, Maxim Novikov, Yury V. Tomilov

(2-Fluoroallyl)pyridinium Tetrafluoroborates: Novel Fluorinated Electrophiles for Pd-Catalyzed Allylic Substitution

10.26434/chemrxiv.14268062.v1

Posted

Mar 24, 2021

Md Imran Hossain, Md Imdadul H. Khan, Seong Jong Kim, Hoang V. Le

Synthesis of 3,4,5-Trisubstituted Isoxazoles in Water via a [3+2]-Cycloaddition of Nitrile Oxides and 1,3-Diketones, β-Ketoesters, or β-Ketoamides: Base-mediated and Keto-enol-controlled Mechanism

10.26434/chemrxiv.14269472.v1

Posted

Mar 24, 2021

Richard Mandle, Stephen Cowling, John W. Goodby

Structural Variants of RM734 in the Design of Splay Nematic Materials

10.26434/chemrxiv.14269916.v1

Posted

Mar 24, 2021

Daniel B. Straus, Robert J. Cava

Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)x(C60)(1-x)(SnI4)2

10.26434/chemrxiv.14270012.v1

Posted

Mar 24, 2021

Jan Felber, Lukas Zeisel, Lena Poczka, Karoline Scholzen, Sander Busker, Martin S. Maier, Ulrike Theisen, Christina Brandstädter, Katja Becker, Elias Arnér, Julia Thorn-Seshold, Oliver Thorn-Seshold

Selective, Modular Probes for Thioredoxins Enabled by Rational Tuning of a Unique Disulfide Structure Motif

10.26434/chemrxiv.14270444.v1

Posted

Mar 24, 2021

Suranjan Paul, John Herbert

Probing Interfacial Effects on Ionization Energies: The Surprising Banality of Anion-Water Hydrogen Bonding at the Air/Water Interface

10.26434/chemrxiv.14273651.v1

Posted

Mar 24, 2021

Ching-min Yeh, Thomas Jarrett, Yuan Gao, Chun-Xia Zhao, Andrew Whittaker, Frank Sainsbury, Alison White

Templating Core-Shell Particles Using Metal Ion-Chelating Biosurfactants

10.26434/chemrxiv.14273987.v1

Posted

Mar 24, 2021

Rui Tang, Kaelyn Gasvoda, Jacob Rabin, Eben Alsberg

Transforming Growth Factor-β1 Is Resilient to Heat-Induced Conformational Change

10.26434/chemrxiv.14275652.v1

Posted

Mar 24, 2021

Atreya Majumdar, Thomas L.C. Jansen

Quantum-Classical Simulation of Molecular Motors Driven Only by Light

10.26434/chemrxiv.14285222.v1

Posted

Mar 25, 2021

Nicolas Dubouis, Thomas Marchandier, Gwenaëlle Rousse, Florencia Marchini, François Fauth, Maxim Avdeev, Antonella Iadecola, Benjamin Porcheron, Michael Deschamps, Jean-Marie Tarascon, Alexis Grimaud

Superconcentrated Electrolytes Widens Insertion Electrochemistry to Soluble Layered Halides

10.26434/chemrxiv.14282021.v1

Posted

Mar 25, 2021

Dominik Göbel, Pascal Rusch, Daniel Duvinage, Tim Stauch, Nadja C. Bigall, Boris Nachtsheim

Substitution Effect on 2-(Oxazolinyl)-phenols: Emission Color-Tunable, Minimalistic Excited-State Intramolecular Proton Transfer (ESIPT)-based Luminophores

10.26434/chemrxiv.14291434.v1

Posted

Mar 25, 2021

Jonathan Pfeuffer-Rooschüz, Alessandro Prescimone, Konrad Tiefenbacher

Xanthene[n]arenes: Exceptionally Large, Bowl-shaped Macrocyclic Building Blocks Suitable for Self-Assembly

10.26434/chemrxiv.14292074.v1

Posted

Mar 25, 2021

Unlocking Phase Diagrams for Molybdenum and Tungsten Nanoclusters and Prediction of their Formation Constants

