Archive | ChemRxiv | Cambridge Open Engage

Banny Correia, Gilberto Gaspar Duarte Ortin, Maiara da Silva Santos, Raquel Susana Torrinhas, Natalia Cristina Mor, Adalberto Luis Val, Ljubica Tasic

NMR in Analysis of the Nutritional Value of Lipids from Muscles and Livers of Wild Amazonian Fishes with Different Eating Habits over Seasonal Variation

Posted

Feb 03, 2020

10.26434/chemrxiv.11771388.v1

Andrew A. Wilkinson, Elodie Jagu, Krystian Ubych, Steven Coulthard, Ashleigh E. Rushton, Jack Kennefick, Qiang Su, Robert K. Neely, Paco Fernandez-Trillo

Site-selective and Re-writable Labeling of DNA through Enzymatic, Reversible and Click Chemistries

Posted

Feb 03, 2020

10.26434/chemrxiv.9939008.v2

Jo Pi, Martina Stella, Nathalie Fernando, Aaron Lam, Anna Regoutz, Laura Ratcliff

Predicting Core Level Photoelectron Spectra of Amino Acids Using Density Functional Theory

Posted

Feb 03, 2020

10.26434/chemrxiv.11778882.v1

Vinicius Cruzeiro, Gustavo Troiano Feliciano, Adrian Roitberg

Exploring Coupled Redox and pH Processes with a Force Field-Based Approach: Applications to Five Different Systems

Posted

Feb 03, 2020

10.26434/chemrxiv.11782188.v1

Manivannan Kokarneswaran, Prakash Selvaraj, Thennarasan Ashokan, Suresh Perumal, Pathikumar Sellappan, Durai Murugan Kandhasamy, Nagaboopathy Mohan, Vijayanand Chandrasekaran

Carbon Nanotubes in Keeladi Potteries

Posted

Feb 03, 2020

10.26434/chemrxiv.11760216.v1

Kathryn Deeg, Daiane Damasceno Borges, Daniele Ongari, Nakul Rampal, Leopold Talirz, Aliaksandr V. Yakutovich, Johanna M. Huck, Berend Smit

In Silico Discovery of Covalent Organic Frameworks for Carbon Capture

Posted

Feb 03, 2020

10.26434/chemrxiv.11782149.v1

Koushik Barman, Martin A. Edwards, David P. Hickey, Christopher Sandford, Yinghua Qiu, rui gao, Shelley D. Minteer, Henry White

Electrochemical Reduction of [Ni(Mebpy)3]2+. Elucidation of the Redox Mechanism by Cyclic Voltammetry and Steady-State Voltammetry in Low Ionic Strength Solutions.

Posted

Feb 03, 2020

10.26434/chemrxiv.11782266.v1

Dominik Göbel, Daniel Duvinage, Tim Stauch, Boris Nachtsheim

Nitrile-Substituted 2-(Oxazolinyl)-Phenols: Minimalistic Excited-State Intramolecular Proton Transfer (ESIPT)-Based Fluorophores

Posted

Feb 03, 2020

10.26434/chemrxiv.11786196.v1

Yoshiyuki Kageyama, Tomonori Ikegami, Shinnosuke Satonaga, Kazuma Obara, Hiroyasu Sato, Sadamu Takeda

Autonomous flipping of azobenzene assemblies under light irradiation (II)

Posted

Feb 03, 2020

10.26434/chemrxiv.11786088.v1

James McDonagh, William Swope, Richard L. Anderson, Michael Johnston, David J. Bray

What Can Digitization Do For Formulated Product Innovation and Development

Posted

Feb 03, 2020

10.26434/chemrxiv.11763864.v2

Nima Rajabi, Alexander Lund Nielsen, Christian Adam Olsen

Dethioacylation by Sirtuins 1–3: Considerations for Drug Design using Mechanism-based Sirtuin Inhibition

Posted

Feb 03, 2020

10.26434/chemrxiv.11339774.v2

Shusuke Kasamatsu, Osamu Sugino, Takafumi Ogawa, Akihide Kuwabara

Insights Into Defect Arrangements in Y-Doped BaZrO3 From Large-Scale First-Principles Thermodynamic Sampling: Association, Repulsion, Percolation, and Trapping

Posted

Feb 03, 2020

10.26434/chemrxiv.11786286.v1

Yunzhong Wang, Saixing Tang, Yating Wen, Shuyuan Zheng, Bing Yang, Wang Zhang Yuan

DNA Inspirited Rational Construction of Nonconventional Luminophores with Efficient and Color-Tunable Afterglow

Posted

Feb 03, 2020

10.26434/chemrxiv.11786448.v1

jingchuan xue, Xavier Domingo-Almenara, Carlos Guijas, Amelia Palermo, Markus Rinschen, H. Paul Benton, Gary Siuzdak

Enhanced Electrospray In-source Fragmentation for Higher Sensitivity Data Independent Acquisition and Autonomous METLIN Molecular Identification

Posted

Feb 03, 2020

10.26434/chemrxiv.11755098.v1

Riccardo Mobili, Sonia La Cognata, Francesca Merlo, Andrea Speltini, Massimo Boiocchi, Teresa Recca, Louis James Maher III, Valeria Amendola

Liquid-liquid extraction of succinate using a dicopper cryptate

Posted

Feb 04, 2020

10.26434/chemrxiv.11786784.v1

Samantha L. Anderson, Davide Tiana, Christopher Ireland, Gloria Capano, Maria Fumanal, Andrzej Gładysiak, Stavroula Kampouri, Aiman Rahmanudin, Néstor Guijarro, Kevin Sivula, Kyriakos Stylianou, Berend Smit

Taking Lanthanides out of Isolation: Tuning the Optical Properties of Metal-Organic Frameworks

Posted

Feb 04, 2020

10.26434/chemrxiv.11787534.v1

Pui Munn Wong, Teck Hock Lim, Joon Ching Juan, Jau Choy Lai

Indium Hydroxide/Silver/Carbon Nanocomposite: Synthesis via Galvanic Reaction between In Nanoparticles and Silver Nitrate, Characterization and Its Photocatalytic Activity

Posted

Feb 04, 2020

10.26434/chemrxiv.11788947.v1

Caoimhe Robinson, Niamh Creedon, Riona sayers, emer kennedy, Alan O'Riordan

Electrochemical-Based Serological Detection of Bovine Immunoglobulin G in Calves

Posted

Feb 04, 2020

10.26434/chemrxiv.11793633.v1

Suresh Natarajan, Cara-Lena Nies, Michael Nolan

The Role of Ru Passivation and Doping on the Barrier and Seed Layer Properties of Ru-Modiﬁed TaN for Copper Interconnects

Posted

Feb 04, 2020

10.26434/chemrxiv.11794260.v1

Haoyang Yu, Alyxandra Thiessen, Md Asjad Hossain, Marc Julian Kloberg, Bernhard Rieger, Jonathan G.C. Veinot

Thermally-Induced Dehydrogenative Coupling of Organosilanes and H-Terminated Silicon Quantum Dots onto Germanane Surfaces

Posted

Feb 04, 2020

10.26434/chemrxiv.11794404.v1

Jordan N. Bentley, Ekadashi Pradhan, Tao Zeng, Christopher B. Caputo

Bis(pentafluorophenyl)phenothiazylborane – A Pseudo Frustrated Radical Pair for the Catalytic Dehydrocoupling of Stannanes

Posted

Feb 04, 2020

10.26434/chemrxiv.11796129.v1

Romain Gaillac, Siwar Chibani, François-Xavier Coudert

Speeding Up Discovery of Auxetic Zeolite Frameworks by Machine Learning

Posted

Feb 04, 2020

10.26434/chemrxiv.11796150.v1

Casey B. Roos, Joachim Demaerel, David E. Graff, Robert Knowles

Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer

Posted

Feb 04, 2020

10.26434/chemrxiv.11796702.v1

Jay Chan, Stephanie Lambie, Joe Trodahl, Denis Lefebvre, Maxime Le Ster, Ali Shaib, Felicia Ullstad, Simon Brown, Ben Ruck, Anna Garden, Franck Natali

Facile dissociation of molecular nitrogen using lanthanide surfaces: towards ambient temperature ammonia synthesis

Posted

Feb 04, 2020

10.26434/chemrxiv.11796513.v1

10.26434/chemrxiv.11799705.v1

Homology Models of the Papain-Like Protease PLpro from Coronavirus 2019-nCoV

Martin Stoermer

Posted

Feb 04, 2020

Gavin Craig, Patrick Larpent, Hinano Urabe, alexandre legrand, Mickaele Bonneau, Shinpei Kusaka, Shuhei Furukawa

Hysteresis in the Gas Sorption Isotherms of Metal-Organic Cages Accompanied by Subtle Changes in Molecular Packing

Posted

Feb 05, 2020

10.26434/chemrxiv.11798763.v1

Chuanli Wu, Xiaohang Qiao, Craig M. Robertson, Simon Higgins, Chenxin Cai, Richard Nichols, Andrea Vezzoli

A Chemically Soldered Polyoxometalate Single-Molecule Transistor

Posted

Feb 05, 2020

10.26434/chemrxiv.11763426.v2

Zoi Salta, Jacopo Lupi, Vincenzo Barone, Oscar Ventura

H–Abstraction from Dimethyl Sulfide in the Presence of an Excess of Hydroxyl Radicals. A Quantum Chemical Evaluation of Thermochemical and Kinetic Parameters Unveil an Alternative Pathway to Dimethyl Sulfoxide.

Posted

Feb 05, 2020

10.26434/chemrxiv.11799096.v1

Roi Asor, Christopher John Schlicksup, Zhongchao Zhao, Adam Zlotnick, Uri Raviv

Rapidly Forming Early Intermediate Structures Dictate the Pathway of Capsid Assembly

Posted

Feb 05, 2020

10.26434/chemrxiv.11799573.v1

Shuyuan Zheng, Tianwen Zhu, Yunzhong Wang, Tianjia Yang, Wang Zhang Yuan

Accessing Tunable Afterglows from Highly Twisted Organic AIEgens via Effective Through-Space Conjugation

Posted

Feb 05, 2020

10.26434/chemrxiv.11604105.v1

Organometallic Chemistry

Pierre Milbeo, François Quintin, Laure Moulat, Claude Didierjean, Jean Martinez, Xavier Bantreil, Monique Calmès, Frédéric Lamaty

Synthesis, Characterisation and Cytotoxic Activity Evaluation of New Metalsalen Complexes Based on the 1,2-bicyclo[2.2.2]octane Bridge

Posted

Feb 05, 2020

10.26434/chemrxiv.11800257.v1

10.26434/chemrxiv.11637294.v3

Homology Models of Coronavirus 2019-nCoV 3CLpro Protease

Martin Stoermer

Posted

Feb 05, 2020

Amin Jafarzadeh, Kristof M. Bal, Annemie Bogaerts, Erik C. Neyts

Activation of CO2 on Copper Surfaces: The Synergy Between Electric Field, Surface Morphology and Excess Electrons

Posted

Feb 06, 2020

10.26434/chemrxiv.11806872.v1

Dmitry Baranov, Gianvito Caputo, Luca Goldoni, Zhiya Dang, Riccardo Scarfiello, Luca De Trizio, Alberto Portone, Filippo Fabbri, Andrea Camposeo, Dario Pisignano, Liberato Manna

Transforming Colloidal Cs4PbBr6 Nanocrystals by Poly(maleic anhydride-alt-1-octadecene) into Stable CsPbBr3 Perovskite Emitters Through Intermediate Heterostructures

Posted

Feb 06, 2020

10.26434/chemrxiv.11808015.v1

Rory Waterman, Matthew B. Reuter

Photoactivated Silicon–Oxygen and Silicon–Nitrogen Heterodehydrocoupling with a Commercially Available Iron Compound

Posted

Feb 06, 2020

10.26434/chemrxiv.11441625.v2

Yun Tian, Haoran Zhang, Zach Zhu, Li Chen, Evelyn Wang, Jianyang Jin, Dan Li, Wenquan Zhu, Min Li, Lei Fu

A Variation of Favorskii Rearrangement Mechanism Under Weakly Acidic Conditions: The Case of Clobetasol Propionate Degradation in Solution

Posted

Feb 06, 2020

10.26434/chemrxiv.11809077.v1

Victoria T. Lim, Andrew D. Geragotelis, Nathan M. Lim, J. Alfredo Freites, Francesco Tombola, David Mobley, Doug Tobias

Insights on Small Molecule Binding to the Hv1 Proton Channel from Free Energy Calculations with Molecular Dynamics Simulations

Posted

Feb 06, 2020

10.26434/chemrxiv.11809128.v1

Vigneshwari Subramanian, Ekaterina Ratkova, David Palmer, Ola Engkvist, Maxim Fedorov, Antonio Llinas

Multi-Solvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors

Posted

Feb 06, 2020

10.26434/chemrxiv.11791245.v1

Arturo Gamonal, Chen Sun, A. Lorenzo Mariano, Estefania Fernandez-Bartolome, Elena SanVicente, Bess Vlaisavljevich, Javier Castells-Gil, Carlos Martí-Gastaldo, Roberta Poloni, Reinhold Wannemacher, Juan Cabanillas-Gonzalez, José Sanchez Costa

Divergent Adsorption-Dependent Luminescence of Amino- Functionalized Lanthanide Metal-Organic Frameworks for Highly Sensitive NO2 Sensors

Posted

Feb 06, 2020

10.26434/chemrxiv.11708364.v2

cong wand, jian li, Erwan Paineau, Abdelghani Laachachi, Christophe Colbeau-Justin, Hynd Remita, mohamed-nawfal ghazzal

Sol-Gel Biotemplating Route with Cellulose Nanocrystals to Design Photocatalyst Boosting the Hydrogen Generation

Posted

Feb 06, 2020

10.26434/chemrxiv.11794308.v1

Arpita Poddar, Suneela Pyreddy, Francesco Carraro, Sudip Dhakal, Andrea Rassell, Matthew R. Field, T. Srinivasa Reddy, paolo falcaro, Cara M. Doherty, Ravi Shukla

ZIF Polymorphs for Nucleic Acid Delivery and Targeted Knockdown of Gene Expression in Prostate Cancer

Posted

Feb 06, 2020

10.26434/chemrxiv.11807268.v1

Alistair Sterling, Alexander Durr, Russell C. Smith, Edward Anderson, Fernanda Duarte

Rationalizing the diverse reactivity of [1.1.1]propellane through sigma-pi-delocalization

Posted

Feb 07, 2020

10.26434/chemrxiv.9733628.v2

Michael Fortunato, Connor W. Coley, Brian Barnes, Klavs F. Jensen

Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning

Posted

Feb 07, 2020

10.26434/chemrxiv.11811564.v1

Earth, Space, and Environmental Chemistry

Josée Maurais, Étienne Beaumont, Joanick Bourret, Emrik Dauphinais, Nicolas-Alexandre Bouchard, Patrick Ayotte

A Thermal Imaging Methodology To Study Evaporation Kinetics in Mine Tailings

Posted

Feb 07, 2020

10.26434/chemrxiv.10039943.v2

Maximilian Kuhn, Stuart Firth-Clark, Paolo Tosco, Antonia S. J. S. Mey, Mark Mackey, Julien Michel

Automated Assessment of Binding Affinity via Alchemical Free Energy Calculations

Posted

Feb 07, 2020

10.26434/chemrxiv.11812053.v1

Laurent Souqui, Justinas Palisaitis, Hans Högberg, Henrik Pedersen

Plasma CVD of B-C-N Thin Films Using Triethylboron in Argon-Nitrogen Plasma

Posted

Feb 07, 2020

10.26434/chemrxiv.11812371.v1

Seyed Mohamad Moosavi, Henglu Xu, Linjiang Chen, Andrew I. Cooper, Berend Smit

Geometric Landscapes for Material Discovery within Energy-Structure-Function Maps

Posted

Feb 07, 2020

10.26434/chemrxiv.11813262.v1

Brian Koronkiewicz, John R. Swierk, Kevin P. Regan, James Mayer

Shallow Distance Dependence for Proton-Coupled Tyrosine Oxidation in Oligoproline Peptides

Posted

Feb 07, 2020

10.26434/chemrxiv.11813361.v1

Guifang Feng, Yanhong Hao, Liang Wu, Suming Chen

Visible-Light Activated [2+2] Photocycloaddition Reaction Enabled Identification of Carbon-Carbon Double Bonds Position Isomerism in Structural Lipidomics

Posted

Feb 07, 2020

10.26434/chemrxiv.11813475.v1

Bianca Gevers, Sajid Naseem, Charles Sheppard, Andreas Leuteritz, Johan Labuschagne

Modification of Layered Double Hydroxides Using First-Row Transition Metals for Superior UV-Vis-NIR Absorption and the Influence of the Synthesis Method Used

Posted

Feb 07, 2020

10.26434/chemrxiv.11815443.v1

Jamie Docherty, Kieran Nicholson, Andrew P Dominey, Stephen Thomas

A Boron-Boron Double Transborylation Strategy for the Synthesis of gem-Diborylalkanes

Posted

Feb 07, 2020

10.26434/chemrxiv.11815830.v1

Dennis Kollofrath, Marcel Geppert, Sebastian Polarz

Meso-Architecture Block Copolymers with High Surface Area Styrene-Bridged Organosilica Particles as Constituent for the Stimuli-Responsive Remediation of Water

Posted

Feb 07, 2020

10.26434/chemrxiv.11815935.v1

Sogol Lotfi, Ziyan Zhang, Gayatri Viswanathan, Kaitlyn Fortenberry, Aria Mansouri Tehrani, Jakoah Brgoch

Targeting Productive Composition Space Through Machine-Learning Directed Inorganic Synthesis

Posted

Feb 07, 2020

10.26434/chemrxiv.11803119.v2

Arun Moorthy, Anthony J. Kearsley, W. Gary Mallard, William E. Wallace

Mass Spectral Similarity Mapping Applied to Fentanyl Analogs

Posted

Feb 07, 2020

10.26434/chemrxiv.11816841.v1

Christian Devereux, Justin Smith, Kate Davis, Kipton Barros, Roman Zubatyuk, Olexandr Isayev, Adrian Roitberg

Extending the Applicability of the ANI Deep Learning Molecular Potential to Sulfur and Halogens

Posted

Feb 07, 2020

10.26434/chemrxiv.11819268.v1

Xiao-Xu Wang, Xi Lu, Shi-Jiang He, Yao Fu

Nickel-Catalyzed Three-Component Olefin Reductive Dicarbofunctionalization to Access Highly Functionalized Alkylborates

Posted

Feb 07, 2020

10.26434/chemrxiv.11821341.v1

Konstantin Khivantsev, Nicholas R. Jaegers, Libor Kovarik, Meng Wang, Jian Zhi Hu, Yong Wang, Miroslaw A. Derewinski, János Szanyi

The Superior Hydrothermal Stability of Pd/SSZ-39 in Low Temperature Passive NOx Adsorption (PNA) and Methane Combustion