Enric Petrus, Carles Bo

10.26434/chemrxiv.14292119.v1

Posted

Mar 25, 2021

Anthony Wang, Steven Kauwe, Ryan Murdock, Taylor Sparks

Compositionally-Restricted Attention-Based Network for Materials Property Prediction

10.26434/chemrxiv.11869026.v3

Posted

Mar 25, 2021

george chang, Nathaniel Woody, Christopher Keefer

Providing the ‘Best’ Lipophilicity Assessment in a Drug Discovery Environment

10.26434/chemrxiv.14292485.v1

Posted

Mar 25, 2021

Julia A. Schmidt, Joseph A. Weatherby, Isaac Sugden, Alejandro Santana-Bonilla, Francesco Salerno, Matthew Fuchter, Erin Johnson, Jenny Nelson, Kim Jelfs

Computational Screening of Organic Semiconductors: Exploring Side-Group Functionalisation and Assembly to Optimise Charge Transport in Chiral Molecules

10.26434/chemrxiv.12451943.v2

Posted

Mar 25, 2021

Laure de Thieulloy, Laura Le Bras, Benoît Zumer, Claire Lemarchand, Nicolas Pineau, Carlo Adamo, Aurélie Perrier

Aggregation-Induced Emission: A Challenge for Computational Chemistry. the Example of TPA-BMO.

10.26434/chemrxiv.14292158.v1

Posted

Mar 25, 2021

Bibhuti Bhusan Rath, Jagadese J. Vittal

Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer

10.26434/chemrxiv.14292278.v1

Posted

Mar 25, 2021

Diana Ainembabazi, Jonathan Horlyck, Darren Dolan, Adam Lee, Karen Wilson, Adelina Voutchkova-Kostal

Direct Conversion of Alcohols to Long-Chain Hydrocarbons via Tandem Dehydrogenation-Decarbonylative Olefination

10.26434/chemrxiv.14292311.v1

Posted

Mar 25, 2021

Carlos A. Ramos-Guzmán, J. Javier Ruiz-Pernía, Iñaki Tuñón

Inhibition Mechanism of SARS-CoV-2 Main Protease with Ketone-Based Inhibitors Unveiled by Multiscale Simulations

10.26434/chemrxiv.13340939.v1

Posted

Mar 26, 2021

Luqman Hakim Mohd Azmi, Pavani Cherukupally, Elwin Hunter-Sellars, Bradley P. Ladewig, Daryl R. Williams

Polydimethyl siloxane/MIL-101 Composites for Enhanced Toluene Adsorption in the Presence of Humidity

10.26434/chemrxiv.14292293.v1

Posted

Mar 26, 2021

Ian Seymour, Tarun Narayan, Niamh Creedon, Kathleen Kennedy, Aidan Murphy, Riona sayers, emer kennedy, Ivan O'Connell, James Rohan, Alan O'Riordan

Advanced Solid State Nano-electrochemical Sensors and System for Agri 4.0 Applications

10.26434/chemrxiv.14293538.v1

Posted

Mar 26, 2021

Thomas Delouche, Elsa Caytan, Cassandre Quinton, Thierry Roisnel, Marie Cordier, Vincent Dorcet, Muriel Hissler, Pierre-Antoine Bouit

Taking Advantage of Ortho- and Peri-Substitution to Design Original 9-Membered P,O,Si-Heterocycles

10.26434/chemrxiv.14302520.v1

Posted

Mar 26, 2021

Johanna Schröder, Jonathan Quinson, Jacob J. K. Kirkensgaard, Matthias Arenz

Operando SAXS Study of a Pt/C Fuel Cell Catalyst with an X-ray Laboratory Source

10.26434/chemrxiv.14283788.v1

Posted

Mar 26, 2021

Fluoride Anions in All-Silica Zeolites: Studying Preferred Fluoride Sites and Dynamic Disorder with Density Functional Theory Calculations