Posted

Feb 07, 2020

10.26434/chemrxiv.11821347.v1

Prashun Gorai, Alex Ganose, Alireza Faghaninia, Anubhav Jain, Vladan Stevanovic

Computational Discovery of Promising New n-type Dopable ABX Zintl Thermoelectric Materials

Posted

Feb 07, 2020

10.26434/chemrxiv.11821497.v1

Miriam Velasquez, Efwita Astria, Sarah Winkler, Weibin Liang, Heinz Amenitsch, Arpita Poddar, Ravi Shukla, Glenn Prestwich, John Paderi, Christian Doonan, paolo falcaro

Modulation of Metal-Azolate Frameworks for the Tunable Release of Encapsulated Glycosaminoglycans

Posted

Feb 07, 2020

10.26434/chemrxiv.11821731.v1

Lisa Marie Kammer, Matthias Krumb, Benjamin Spitzbarth, Benjamin Lipp, Jonas Kühlborn, Jonas Busold, Olga Mulina, Alexander O. Terent’ev, Till Opatz

A Photoredox-Catalyzed Four Component Reaction for the Atom-Efficient Synthesis of Complex Secondary Amines

Posted

Feb 07, 2020

10.26434/chemrxiv.11811927.v1

Amanda Acevedo-Jake, Andrew Ball, marzia Galli, Mikiembo Kukwikila, mathieu denis, Daniel Singleton, ali tavassoli, Stephen Goldup

AT-CuAAC Synthesis of Mechanically Interlocked Oligonucleotides

Posted

Feb 07, 2020

10.26434/chemrxiv.11822289.v1

Pranav Pathak, Evans C. Coutinho, Krishnapriya Mohanraj, Elvis Martis, Vikalp Jain

Chromatographic and Computational Studies on the Chiral Recognition of Sulfated β-Cyclodextrin on Enantiomeric Separation of Milnacipran

Posted

Feb 10, 2020

10.26434/chemrxiv.11726196.v2

Energy

Ouissam El Bakouri, Joshua R. Smith, Henrik Ottosson

Strategies for Design of Potential Singlet Fission Chromophores Utilizing a Combination of Ground State and Excited State Aromaticity Rules

Posted

Feb 10, 2020

10.26434/chemrxiv.10318043.v2

10.26434/chemrxiv.11618127.v2

Locating Conical Intersections Using the Quasidegenerate Partially and Strongly Contracted NEVPT2 Methods

Yoshio Nishimoto

Posted

Feb 10, 2020

Sreerangappa Ramesh, Makhlouf Amoura, Damien Debecker

Highly Basic Solid Catalyst Obtained by Spray Drying of a NaAlO2 and Boehmite Suspension for the Upgrading of Glycerol to Acetins

Posted

Feb 10, 2020

10.26434/chemrxiv.11826771.v1

Niamh Mac Fhionnlaoich, Stefan Guldin

Information Entropy as a Reliable Measure of Nanoparticle Dispersity

Posted

Feb 10, 2020

10.26434/chemrxiv.11826840.v1

Qing Wan, Rongyuan Zhang, Zeyan Zhuang, Yuxuan Li, Zhiming Wang, Weijie Zhang, Jianquan Hou, Ben Zhong Tang

Molecular Engineering for Boosting AIE-active Free Radical Photogenerator and Its High-performance in Hypoxia via Photodynamic Therapy

Posted

Feb 10, 2020

10.26434/chemrxiv.11826843.v1

Yang Zhang, Abhijeet Chaudhari, Mario Gutierrez, Jin-Chong Tan

Multichromic Metal-Organic Framework for Multimode Photonic Sensing

Posted

Feb 10, 2020

10.26434/chemrxiv.11828640.v1

Barbara Souza, Annika Moslein, Kirill Titov, James D. Taylor, Svemir Rudic, Jin-Chong Tan

Green Reconstruction of MIL-100 (Fe) in Water for High Crystallinity and Enhanced Guest Encapsulation

Posted

Feb 10, 2020

10.26434/chemrxiv.11828673.v1

Jayesh Arun Bafna, Eulàlia Sans-Serramitjana, Silvia Acosta-Gutiérrez, Igor Bodrenko, Daniel Hörömpöli, Anne Berscheid, Heike Brötz-Oesterhelt, Mathias Winterhalter, Matteo Ceccarelli

Kanamycin Uptake into E. Coli Is Facilitated by OmpF and OmpC Porin Channels Located in the Outer Membrane

Posted

Feb 10, 2020

10.26434/chemrxiv.11823552.v1

Thomas FitzSimons, Felicia Oentoro, Tej V. Shanbhag, Eric Anslyn, Adrianne Rosales

Preferential Control of Forward Reaction Kinetics in Hydrogels Crosslinked with Reversible Conjugate Additions

Posted

Feb 10, 2020

10.26434/chemrxiv.11823684.v1

Yogesh Gangarde, Sajeev T K, Nihar Panigrahi, Ram Mishra, Ishu Saraogi

Amphiphilic Small Molecule Assemblies to Enhance the Solubility and Stability of Hydrophobic Drugs

Posted

Feb 10, 2020

10.26434/chemrxiv.11825136.v1

Bryan G. Salazar, Hanwen Liu, Amy V. Walker, Lisa McElwee-White

Low Temperature Platinum Chemical Vapor Deposition on Functionalized Self-Assembled Monolayers

Posted

Feb 10, 2020

10.26434/chemrxiv.11825826.v1

Michael Mazzotta, Matthew R. McIlvin, Mak A. Saito

Characterization of the Fe Metalloproteome of a Ubiquitous Marine Heterotroph, Pseudoalteromonas (BB2-AT2): Multiple Bacterioferritin Copies Enable Significant Fe Storage

Posted

Feb 10, 2020

10.26434/chemrxiv.11825958.v1

Shigeru Yamago, Yangtian Lu

Synthesis of Structurally Controlled, Highly Branched Polymethacrylates) by Radical Polymerization Through the Design of a Monomer Having Hierarchical Reactivity

Posted

Feb 10, 2020

10.26434/chemrxiv.11826678.v1

Phani Ghanakota, Pieter Bos, Kyle Konze, Joshua Staker, Gabriel Marques, Kyle Marshall, Karl Leswing, Robert Abel, SATHESH BHAT

Combining Cloud-Based Free Energy Calculations, Synthetically Aware Enumerations and Goal-Directed Generative Machine Learning for Rapid Large-Scale Chemical Exploration and Optimization

Posted

Feb 10, 2020

10.26434/chemrxiv.11825679.v1

Adil Alkas, Laurine E. S. Friche, Shikeale N. Harris, Shane G. Telfer

Elimination of Ethylene from Cyclobutyl Groups Characterised by X-ray Crystallography in a Metal-Organic Framework Matrix

Posted

Feb 11, 2020

10.26434/chemrxiv.11828928.v1

Luzia S. Germann, Mihails Arhangelskis, Robin Stein, Martin Etter, Robert E. Dinnebier, Tomislav Friscic

Profound Effect of the Milling Assembly on Polymorphism in Mechanochemical Cocrystallization

Posted

Feb 11, 2020

10.26434/chemrxiv.11829414.v1

Konstantin Khivantsev, Nicholas R. Jaegers, Ja-Hun Kwak, János Szanyi, Libor Kovarik

Precise Identification and Characterization of Catalytically Active Sites on the Surface of γ-Alumina

Posted

Feb 11, 2020

10.26434/chemrxiv.11829576.v1

yasmeen bakhatan, Israel Alshanski, Dana Grunhaus, Mattan Hurevich

The Breaking Beads Approach for Photocleavage from Solid Support

Posted

Feb 11, 2020

10.26434/chemrxiv.11829642.v1

Yulong Shi, Xinben Zhang, Kaijie Mu, Cheng Peng, Zhengdan Zhu, Xiaoyu Wang, Yanqing Yang, Zhijian Xu, weiliang zhu

D3Targets-2019-nCoV: A Web Server to Identify Potential Targets for Antivirals Against 2019-nCoV

Posted

Feb 11, 2020

10.26434/chemrxiv.11831163.v1

Solaire Finkenstaedt-Quinn, Field M. Watts, Michael N. Petterson, Sabrina R. Archer, Emma P. Snyder-White, Ginger V. Shultz

Exploring Student Thinking About Addition Reactions

Posted

Feb 11, 2020

10.26434/chemrxiv.11808612.v1

Marc R. Becker, Emily R. Wearing, Corinna Schindler

Synthesis of Azetidines via Visible Light-Mediated Intermolecular [2+2] Photocycloaddition

Posted

Feb 11, 2020

10.26434/chemrxiv.11832993.v1

Nina Hartrampf, Azin Saebi, Mackenzie Poskus, Zachary P. Gates, Alexander J. Callahan, Amanda E. Cowfer, Stephanie Hanna, Sarah Antilla, Carly K. Schissel, Anthony J. Quartararo, Xiyun Ye, Alexander J. Mijalis, Mark D. Simon, Andrei Loas, Shunying Liu, Carsten Jessen, Thomas E. Nielsen, Bradley L. Pentelute

Synthesis of Proteins by Automated Flow Chemistry

Posted

Feb 11, 2020

10.26434/chemrxiv.11833503.v1

Richard Whitfield, Kostas Parkatzidis, Nghia Truong, Tanja Junkers, Athina Anastasaki

Tailoring Polymer Dispersity by Controlled Radical Polymerization: A Versatile Approach