Michael Fischer

10.26434/chemrxiv.13607645.v2

Posted

Mar 26, 2021

Masato Sumita, Kei Terayama, Naoya Suzuki, Shinsuke Ishihara, Ryo Tamura, Mandeep K. Chahal, Daniel T. Payne, Kazuki Yoshizoe, Koji Tsuda

De Novo Creation of a Naked-Eye-Detectable Fluorescent Molecule Based on Quantum-Chemical Computation and Machine Learning

10.26434/chemrxiv.14306522.v1

Posted

Mar 26, 2021

Pablo Ortega, Sara Gil-Guerrero, Anzhela Veselinova, Alexandre Zanchet, Lola González-Sánchez, Pablo G. Jambrina, Cristina Sanz-Sanz

Multi and Single-Reference Methods for the Analysis of Multi-State Peroxidation of Enolates

10.26434/chemrxiv.14307368.v1

Posted

Mar 26, 2021

Kevin Renault, Arnaud Chevalier, Jérôme Bignon, Denis Jacquemin, Jean-Alexandre Richard, Anthony ROMIEU

Unprecedented Coumarin-Pyronin Hybrid Dyes: Synthesis, Fluorescence Properties and Theoretical Calculations

10.26434/chemrxiv.14307839.v1

Posted

Mar 26, 2021

Yujue Wang, Lance Parsons, Xiaoyang Su

AccuCor2 Isotope Natural Abundance Correction for Dual-Isotope Tracer Experiments

10.26434/chemrxiv.14308220.v1

Posted

Mar 26, 2021

Travis Buchanan, Samuel Gockel, Alexander Veatch, Ya-Nong Wang, Kami Hull

A Platform for Alkene Carbofunctionalization with Diverse Nucleophiles

10.26434/chemrxiv.14308421.v1

Posted

Mar 26, 2021

Yusu Chen, Qifeng Wang, Carolyn Mills, Johanna Kann, Kenneth Shull, Danielle Tullman-Ercek, Muzhou Wang

High Throughput Centrifugal Adhesion Screening Test for Soft Materials

10.26434/chemrxiv.14308679.v1

Posted

Mar 26, 2021

Elena Plaza Mayoral, Paula Sebastián Pascual, Kim Nicole Dalby, Kim Degn Jensen, Ib Chorkendorff, Hanne Falsig, María Escudero-Escribano

Green Preparation of High Surface Area Cu-Au Bimetallic Nanostructured Materials by Co-Electrodeposition in a Deep Eutectic Solvent

10.26434/chemrxiv.14312087.v1

Posted

Mar 26, 2021

Gaurav Kumar, Limin Ren, Yutong Pang, Xinyu Li, Han Chen, Jason Gulbinski, Paul Dauenhauer, Michael Tsapatsis, Omar Abdelrahman

On the Acid Sites of Phosphorous Modified Zeosils

10.26434/chemrxiv.14225942.v2

Posted

Mar 26, 2021

Yongseon Kim, Gregory Collinge, Mal Soon Lee, Konstantin Khivantsev, Sung June Cho, Vassiliki-Alexandra Glezakou, Roger Rousseau, Janos Szanyi, Ja Hun Kwak

Are All Single Atoms Created Equal? Surface Density Dependent Catalytic Activity of Single Pd Atoms Supported on Ceria

10.26434/chemrxiv.14312780.v1

Posted

Mar 26, 2021

Qian WU, Junkai Liu, Youmei Li, Michelle Mei Suet Lee, lianrui hu, Panwang Zhou, Dong Wang, Ben Zhong Tang

Janus Luminogens with Bended Intramolecular Charge Transfer: Towards Molecular Transistor and Brain Imaging

10.26434/chemrxiv.14313329.v1

Posted

Mar 26, 2021

Abdessalem Aribia, Jordi Sastre, Xubin Chen, Evgeniia Gilshtein, Ayodhya N. Tiwari, Yaroslav E. Romanyuk

In situ Lithiated ALD Niobium Oxide for Improved Long Term Cycling of Layered Oxide Cathodes: A Thin-Film Model Study

10.26434/chemrxiv.13568366.v3

Posted

Mar 26, 2021

Simon M. Clark, Bruno Colas, Dorrit E. Jacob, Jӧrg Neuefeind, Hsiu-Wen Wang, Katherine L. Page, Alan K. Soper, Philipp I. Schodder, Patrick Duchstein, Benjamin Apeleo Zubiri, Tadahiro Yokosawa, Vitaliy Pipich, Dirk Zahn, Erdmann Spiecker, Stephan E. Wolf

Nano- and Mesoscale Structures of Amorphous Calcium Carbonate Indicate Nanoscale Assembly Processes

10.26434/chemrxiv.14292161.v1

Posted

Mar 26, 2021

Ariel Riofrio, Tania Alcivar, Haci Baykara

The Environmental and Economic Viability of Chitosan Production in Guayas-Ecuador: A Robust Investment and Life Cycle Analysis

10.26434/chemrxiv.14299631.v1

Posted

Mar 29, 2021

Lucy Fillbrook, Jan-Philipp Günther, Günter Majer, William S. Price, Peer Fischer, Jonathon Beves

Errors in the Use of NMR to Test Molecular Mobility during a Chemical Reaction

10.26434/chemrxiv.14306771.v1

Posted

Mar 29, 2021

Alessandro Fracassi, Ankita Ray, Nako Nakatsuka, Cristiana Passiu, Matthias Tanriver, Dominik Schauenburg, Simon Scherrer, S.N Ramakrishna, Jeffrey Bode, Nicholas D. Spencer, Antonella Rossi, Yoko Yamakoshi

KAT Ligation for Rapid and Facile Covalent Attachment of Biomolecules to Surfaces

10.26434/chemrxiv.14315615.v1

Posted

Mar 29, 2021

Rianne E. van Outersterp, Udo F. H. Engelke, Jona Merx, Giel Berden, Mathias Paul, Thomas Thomulka, Albrecht Berkessel, Marleen C. D. G. Huigen, Leo A. J. Kluijtmans, Jasmin Mecinović, Floris P. J. T. Rutjes, Clara D.M. van Karnebeek, Ron A. Wevers, Thomas J. Boltje, Karlien L.M. Coene, Jonathan Martens, Jos Oomens

Metabolite Identification Using Infrared Ion Spectroscopy – Novel Biomarkers for Pyridoxine-Dependent Epilepsy

10.26434/chemrxiv.14315579.v1

Posted

Mar 29, 2021

Jedrzej Piatek, Tetyana Budnyak, Bruno V. M. Rodrigues, Robin Gueret, Erik Svensson Grape, Aleksander Jaworski, Andrew Kentaro Inge, Adam Slabon

Toward Sustainable Li-Ion Batteries Recycling: Green MOF as a Molecular Sieve for the Selective Separation of Cobalt and Nickel

10.26434/chemrxiv.14316539.v1

Posted

Mar 29, 2021

Lukas Hahn, Emine Karakaya, Theresa Zorn, Benedikt Sochor, Matthias Maier, Philipp Stahlhut, Stefan Forster, Karl Fischer, Sebastian Seiffert, Ann-Christin Pöppler, Rainer Detsch, Robert Luxenhofer

An Inverse Thermogelling Bioink Based on an ABA Type Poly(2-Oxazoline) Amphiphile

10.26434/chemrxiv.14317205.v1

Posted

Mar 29, 2021

Reginald Mills, Racquel Edjoc, Sophie Rousseaux

Design of an Electron-Withdrawing Benzonitrile Ligand for Ni-Catalyzed Cross-Coupling Involving Tertiary Nucleophiles

10.26434/chemrxiv.14298665.v1

Posted

Mar 29, 2021

Laura Le Bras, Yves L. Dory, Benoît CHAMPAGNE

Computational Prediction of the Supramolecular Self-Assembling Properties of Organic Molecules: Flexibility vs Rigidity