Posted

Feb 12, 2020

10.26434/chemrxiv.11836137.v1

Örjan Danielsson, Matts Karlsson, Pitsiri Sukkaew, Henrik Pedersen, Lars Ojamäe

A Systematic Method for Predictive in-silico Chemical Vapour Deposition

Posted

Feb 12, 2020

10.26434/chemrxiv.9943964.v2

Kevin Yang, Wengong Jin, Kyle Swanson, Regina Barzilay, Tommi S Jaakkola

Improving Molecular Design by Stochastic Iterative Target Augmentation

Posted

Feb 12, 2020

10.26434/chemrxiv.11839230.v1

Chemical Engineering and Industrial Chemistry

Jiaji Guo, Zachary D. Tucker, Yu Wang, Brandon L. Ashfeld, Tengfei Luo

Task-Specific Ionic Liquid Enables Highly Efficient Low Temperature Desalination by Directional Solvent Extraction

Posted

Feb 12, 2020

10.26434/chemrxiv.11840025.v1

Chemical Engineering and Industrial Chemistry

Jiaji Guo, Shirui Luo, Zeyu Liu, Tengfei Luo

Direct Arsenic Removal from Water Using Non-Membrane, Low Temperature Directional Solvent Extraction

Posted

Feb 12, 2020

10.26434/chemrxiv.11841141.v1

Alison Ryder, William Cunningham, George Ballantyne, Tom Mules, Anna Kinsella, Jacob Turner-Dore, Catherine Alder, Lee Edwards, Blandine McKay, Matthew Grayson, Alex Cresswell

Unmasked Primary Amines as C-Nucleophiles for Catalytic C–C Bond-Formation

Posted

Feb 12, 2020

10.26434/chemrxiv.11841489.v1

Simon Tang, Davide Cardella, Alexander J. Lander, Xuefei Li, Yu-Hsuan Tsai, Louis YP Luk

Use of an Asparaginyl Endopeptidase for Chemo-enzymatic Peptide and Protein Labeling

Posted

Feb 13, 2020

10.26434/chemrxiv.9633032.v2

Jingkun Li, Moulay-Tahar Sougrati, andrea Zitolo, James Ablett, ismail can oguz, Tzonka Mineva, ivana matanovic, plamen atanassov, andrea di cicco, Kavita Kumar, Laetitia Dubau, frédéric maillard, Frederic Jaouen

Identification of Durable and Non-Durable FeNx Sites in Fe-N-C Materials for Proton Exchange Membrane Fuel Cells

Posted

Feb 13, 2020

10.26434/chemrxiv.11842431.v1

Sophya Alamudun, Kyle Tanovitz, April Fajardo, Kaitlind Johnson, Andy Pham, Tina Jamshidi Araghi, Andrew Petit

Structure-Photochemical Function Relationships in Nitrogen-Containing Heterocyclic Aromatic Photobases Derived from Quinoline

Posted

Feb 13, 2020

10.26434/chemrxiv.11312642.v2

Grigorii Skorupskii, Mircea Dinca

Electrical Conductivity in a Porous, Cubic Rare-Earth Catecholate

Posted

Feb 13, 2020

10.26434/chemrxiv.11843922.v1

Shatadru Chakravarty, Jeremy Hix, Kaitlyn Wieweora, Maximilian Volk, Elizabeth Kenyon, Dorela D. Shuboni-Mulligan, Barbara Blanco-Fernandez, Matti Kiupel, Jennifer Thomas, Lorenzo F. Sempere, Erik Shapiro

Tantalum Oxide Nanoparticles as Versatile Contrast Agents for X-ray Computed Tomography

Posted

Feb 13, 2020

10.26434/chemrxiv.11845572.v1

10.26434/chemrxiv.11847381.v1

Virtual Screening of an FDA Approved Drugs Database on Two COVID-19 Coronavirus Proteins

Alessandro Contini

Posted

Feb 13, 2020

Nadeema Appukutti, Joseph Jones, Christopher Serpell

Sequence Isomerism in Uniform Polyphosphoesters Programmes Self-Assembly and Folding

Posted

Feb 14, 2020

10.26434/chemrxiv.7666316.v2

Michael O'Hagan, Javier Ramos Soriano, Susanta Haldar, Juan Carlos Morales, Adrian Mulholland, M. Carmen Galan

Visible-Light Photoswitching of G-Quadruplex Ligand Binding Mode Allows Reversible Control of G-Tetrad Structure

Posted

Feb 14, 2020

10.26434/chemrxiv.11845272.v2

Energy

Saneyuki Ohno, Tim Bernges, Johannes Buchheim, Marc Duchardt, Anna-Katharina Hatz, Marvin Kraft, Hiram Kwak, A. L. Santhosha, Zhantao Liu, Nicolo Minafra, Fumika Tsuji, Atsushi Sakuda, Roman Schlem, Shan Xiong, Zhenggang Zhang, Philipp Adelhelm, Hailong Chen, Akitoshi Hayashi, Yoon Seok Jung, Bettina Lotsch, Bernhard Roling, Nella Vargas, Wolfgang Zeier

How Certain Are the Reported Ionic Conductivities of Thiophosphate-Based Solid Electrolytes? an Interlaboratory Study

Posted

Feb 14, 2020

10.26434/chemrxiv.11316497.v2

Pedro Vásquez-Ocmín, Jean-François Gallard, Anne-Cécile Van Baelen, Karine Leblanc, Sandrine Cojean, Elizabeth Mouray, Philippe Grellier, Carlos Amasifuén, Guillaume Bernadat, Laurent Evanno, Bruno Figadère, Alexandre Maciuk

Antiplasmodial Biodereplication Based on Highly Efficient Methods

Posted

Feb 14, 2020

10.26434/chemrxiv.11828802.v1

Patrick Schmidt, Philipp Schneiderhan, Markus Ströbele, Carl P. Romao, H.-Jürgen Meyer

Reversible Iodine Intercalation into Tungsten Ditelluride

Posted

Feb 14, 2020

10.26434/chemrxiv.11848968.v1

Colin Grambow, Lagnajit Pattanaik, William H. Green

Deep Learning of Activation Energies

Posted

Feb 14, 2020

10.26434/chemrxiv.11852166.v1

Michael Thorne, Laura Rios, Alice Bumstead, Shichun Li, Thomas Bennett

Mechanochemical Synthesis of Mixed Metal, Mixed Linker GlassForming Metal–Organic Frameworks

Posted

Feb 14, 2020

10.26434/chemrxiv.11852232.v1

Ya Chen, Neann Mathai, Johannes Kirchmair

Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands

Posted

Feb 14, 2020

10.26434/chemrxiv.11852241.v1

Alexander Amatuni, Anton Shuster, Alexander Adibekian, Hans Renata

Concise Chemoenzymatic Total Synthesis and Identification of Cellular Targets of Cepafungin I

Posted

Feb 14, 2020

10.26434/chemrxiv.11852496.v1

Alok Shaurya, Graham A. E. Garnett, Melissa J. Starke, Mark C. Grasdal, Charlotte C. Dewar, Aman K. Dheri, Euan L.S. Thomson, Fraser Hof

Selective Binding of a Lower Lysine Methylation State: An N,N-Dimethyllysine Selective Host Molecule and Its Use in Methyl Proteomics

Posted

Feb 14, 2020

10.26434/chemrxiv.11852529.v1

Dmitry Lebedev, Roman Ezhov Ezhov, Javier Heras-Domingo, Aleix Comas Vives, Nicolas Kaeffer, Marc Willinger, Xavier Solans-Monfort, Huang Xing, Yulia Pushkar, Christophe Copéret

Atomically-Dispersed Iridium on Indium Tin Oxide Efficiently Catalyzes Water Splitting

Posted

Feb 14, 2020

10.26434/chemrxiv.11852643.v1

Soumi Haldar, Achintya Kumar Dutta

A Multi-Layer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity

Posted

Feb 17, 2020

10.26434/chemrxiv.11853399.v1

Anderson Fiamingo, Sergio Paulo Campana Filho, Osvaldo Novais Oliveira Junior

Tuning the Properties of High Molecular Weight Chitosans to Develop Full Water Solubility Within a Wide pH Range

Posted

Feb 17, 2020

10.26434/chemrxiv.11854293.v1

Dávid Földes, Éva Kováts, Gábor Bortel, Szilvia Klébert, Emma Jakab, Sándor Pekker

Basic Zinc Cubane-1,4-Dicarboxylate: A New MOF-5 Analogous with High Porosity and Robust Dynamics

Posted

Feb 17, 2020

10.26434/chemrxiv.11854389.v1

Sam Cobb, Fraser Laidlaw, Geoff West, Georgia Wood, Mark Newton, Richard Beanland, Julie Macpherson

Assessment of Acid and Thermal Oxidation Treatments for Removing Sp2 Bonded Carbon from the Surface of Boron Doped Diamond

Posted

Feb 17, 2020

10.26434/chemrxiv.11854629.v1

Jacob A. Berenbeim, Natalie Wong, Martin C. R. Cockett, Giel Berden, Jos Oomens, Anouk Rijs, Caroline E. H. Dessent

Unravelling the Keto-Enol Tautomer Dependent Photochemistry and Degradation Pathways of the Protonated UVA Filter Avobenzone

Posted

Feb 17, 2020

10.26434/chemrxiv.11855031.v1

Riccardo Zaffaroni, Eduard.O. Bobylev, Plessius, Raoul, Jarl Ivar van der Vlugt, Joost reek

How to Control the Rate of Heterogeneous Electron Transfer Across the Rim of M6L12 and M12L24 Nanospheres

Posted

Feb 17, 2020

10.26434/chemrxiv.11855469.v1

Alyxandra Thiessen, Lijuan Zhang, Anton Oliynyk, Haoyang Yu, Kevin O'Connor, Alkiviathes Meldrum, Jonathan G.C. Veinot

A Tale of Seemingly “Identical” Silicon Quantum Dot Families: Structural Insight into Silicon Quantum Dot Photoluminescence

Posted

Feb 17, 2020

10.26434/chemrxiv.11852040.v2

Nicholas Marshall, Andres Rodriguez

Cross-Coupling Polymerization at Iodophenyl Thin Films Prepared by Spontaneous Grafting of a Diazonium Salt

Posted

Feb 17, 2020

10.26434/chemrxiv.11388678.v2

Yu Wai Chen, Chin-Pang Yiu, Kwok-Yin Wong

Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like Protease (3CLpro) Structure: Virtual Screening Reveals Velpatasvir, Ledipasvir, and Other Drug Repurposing Candidates

Posted

Feb 17, 2020

10.26434/chemrxiv.11831103.v2

Brian Nguyen, Guo P Chen, Matthew M. Agee, Asbjörn M. Burow, Matthew Tang, Filipp Furche

Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules

Posted

Feb 17, 2020

10.26434/chemrxiv.11124251.v2

RALM RICARTE, François Tournilhac, Michel Cloître, Ludwik Leibler

Linear Viscoelasticity and Flow of Self-Assembled Vitrimers: The Case of a Polyethylene/dioxaborolane System

Posted

Feb 18, 2020

10.26434/chemrxiv.10315427.v3

Justin Lange, Fabiola Djago, Balkis Eddhif, Quentin Blancart Remaury, Alexander Ruf, Nathalie Karpel Vel Leitner, Louis Le Sergeant d'Hendecourt, Grégoire Danger, Claude Geffroy Rodier, Sébastien Papot, Pauline poinot

Evidence for Proteogenic Peptide-like Sequences in Meteorites Through an Enzyme-Catalysed Stereoselective Hydrolysis Strategy

Posted

Feb 18, 2020

10.26434/chemrxiv.11855856.v1

Yongjun ZHENG, Zhenqiang Ning, Deng Pan, Dan Han, Yuan Xu, Songqin Liu, Yanfei Shen, Yuanjian Zhang

Electrochemiluminescent Detection of hNQO1 and Associated Drug Screening Enabled by Futile Redox Cycle Reaction

Posted

Feb 18, 2020

10.26434/chemrxiv.11852763.v1

Guy Lamoureux, Carlos Árias-Alvarez

Grids to Illustrate Induction and Resonance Effects: Electrophilic Aromatic Substitution

Posted

Feb 18, 2020

10.26434/chemrxiv.11856015.v1

Guy Lamoureux, Carlos Árias-Alvarez

Grids to Illustrate Induction and Resonance Effects: Aromatic Acidity and Basicity

Posted

Feb 18, 2020

10.26434/chemrxiv.11856036.v1

Rimsha Mehmood, Heather Kulik

Both Configuration and QM Region Size Matter: Zinc Stability in QM/MM Models of DNA Methyltransferase

Posted

Feb 18, 2020

10.26434/chemrxiv.11857668.v1

Organometallic Chemistry

Kiron Kumar Ghosh, Alexander Uttry, Francesca Ghiringhelli, Arup Mondal, Manuel van Gemmeren

Ligand-Enabled γ-C(sp3)–H Olefination of Free Carboxylic Acids

Posted

Feb 18, 2020

10.26434/chemrxiv.11857857.v1

Reginald Mills, John. J. Monteith, Sophie Rousseaux

The Cyclopropane Ring as a Reporter of Radical Leaving-Group Reactivity for Ni-Catalyzed C(sp3)–O Arylation

Posted

Feb 18, 2020

10.26434/chemrxiv.11857905.v1

Kyle Niederer, Philip H. Gilmartin, Marisa Kozlowski

Oxidative Photocatalytic Homo- and Cross-Coupling of Phenols: Non-Enzymatic, Catalytic Method for Coupling Tyrosine

Posted

Feb 18, 2020

10.26434/chemrxiv.11813403.v1

Mary E. Anderson, Michael B. Marks, Thomas Cundari

Bifunctional Activation of Methane by Bioinspired Transition Metal Complexes. A Simple Methane Protease Model

Posted

Feb 18, 2020

10.26434/chemrxiv.11858013.v1

Balázs Kozma, Attila Tajti, Baptiste Demoulin, Róbert Izsák, Marcel Nooijen, Péter Szalay

A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled-Cluster Type Methods

Posted

Feb 18, 2020

10.26434/chemrxiv.11858010.v1

Alessandro Soncini, MATTEO PICCARDO

Ab Initio Non-Covalent Crystal Field Theory for Lanthanide Complexes: A Multiconfigurational Non-Orthogonal Group Functions Approach

Posted

Feb 18, 2020

10.26434/chemrxiv.11858346.v1

Shashank Vittal Rao, MATTEO PICCARDO, Alessandro Soncini

Spin-Orbit Coupling Descriptions of Magnetic Excitations in Lanthanide Complexes

Posted

Feb 18, 2020

10.26434/chemrxiv.11858370.v1

Marianne Piochon, Pauline M. L. Coulon, Armand Caulet, Marie-Christine Groleau, Eric Déziel, Charles Gauthier

Synthesis and Antimicrobial Activity of Burkholderia-Related 4-Hydroxy-3-Methyl-2-Alkenylquinolones (HMAQs) and Their N-Oxide Counterparts

Posted

Feb 19, 2020

10.26434/chemrxiv.11859144.v1

Nanna Holmgaard List, Adrian L. Dempwolff, Andreas Dreuw, Patrick Norman, Todd J. Martínez

Probing Competing Relaxation Pathways in Malonaldehyde with Transient X-Ray Absorption Spectroscopy

Posted

Feb 19, 2020

10.26434/chemrxiv.11859183.v1

Ryosuke Kojima, Shoichi Ishida, Masateru Ohta, Hiroaki Iwata, Teruki Honma, Yasushi Okuno

kGCN: A Graph-Based Deep Learning Framework for Chemical Structures

Posted

Feb 19, 2020

10.26434/chemrxiv.11859684.v1

Ian Colliard, Gregory Morrosin, Hans-Conrad zur Loye, May Nyman

Supramolecular Assembly of U(IV) Clusters and Superatoms

Posted

Feb 19, 2020

10.26434/chemrxiv.11860065.v1

Anh-Tien Ton, Francesco Gentile, Michael Hsing, Fuqiang Ban, Artem Cherkasov

Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds

Posted

Feb 19, 2020

10.26434/chemrxiv.11860077.v1

Mohamed El-Tholoth, Haim H. Bau, Jinzhao Song

A Single and Two-Stage, Closed-Tube, Molecular Test for the 2019 Novel Coronavirus (COVID-19) at Home, Clinic, and Points of Entry

Posted

Feb 19, 2020

10.26434/chemrxiv.11860137.v1

Huawu Yin, Yen-Hua Huang, Kirsten Deprey, Nicholas Condon, Joshua Kritzer, David Craik, Conan Wang

Cellular Uptake and Cytosolic Delivery of a Cyclic Cystine Knot Scaffold

Posted

Feb 19, 2020

10.26434/chemrxiv.11860155.v1

Justin P. Cole, Dian-Feng Chen, Max Kudisch, Ryan M. Pearson, Chern-Hooi Lim, Garret Miyake

Organocatalyzed Birch Reduction Driven by Visible Light

Posted

Feb 19, 2020

10.26434/chemrxiv.11860221.v1

Julia Guzy, Shatadru Chakravarty, Foster Buchanan, Haoran Chen, Jeffrey M. Gaudet, Jeremy Hix, Christiane L. Mallett, Erik Shapiro

Complex Relationship Between Signal Intensity Properties in Magnetic Particle Imaging (MPI) and Iron Oxide Nanoparticle Degradation

Posted

Feb 19, 2020

10.26434/chemrxiv.11845584.v2

Alex Zhavoronkov, Vladimir Aladinskiy, Alexander Zhebrak, Bogdan Zagribelnyy, Victor Terentiev, Dmitry S. Bezrukov, Daniil Polykovskiy, Rim Shayakhmetov, Andrey Filimonov, Philipp Orekhov, Yilin Yan, Olga Popova, Quentin Vanhaelen, Alex Aliper, Yan Ivanenkov

Potential COVID-2019 3C-like Protease Inhibitors Designed Using Generative Deep Learning Approaches

Posted

Feb 19, 2020

10.26434/chemrxiv.11829102.v2

Edgar Gonzalez-Rodriguez, Miguel A. Abdo, Gabriel dos Passos Gomes, Suliman Ayad, Frankie D. White, Nikolay P. Tsvetkov, Kenneth Hanson, Igor Alabugin

Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne peri-Annulations: Radical Cascades Converging on the Same Aromatic Core

Posted

Feb 19, 2020

10.26434/chemrxiv.11860245.v1

Joseph H. Montoya, Kirsten Winther, Raul A. Flores, Thomas Bligaard, Jens Strabo Hummelshøj, Muratahan Aykol

Autonomous Intelligent Agents for Accelerated Materials Discovery

Posted

Feb 19, 2020

10.26434/chemrxiv.11860104.v1

Marcus Knappert, Howard Colquhoun

Sequence-Modification in Copoly(ester-Imide)s: A Catalytic/supramolecular Approach to Writing/reading Copolymer Sequence-Information

Posted

Feb 19, 2020

10.26434/chemrxiv.11860881.v1

Evgeniy Gromov, Tatiana Domratcheva

Four Resonance Structures Elucidate Double-Bond Isomerisation of a Biological Chromophore

Posted

Feb 19, 2020

10.26434/chemrxiv.11861580.v1

michael guillot, josephine demeester, sarah huynen, laurent collard, koen robeyns, olivier riant, Tom Leyssens

Co-Crystallization Induced Spontaneous Deracemization: A General Innovative Thermodynamic Approach to Deracemization.