10.26434/chemrxiv.14317706.v1

Posted

Mar 29, 2021

Harry Geddes, Henry D. Hutchinson, Alex R Ha, Nicholas P. Funnell, Andrew Goodwin

Extracting Interface Correlations from the Pair Distribution Function of Composite Materials

10.26434/chemrxiv.14318741.v1

Posted

Mar 29, 2021

Aini Palizhati, Muratahan Aykol, Santosh Suram, Jens Strabo Hummelshøj, Joseph H. Montoya

Multi-fidelity Sequential Learning for Accelerated Materials Discovery

10.26434/chemrxiv.14312612.v1

Posted

Mar 29, 2021

Djork-Arné Clevert, Tuan Le, Robin Winter, Floriane Montanari

Img2Mol - Accurate SMILES Recognition from Molecular Graphical Depictions

10.26434/chemrxiv.14320907.v1

Posted

Mar 29, 2021

Ibraheem Olayiwola Bisiriyu, Reinout Meijboom

Chitosan-Transition Metal Coordination Biopolymer: A Promising Heterogeneous Catalyst for Radical Ion Polymerization of Vinyl Acetate at Ambient Temperature.

10.26434/chemrxiv.14326727.v1

Posted

Mar 29, 2021

Richard Y Kong, Mark Crimmin

1st Row Transition Metal Aluminylene Complexes: Preparation, Properties and Bonding Analysis

10.26434/chemrxiv.14330060.v1

Posted

Mar 29, 2021

Magnesium Oxide as an Additive with Polymeric Sulfur Cathode and Modified Glass Fiber Separator for High Performance Lithium-Sulfur Batteries

Maryam Sadat Kiai

10.26434/chemrxiv.14330294.v1

Posted

Mar 29, 2021

ludovica epasto, tristan georges, albina selimovic, Jean-Michel Guigner, Thierry Azaïs, Dennis Kurzbach

Formation and Evolution of Nanoscale Calcium Phosphate Precursors Under Biomimetic Conditions

10.26434/chemrxiv.14330390.v1

Posted

Mar 29, 2021

Tomasz Gabler, Andrzej Krześniak, Monika Janik, Anna Myśliwiec, Marcin Koba, Joanna Buczyńska, Martin Jönsson-Niedziolka, Mateusz Śmietana

Electrochemistry in an Optical Fiber Microcavity - Optical Monitoring of Electrochemical Processes in Picoliter Volumes

10.26434/chemrxiv.14330384.v1

Posted

Mar 29, 2021

Sebastian Sitkiewicz, Eloy Ramos-Cordoba, Josep M. Luis, Eduard Matito

How Many Electrons Holds a Molecular Electride?

10.26434/chemrxiv.14330405.v1

Posted

Mar 29, 2021

Jie Xue, Jingyi Xu, Jiajun Ren, Qingxin Liang, Qi Ou, Rui Wang, Zhigang Shuai, JUAN QIAO

Overcome the Energy Gap Law in Near-Infrared Emissive Aggregates via Nonadiabatic Coupling Suppression

10.26434/chemrxiv.14330591.v1

Posted

Mar 30, 2021

Matthew Mitcheltree, Jack W. Stevenson, Amarnath Pisipati, Andrew G. Myers

A Practical, Component-Based Synthetic Route to Methylthiolincosamine Permitting Facile Northern-Half Diversification of Lincosamide Antibiotics

10.26434/chemrxiv.14331056.v1

Posted

Mar 30, 2021

Huanhuan Wang, Zhuang Zhang, Jovana V. Milić, Liguo Tan, Zaiwei Wang, Rong Chen, Xin Jing, Chenyi Yi, Yi Ding, Yuelong Li, Ying Zhao, Xiaodan Zhang, Anders Hagfeldt, Michael Grätzel, Jingshan Luo

Interfacial Haloplumbate Modulation for Efficient and Stable Hybrid Perovskite Photovoltaics