Posted

Feb 19, 2020

10.26434/chemrxiv.11861274.v1

Hajer Abdelkafi, Aurélien Michau, Valérie Pons, Flora Ngadjeua, Alexandra Clerget, Lilia Ait Ouarab, David-Alexandre Buisson, Lucie Caramelle, Daniel Gillet, Julien Barbier, Jean-Christophe Cintrat

Structure-Activity Relationship Studies of Retro-1 Analogues Against Shiga Toxin

Posted

Feb 20, 2020

10.26434/chemrxiv.11860707.v1

Ashley Hastings, Debmalya Ray, WooSeok Jeong, Laura Gagliardi, Omar K. Farha, Amy Hixon

Advancement of Actinide Metal-Organic Framework Chemistry via Synthesis of Pu-UiO-66

Posted

Feb 20, 2020

10.26434/chemrxiv.11862243.v1

Sathsara Egalahewa, Antonino Aprile, Jason Dutton

Reactions of PhIX2 I(III) Oxidants with Heavy Triphenyl Pnictines

Posted

Feb 20, 2020

10.26434/chemrxiv.11862669.v1

Emer Foyle, Nicholas White

Anion Templated Crystal Engineering of Halogen Bonding Tripodal Tris(halopyridinium) Compounds

Posted

Feb 20, 2020

10.26434/chemrxiv.11862900.v1

Ling Liu, Sainan Li, Runze Sun, Xiangjing Qin, Jianhua Ju, Changsheng Zhang, Yanwen Duan, Yong Huang

Coordinated Action of NRPS, Baeyer-Villiger Monooxygenase, and Methyltransferase Ensures the Economical Biosynthesis of Bohemamines in Streptomyces sp. CB02009

Posted

Feb 20, 2020

10.26434/chemrxiv.11687139.v1

Clement Dalinot, Pablo Simon Marques, Jose Maria Andrés Castán, Pierre Josse, Magali Allain, Laura Abad Galan, Cyrille Monnereau, Olivier MAURY, Philippe Blanchard, Clement Cabanetos

Regioselective Mono and Homo/hetero Dihalogenation of the Benzothioxanthene Monoimide

Posted

Feb 20, 2020

10.26434/chemrxiv.11865765.v1

Thomas Herzog, Naomi Weitzel, Sebastian Polarz

Functional Gradient Transparent Conducting Oxide Nanowire Arrays as Monophasic Schottky-Barrier Free Memristors for Bipolar Linear Switching

Posted

Feb 20, 2020

10.26434/chemrxiv.11866062.v1

Michelina Soccio, Nadia Lotti, Andrea Munari, Esther Rebollar, Daniel E Martínez-Tong

Wrinkling Poly(trimethylene 2,5-Furanoate) Free-standing Films: Nanostructure Formation and Physical Properties

Posted

Feb 20, 2020

10.26434/chemrxiv.11867205.v1

Matthias Jender, Pedro Novo, Dominic Maehler, Ute Münchberg, Dirk Janasek, Erik Freier

Multiplexed Online-Monitoring of Microfluidic Free-Flow Electrophoresis via Mass Spectrometry

Posted

Feb 20, 2020

10.26434/chemrxiv.11848422.v2

Rimanshee Arya, Amit Das, Vishal Prashar, Mukesh Kumar

Potential inhibitors against papain-like protease of novel coronavirus (SARS-CoV-2) from FDA approved drugs

Posted

Feb 20, 2020

10.26434/chemrxiv.11860011.v2

Yujie Tu, Yeqing Yu, Diwen Xiao, Junkai Liu, zheng zhao, zhiyang liu, Jacky W. Y. Lam, Ben Zhong Tang

An Intelligent AIEgen with Nonmonotonic Multi-Responses to Multi-Stimuli

Posted

Feb 20, 2020

10.26434/chemrxiv.11861124.v2

Olivier Charles Gagné, Frank Christopher Hawthorne

Bond-Length Distributions for Ions Bonded to Oxygen: Results for the Transition Metals and Quantification of the Factors Underlying Bond-Length Variation in Inorganic Solids

Posted

Feb 20, 2020

10.26434/chemrxiv.11605698.v2

Ajay Tripathi, Rajesh Rawat, Archana Tiwari

Paper-Based Low Cost Optical Filter

Posted

Feb 20, 2020

10.26434/chemrxiv.11535027.v2

Nicholas Singstock, Christopher Bartel, Aaron M. Holder, Charles B. Musgrave

High-Throughput Analysis of Materials for Chemical Looping Processes

Posted

Feb 20, 2020

10.26434/chemrxiv.11872527.v1

M. Zhou, J.I. van der Vlugt, Bas de Bruin

Catalytic Synthesis of 8-Membered Ring Compounds via Cobalt(III)-Carbene Radicals

Posted

Feb 20, 2020

10.26434/chemrxiv.11871501.v1

Rianne E. van Outersterp, Jonathan Martens, Giel Berden, Valerie Koppen, Filip Cuyckens, Jos Oomens

Mass Spectrometry-Based Identification of Ortho-, Meta- and Paraisomers Using Infrared Ion Spectroscopy

Posted

Feb 20, 2020

10.26434/chemrxiv.11871837.v1

Emma Giakoumatos, Antonio Aloi, Ilja Voets

Illuminating the Impact of Nanoparticle Size and Surface Chemistry on Interfacial Position

Posted

Feb 20, 2020

10.26434/chemrxiv.11872245.v1

Steven Torrisi, Matthew Carbone, Brian Rohr, Joseph H. Montoya, Yang Ha, Junko Yano, Santosh Suram, Linda Hung

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Posted

Feb 20, 2020

10.26434/chemrxiv.11873691.v1

Chemical Engineering and Industrial Chemistry

Simone Tortoioli, Astrid Friedli, Alice Prud’homme, Sylvia Richard-Bildstein, Philipp Kohler, Stefan Abele, Gianvito Vilé

Development of an Efficient and Sustainable Synthesis of 2-(3-Methyl-1H-1,2,4-Triazol-1-Yl) Acetic Acid Under Continuous-Flow Conditions

Posted

Feb 20, 2020

10.26434/chemrxiv.11873988.v1

Klaudia Szeler, Nicholas Williams, Alvan C. Hengge, Shina Caroline Lynn Kamerlin

Modeling the Alkaline Hydrolysis of Diaryl Sulfate Diesters: A Mechanistic Study

Posted

Feb 20, 2020

10.26434/chemrxiv.11874072.v1

Michael Taylor, Tzuhsiung Yang, Sean Lin, Aditya Nandy, Jon Paul Janet, Chenru Duan, Heather Kulik

Seeing is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

Posted

Feb 21, 2020

10.26434/chemrxiv.11874735.v1

Ryther Anderson, Diego Gómez-Gualdrón

Large-Scale Free Energy Calculations on a Computational MOF Database: Toward Synthetic Likelihood Predictions

Posted

Feb 21, 2020

10.26434/chemrxiv.11874816.v1

10.26434/chemrxiv.11875446.v1

Fast Identification of Possible Drug Treatment of Coronavirus Disease -19 (COVID-19) Through Computational Drug Repurposing Study

Junmei Wang

Posted

Feb 21, 2020

Laden Sherpa, Ajay Tripathi, Manish K. Singh, Rajiv Mandal, Archana Tiwari

Self Assembly of Arsenic Nanoparticles into Magnetic Nanotubules and Their SERS Activity

Posted

Feb 21, 2020

10.26434/chemrxiv.11876289.v1

Marco Amores, Keisuke Wada, Ken Sakaushi, Hiroshi Nishihara

Reversible Energy Storage in Layered Copper-Based Coordination Polymers: Unveiling the Influence of the Ligand's Functional Group on Their Electrochemical Properties

Posted

Feb 21, 2020

10.26434/chemrxiv.11877042.v1

Silvia Acosta Gutiérrez, Igor Bodrenko, Matteo Ceccarelli

Permeability Through Bacterial Porins Dictates Whole Cell Compound Accumulation

Posted

Feb 21, 2020

10.26434/chemrxiv.11877834.v1

Ryan Murdock, Steven Kauwe, Anthony Wang, Taylor Sparks

Is Domain Knowledge Necessary for Machine Learning Materials Properties?

Posted

Feb 21, 2020

10.26434/chemrxiv.11879193.v1

Antoine Goujon, Lou Rocard, Thomas Cauchy, Piétrick Hudhomme

An Efficient Imine Photocyclization as an Alternative to the Pictet-Spengler Reaction for the Synthesis of AzaBenzannulated Perylenediimide Dyes

Posted

Feb 21, 2020

10.26434/chemrxiv.11878086.v1

Wen-Yang Gao, Aishanee Sur, Chen-Hao Wang, Gregory R. Lorzing, Alexandra M. Antonio, Andrew A. Ezazi, Nattamai Bhuvanesh, Eric D. Bloch, David Powers

Atomically Precise Crystalline Materials Based on Kinetically Inert Metal Ions via Reticular Mechanopolymerization

Posted

Feb 21, 2020

10.26434/chemrxiv.11879304.v1

Antti Pihlajamaki, Joonas Hamalainen, Joakim Linja, Paavo Nieminen, Sami Malola, Tommi Karkkainen, Hannu Hakkinen

Monte Carlo Simulations of Au38(SCH3)24 Nanocluster Using Distance-Based Machine Learning Methods

Posted

Feb 21, 2020

10.26434/chemrxiv.11880888.v1

Florencia Klein, Daniela Cáceres-Rojas, Monica Carrasco, Juan Carlos Tapia, Julio Caballero, Jans Alzate-Morales, Sergio Pantano

Parameterization of Divalent Cations for Coarse-Grained Simulations

Posted

Feb 24, 2020

10.26434/chemrxiv.11881716.v1

Jumi Shin, Ichiro Inamoto, Inder Sheoran, Serban Popa, Montdher Hussain

Combining Rational Design and Continuous Evolution on Minimalist Proteins That Target DNA

Posted

Feb 24, 2020

10.26434/chemrxiv.11882142.v1

Ahmed Mouchfiq, Tanya K. Todorova, Subal Dey, Marc Fontecave, Victor Mougel

A Bioinspired Molybdenum-Copper Molecular Catalyst for CO2 Electroreduction

Posted

Feb 24, 2020

10.26434/chemrxiv.11882895.v1

Thaksen Jadhav, Yuan Fang, Cheng-Hao Liu, Afshin Dadvand, Ehsan Hamzehpoor, William Patterson, Antranik Jonderian, Robin Stein, Dmitrii F. Perepichka

Transformation Between 2D and 3D Covalent Organic Frameworks via Reversible [2+2] Cycloaddition

Posted

Feb 24, 2020

10.26434/chemrxiv.11886651.v1

Sepand Nistanaki, Hosea Nelson

Dewar Heterocycles as Versatile Monomers for Ring-Opening Metathesis Polymerization

Posted

Feb 24, 2020

10.26434/chemrxiv.11886792.v1

Alex L. Bagdasarian, Stasik Popov, Benjamin Wigman, Wenjing Wei, woojin lee, Hosea Nelson

Urea-Catalyzed Functionalization of Unactivated C–H Bonds

Posted

Feb 24, 2020

10.26434/chemrxiv.11886789.v1

Pengbo Han, Zeng Xu, Chengwei Lin, Dongge Ma, Anjun Qin, Ben Zhong Tang

Tetraphenylbenzene-based AIEgens: the Horizontally Oriented Emitters for highly Efficient Non-doped Deep Blue OLEDs and Host for High-Performance Hybrid WOLEDs

Posted

Feb 24, 2020

10.26434/chemrxiv.11887026.v1

Deng Pan, Zhengzou Fang, Zhenqiang Ning, Qing Zhou, Erli Yang, Kaiyang Chen, Yongjun ZHENG, Yuanjian Zhang, Yanfei Shen

Facile Preparation of WO3-x Dots with Remarkably Low Toxicity and Uncompromised Activity as Coreactants for Clinic Electrochemiluminescent Diagnosis

Posted

Feb 24, 2020

10.26434/chemrxiv.11887971.v1

Akash Bajaj, Fang Liu, Heather Kulik

Uncovering Alternate Pathways to Nafion Membrane Degradation in Fuel Cells with First-Principles Modeling

Posted

Feb 24, 2020

10.26434/chemrxiv.11888205.v1

Gabriel Freire Sanzovo Fernandes, Leonardo dos Anjos Cunha, Francisco Bolivar Correto Machado, Luiz Ferrão

The Chemical Bond Across the Periodic Table: Part 1 – First Row and Simple Metals

Posted

Feb 24, 2020

10.26434/chemrxiv.11860941.v1

Azhagiya Singam Ettayapuram Ramaprasad, Phum Tachachartvanich, Denis Fourches, Anatoly Soshilov, Jennifer C.Y. Hsieh, Michele La merrill, Martyn T. Smith, Kathleen A. Durkin

Structure-Based Virtual Screening of Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) as Endocrine Disruptors of Androgen Receptor Activity Using Molecular Docking and Machine Learning

Posted

Feb 24, 2020

10.26434/chemrxiv.11886702.v1

Yuan Xu, Jing Xue, Qing Zhou, Yongjun ZHENG, Xinghua Chen, Songqin Liu, Yanfei Shen, Yuanjian Zhang

Fe-N-C Nanozyme with Both Accelerated and Inhibited Biocatalytic Activities Capable of Accessing Drug-Drug Interaction

Posted

Feb 24, 2020

10.26434/chemrxiv.11888022.v1

Jiuwang Yu, Lu Wang, Lidao Bao

Exploring the Active Compounds of Traditional Mongolian Medicine in Intervention of Novel Coronavirus (2019-nCoV) Based on Molecular Docking Method

Posted

Feb 25, 2020

10.26434/chemrxiv.11882838.v1

Kierstyn P. Anderson, Mary A. Waddington, Gary J. Balaich, Julia M. Stauber, Justin R. Caram, Peter I. Djurovich, Alexander Spokoyny

A Molecular Boron Cluster-Based Chromophore with Dual Emission

Posted

Feb 25, 2020

10.26434/chemrxiv.11888619.v1

Rameez Jabeer Khan, Rajat Kumar Jha, Gizachew Muluneh Amera, Monika Jain, Ekampreet Singh, Amita Pathak, Rashmi Prabha Singh, Jayaraman Muthukumaran, Amit Kumar Singh

Targeting Novel Coronavirus 2019: A Systematic Drug Repurposing Approach to Identify Promising Inhibitors Against 3C-like Proteinase and 2'-O-Ribose Methyltransferase

Posted

Feb 25, 2020

10.26434/chemrxiv.11888730.v1

Richard T Bradshaw, Jacek Dziedzic, Chris-Kriton Skylaris, Jonathan W. Essex

The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?

Posted

Feb 25, 2020

10.26434/chemrxiv.11813265.v1

Zhenlin tian, Mitra Sadat Tabatabaee, Simon Edemann, Julien Gibon, Frederic Menard

Optical Control of Ca2+-Mediated Morphological Response in Glial Cells with Visible Light Using a Photocaged Kainoid

Posted

Feb 25, 2020

10.26434/chemrxiv.11888925.v1

Daniel Pope, Aurora Clark, Micah Prange, Kevin Rosso

Rethinking the Magnetic Properties of Lepidocrocite: A Density Functional Theory and Cluster Expansion Study

Posted

Feb 25, 2020

10.26434/chemrxiv.11889030.v1

Arno van der Weijden, Mitch Winkens, Sandra M. C. Schoenmakers, Wilhelm T.S. Huck, Peter A. Korevaar

Autonomous Mesoscale Positioning Emerging from Spatiotemporally Controlled Coupling Between Self-Assembly and Gradient-Driven Molecular Fluxes

Posted

Feb 25, 2020

10.26434/chemrxiv.11891268.v1

David Maria Tobaldi, Luc Lajaunie, Dana Dvoranova, Bruno Figueiredo, Maria Paula Seabra, José Calvino, Vlasta Brezova, Joao Antonio Labrincha

Cooperative and Fully Reversible Photocatalytic Colour Switching Activation in Graphene-Copper-TiO2 Nanoparticles

Posted

Feb 25, 2020

10.26434/chemrxiv.11890194.v1

Han-Li Sun, Fan Yang, Wei-Ting Ye, Jun-Jie Wang, Rong Zhu

Dual Cobalt and Photoredox Catalysis Enabled Intermolecular Oxidative Hydrofunctionalization

Posted

Feb 25, 2020

10.26434/chemrxiv.11891580.v1

Eugénie Romero, Saoussen Oueslati, Mohamed Benchekroun, Agathe C. A. D’Hollander, Sandrine Ventre, Kamsana Vijayakumar, Corinne Minard, Cynthia Exilie, Linda Tlili, Pascal Retailleau, Agustin Zavala, Eddy Elisée, Edithe Selwa, Laetitia A. Nguyen, Alain Pruvost, Thierry Naas, Bogdan I. Iorga, Robert Dodd, Kevin Cariou

Azetidinimines as a Novel Series of Non-Covalent Broad-Spectrum Inhibitors of β-Lactamases with Submicromolar Activities Against Carbapenemases of Classes A, B and D

Posted

Feb 25, 2020

10.26434/chemrxiv.11897157.v1

Laura Abad Galan, Jose Maria Andrés Castán, Clement Dalinot, Pablo Simon Marques, Philippe Blanchard, Olivier MAURY, Clement Cabanetos, Tangui Le Bahers, Cyrille Monnereau

Theoretical and Experimental Investigation on the Intersystem Crossing Kinetics in Benzothioxanthene Imide Luminophores, and Their Dependence on Substituents Effects

Posted

Feb 26, 2020

10.26434/chemrxiv.11897241.v1

Alan O'Riordan, Benjamin O'sullivan, Pierre Lovera, Ian Seymour, James Rohan

Electrochemical Detection of Free-Chlorine in Water Samples Facilitated by In-Situ pH Control Using Interdigitated Microelectrodes

Posted

Feb 26, 2020

10.26434/chemrxiv.11898126.v1

Jie Ju, Ning Hu, Dana Cairns, Haitao Liu, Brian Timko

Photo-Crosslinkable, Insulating Silk Fibroin for Bioelectronics with Enhanced Cell Affinity

Posted

Feb 26, 2020

10.26434/chemrxiv.11888202.v2

10.26434/chemrxiv.11888838.v2

On the Performances of Density Functionals for Open Shell First-Row Transition Metal Compounds

Yumiao Ma

Posted

Feb 26, 2020

Mira Flasch, Christoph Bueschl, Lydia Woelflingseder, Heidi E. Schwartz-Zimmermann, Gerhard Adam, Rainer Schuhmacher, Doris Marko, Benedikt Warth