10.26434/chemrxiv.14331218.v1

Posted

Mar 30, 2021

Nicholas Zervoudis, Allie Obermeyer

The Effects of Protein Charge Patterning on Complex Coacervation

10.26434/chemrxiv.14331320.v1

Posted

Mar 30, 2021

Matthew Mitcheltree, Amarnath Pisipati, Egor A. Syroegin, Katherine J. Silvestre, Dorota Klepacki, Jeremy Mason, Daniel W. Terwilliger, Giambattista Testolin, Aditya R. Pote, Kelvin J. Y. Wu, Richard Porter Ladley, Kelly Chatman, Alexander S. Mankin, Yury S. Polikanov, Andrew G. Myers

A Synthetic Antibiotic Scaffold Effective Against Multidrug-Resistant Bacterial Pathogens

10.26434/chemrxiv.14331407.v1

Posted

Mar 30, 2021

Chemical Education

Chemistry and Quantum Mechanics

J. F. Ogilvie

10.26434/chemrxiv.14331578.v1

Posted

Mar 30, 2021

Kazuki Akisawa, Ryo Hatada, Koji Okuwaki, Shun Kitahara, Yusuke Tachino, Yuji Mochizuki

Fragment Molecular Orbital Based Interaction Analyses on Complexes Between RBD Variants and ACE2

10.26434/chemrxiv.14318459.v2

Posted

Mar 30, 2021

Titus Masese, Yoshinobu Miyazaki, Josef Rizell, Godwill Mbiti Kanyolo, Chih-Yao Chen, Hiroki Ubukata, Keigo Kubota, Kartik Sau, Tamio Ikeshoji, Zhen-Dong Huang, Kazuki Yoshii, Teruo Takahashi, Miyu Ito, Hiroshi Senoh, Jinkwang Hwang, Abbas Alshehabi, Kazuhiko Matsumoto, Masatomo Yashima, Kotaro Fujii, Toshiyuki Matsunaga, Masahiro Shikano, Yoshiharu Uchimoto, Cedric Tassel, Rika Hagiwara, Hiroshi Kageyama, Tomohiro Saito

Stacking Disorders in MixedAlkali Honeycomb Layered Oxide NaKNi2TeO6 and Feasibility for Mixed-Cation Transport

10.26434/chemrxiv.13250333.v2

Posted

Mar 30, 2021

BAR-based Multi-dimensional Nonequilibrium Pulling for Indirect Construction of QM/MM Free Energy Landscapes: Varying the QM Region

Zhaoxi Sun, Zhirong Liu

10.26434/chemrxiv.13634981.v3

Posted

Mar 30, 2021

Elham Gholizadeh, Shyamal Prasad, Lara Gillan, Dane R. McCamey, Murad J. Y. Tayebjee, Timothy Schmidt

Singlet and Triplet Exciton Dynamics of Violanthrone

10.26434/chemrxiv.14331737.v1

Posted

Mar 30, 2021

Apoorva Vishwakarma, Francis Dang, Allison Ferrell, Hazel A. Barton, Abraham Joy

Peptidomimetic Polyurethanes Disrupt Surface Established Bacterial Biofilms and Prevent Biofilm Formation

10.26434/chemrxiv.14332589.v1

Posted

Mar 30, 2021

ARKAPRABHA GIRI, Subha Biswas, Tapas Dutta, MD. WASEEM HUSSAIN, Abhijit Patra

Nanospheres to Nanosheets: Unfolding the Morphological Influence of Microporous Organic Polymers on Micropollutants Removal

10.26434/chemrxiv.14333936.v1

Posted

Mar 30, 2021

James D. Grayson, Francesca M. Dennis, Craig Robertson, Benjamin Partridge

Chan-Lam Amination of Benzylic Secondary and Tertiary Boronic Esters

10.26434/chemrxiv.12925199.v2

Posted

Mar 30, 2021

Elisabetta Ronchi, Shauna M. Paradine, Eric Jacobsen

Enantioselective, Catalytic Multicomponent Synthesis of Homoallylic Amines Enabled by Hydrogen-Bonding and Dispersive Interactions

10.26434/chemrxiv.14333459.v1

Posted

Mar 31, 2021

Alexander Schleusener, Mathias Micheel, Stefan Benndorf, Markus Rettenmayr, Wolfgang Weigand, Maria Wächtler

Ultrafast Electron Transfer from CdSe Quantum Dots to a [FeFe]-Hydrogenase Mimic

10.26434/chemrxiv.14333582.v1

Posted

Mar 31, 2021

Paola Marino, P. Rafael Donnarumma, Hudson de Aguiar Bicalho, Victor Quezada-Novoa, Hatem M. Titi, Ashlee J Howarth

A Step Towards Change: A Green Alternative for the Synthesis of Metal–Organic Frameworks

10.26434/chemrxiv.14339708.v1

Posted

Mar 31, 2021

Katrin Ackermann, Joshua Wort, Bela Bode

Nanomolar Pulse Dipolar EPR Spectroscopy in Proteins; the Copper(II)-Copper(II) and Nitroxide-Nitroxide Cases

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Mar 31, 2021

Marc Hamilton Garner, Clemence Corminboeuf

Helical Electronic Transitions of Spiroconjugated Molecules

10.26434/chemrxiv.13636457.v3

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Mar 31, 2021

Juliane Kade, Biranche Tandon, Jan Weichhold, Dario Pisignano, Luana Persano, Robert Luxenhofer, Paul D Dalton

Melt Electrowriting of Poly(vinylidene Fluoride-Co-Trifluoroethylene)

10.26434/chemrxiv.14315474.v2

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Mar 31, 2021

Masahiro Mimura, Shunsuke Tomita, Yoichi Shinkai, Takuya Hosokai, Hiroyuki Kumeta, Tomohide Saio, Kentaro Shiraki, Ryoji Kurita

Quadruplex folding promotes the condensation of linker histones and DNAs via liquid-liquid phase separation

10.26434/chemrxiv.11822076.v3

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Mar 31, 2021

Theodosios Famprikis, Houssny Bouyanfif, Pieremanuele Canepa, James Dawson, Mohamed Zbiri, Emmanuelle Suard, François Fauth, Helen Y. Playford, Damien Dambournet, Olaf Borkiewicz, Matthieu Courty, Jean-Nöel Chotard, Saiful Islam, Christian Masquelier

Insights into the rich polymorphism of the Na+ ion conductor Na3PS4 from the perspective of variable-temperature diffraction and spectroscopy

10.26434/chemrxiv.13567454.v2

Posted

Mar 31, 2021

Davide Barreca, Ettore Fois, Alberto Gasparotto, Chiara Maccato, Mario Oriani, gloria tabacchi

The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study

10.26434/chemrxiv.14125961.v2

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Mar 31, 2021

Arup Sarkar, Reshma Jose, Harshit Ghosh, Rajaraman Gopalan, Gopalan Rajaraman

Record High Magnetic Anisotropy in Three Coordinate MnIII and CrII Complexes: A Theoretical Perspective

10.26434/chemrxiv.14338907.v1

Posted

Mar 31, 2021

Matheus Ferraz, EMERSON MOREIRA, Danilo F. Coêlho, Gabriel Wallau, Roberto Lins

SARS-CoV-2 VOCs Immune Evasion from Previously Elicited Neutralizing Antibodies Is Mainly Driven by Lower Cross-Reactivity Due to Spike RBD Electrostatic Surface Changes

10.26434/chemrxiv.14343743.v1

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Mar 31, 2021

Beata Łukasik, Justyna Kowalska, Sebastian Frankowski, Lukasz Albrecht

Vinylogous Hydrazone Strategy for the Organocatalytic Alkylation of Heteroaromatic Derivatives

10.26434/chemrxiv.14213972.v1

Posted

Mar 31, 2021

Lukas Hahn, Larissa Keßler, Lando Polzin, Lars Fritze, Holger Helten, Robert Luxenhofer

ABA Type Amphiphiles with Poly(2-Benzhydryl-2-Oxazine) Moieties: Synthesis, Characterization and Inverse Thermogelation