Stable Isotope-Assisted Metabolomics for Deciphering Xenobiotic Metabolism in Mammalian Cell Culture

Posted

Feb 26, 2020

10.26434/chemrxiv.10293224.v2

Jordan Vincent, Hui Wang, Omar Nibouche, PAUL MAGUIRE

Detecting Trace Methane Levels with Plasma Optical Emission Spectroscopy and Supervised Machine Learning

Posted

Feb 26, 2020

10.26434/chemrxiv.11898363.v1

Duanyang Kong, Patrick Moon, Erica K. J. Lui, Odey Bsharat, Rylan Lundgren

Direct Reversible Decarboxylation from Stable Organic Acids in Solution

Posted

Feb 26, 2020

10.26434/chemrxiv.11899755.v1

Josh D. B. Koenig, Mahmoud E. Farahat, Jasveer S. Dhindsa, Joe Gilroy, Gregory Welch

Near-IR Absorption and Photocurrent Generation Using a First-of-Its-Kind Boron Difluoride Formazanate Non-Fullerene Acceptor

Posted

Feb 26, 2020

10.26434/chemrxiv.11899851.v1

Vincent Diemer, Nathalie Ollivier, Bérénice Leclercq, Hervé Drobecq, Jérôme Vicogne, Vangelis Agouridas, Oleg Melnyk

A Cysteine Selenosulfide Redox Switch for Protein Chemical Synthesis

Posted

Feb 26, 2020

10.26434/chemrxiv.11110133.v2

Brenden Derstine, John W. Tomlin, Cheryl Peck, Jule-Phillip Dietz, Brenden Herrera, Flavio S. P. Cardoso, Dinesh J. Paymode, Andrew C. Yue, Anthony J. Arduengo III, Till Opatz, David R. Snead, Rodger W. Stringham, D. Tyler McQuade, B. Frank Gupton

An Efficient Synthesis of Tenofovir (PMPA): A Key Intermediate Leading to Tenofovir-Based HIV Medicines

Posted

Feb 26, 2020

10.26434/chemrxiv.11900262.v1

Mazhar Abdulwahed, Lamia Mamoly, Wael Bosnali

A Simple Spectrophotometric Method for Determination of Glyoxylic Acid in Its Synthesis Mixture

Posted

Feb 27, 2020

10.26434/chemrxiv.11899890.v1

Tyler J. Fulton, Anthony Chen, Michael Bartberger, Brian Stoltz

Enantioselective Total Synthesis of (–)-Myrifabral A and B

Posted

Feb 27, 2020

10.26434/chemrxiv.11900331.v1

Seunghyun Moon, Qiushi Zhang, Dezhao Huang, Satyajyoti Senapati, Hsueh-Chia Chang, Eungkyu Lee, Tengfei Luo

Biocompatible Direct Deposition of Functionalized Nanoparticles using Shrinking Surface Plasmonic Bubble

Posted

Feb 27, 2020

10.26434/chemrxiv.11901513.v1

Energy

Sarmin Hamidi, Sepand Haghighi, Kasra Askari

Dataset of Standard Tests of Nafion 112 Membrane and Membrane Electrode Assembly (MEA) Activation Tests of Proton Exchange Membrane (PEM) Fuel Cell

Posted

Feb 27, 2020

10.26434/chemrxiv.11902023.v1

Simone Rauch, Krysten A. Jones, Bryan Dickinson

Small Molecule-Inducible RNA-Targeting Systems for Temporal Control of RNA Regulation

Posted

Feb 27, 2020

10.26434/chemrxiv.11673711.v3

Maryam Nazari, Gregory Welch, Thomas A. Welsh

Diketopyrrolopyrrole Derivatives Functionalized with N-Annulated PDI and Se-Annulated PDI by Direct (Hetero)Arylation Methods

Posted

Feb 27, 2020

10.26434/chemrxiv.11893992.v1

Muhammad Zenaidee, Carter Lantz, Taylor Perkins, Janine Fu, Wonhyuek Jung, Rachel R. Ogorzalek Loo, Joseph A. Loo

Internal Fragments Generated by Electron Ionization Dissociation Enhances Protein Top-down Mass Spectrometry

Posted

Feb 27, 2020

10.26434/chemrxiv.11573337.v2

Xue Yang, Majlen Dilweg, Dion Osemwengie, Lindsey Burggraaff, Daan van der Es, Laura Heitman, Adriaan P. IJzerman

Design, Synthesis and Pharmacological Profile of LUF7746, a Novel Covalent Partial Agonist for the Adenosine A1 Receptor

Posted

Feb 27, 2020

10.26434/chemrxiv.11903286.v1

Robert Hall, Tom Dixon, Alex Dickson

Correction Terms for Calculating Binding Free Energy Using Rates from Nonequilibrium Simulations

Posted

Feb 27, 2020

10.26434/chemrxiv.11904915.v1

Florian Chotard, Vasily Sivchik, Mikko Linnolahti, Manfred Bochmann, Alexander Romanov

Mono- Versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to Best Performance?

Posted

Feb 27, 2020

10.26434/chemrxiv.11905557.v1

Earth, Space, and Environmental Chemistry

10.26434/chemrxiv.11859885.v2

Sorption Hysteresis on Soils and Sediments: Obtaining Characteristic Free Energies Using "Single-Point Desorption Isotherms"

Mikhail Borisover

Posted

Feb 27, 2020

Krishna Deshpande, Pranav Pathak, Vishvas Joshi, Stephen barton, Krishnapriya Mohanraj

A Simple and Cost-Effective Synthesis of Sulfated β-Cyclodextrin and Its Application as Chiral Mobile Phase Additive in the Separation of Cloperastine Enantiomers

Posted

Feb 27, 2020

10.26434/chemrxiv.11907060.v1

Robert Wodraszka, Tucker Carrington

A Collocation-Based Multi-Configuration Time-Dependent Hartree Method Using Mode Combination and Improved Relaxation

Posted

Feb 27, 2020

10.26434/chemrxiv.11907288.v1

Emy André-Joyaux, Andrey Kuzovlev, Nicholas D. C. Tappin, Philippe Renaud

A General Approach to Deboronative Radical Chain Reaction with Pinacol Alkylboronic Esters

Posted

Feb 27, 2020

10.26434/chemrxiv.11907291.v1

Claudia Bauer, Aisling Minard, Isabelle Pickles, Matthew Burnham, Nikil Kapur, David Beech, Stephen Muench, Megan Wright, Stuart Warriner, Robin Bon

Xanthine-Based Photoaffinity Probes Allow Assessment of Ligand Engagement by TRPC5 Channels

Posted

Feb 28, 2020

10.26434/chemrxiv.11890128.v2

Léa El Khoury, Frédéric Célerse, Louis Lagardere, Luc-Henri Jolly, Étienne Derat, Zeina Hobaika, Richard G. Maroun, Pengyu Ren, Serge Bouaziz, Nohad Gresh, Jean-Philip Piquemal

Reconciling NMR Structures of the HIV-1 Nucleocapsid Protein (NCp7) using Extensive Polarizable Force Field Free-Energy Simulations

Posted

Feb 28, 2020

10.26434/chemrxiv.11336975.v3

Lifeng Chen, Jie Zhang, Xianwen He, Manqing Liu, Qiuyang Wei, Xinpeng Wang, Yuezhou Wei

Fast Recovery of Lead from Hydrochloric Acid via a Novel Silica-Supported Anion Exchange Resin for the Determination of 210Pb in Environmental Samples

Posted

Feb 28, 2020

10.26434/chemrxiv.11907750.v1

wei xiong, Wenying Chang, Dong Shi, Lijiang Yang, Ziyou Tian, Hao Wang, Zhengchu Zhang, Xuhao Zhou, Erqiang Chen, HUA LU

Geminal Dimethyl Substitution Enabled Controlled Ring-Opening Polymerization and Selective Depolymerization of Penicillamine-Derived β-Thiolactones

Posted

Feb 28, 2020

10.26434/chemrxiv.11907918.v1

Mengyu Ge, Robert W. Molt Jr, Huw T. Jenkins, G. Michael Blackburn, Yi Jin, Alfred A. Antson

An Unprecedented Octahedral Trifluoromagnesate MgF3(Wat)– Transition State Analog Reveals The Molecular Mechanism of ATP Hydrolysis by Zika Virus Helicase

Posted

Feb 28, 2020

10.26434/chemrxiv.11908401.v1

Anuj Joshi, Sofia Donnecke, Ori Granot, Dongju Shin, Scott Collins, Irina Paci, J Scott McIndoe

Gas-Phase Oxidation of Reactive Organometallic Ions

Posted

Feb 28, 2020

10.26434/chemrxiv.11909397.v1

BAHADUR SK, Samarth Sharma, Anto James, Subhankar Kundu, Abhijit Patra

N-Rich Electron Acceptor: Triplet Harvesting in Multichromophoric Pyridoquinoxaline and Pyridopyrazine-Based Organic Emitters

Posted

Feb 28, 2020

10.26434/chemrxiv.11910768.v1

Gergely Zahoranszky-Kohalmi, Kanny K. Wan, Alexander G. Godfrey

Hilbert-Curve Assisted Structure Embedding Method

Posted

Feb 28, 2020

10.26434/chemrxiv.11911296.v1

José Tiago Menezes Correia, Gustavo Piva da Silva, Camila Menezes Kisukuri, Elias André, Bruno Pires, Pablo Silva Carneiro, Marcio Weber Paixão

Metal-Free Photoinduced Hydroalkylation Cascade Enabled by an Electron-Donor-Acceptor Complex

Posted

Feb 28, 2020

10.26434/chemrxiv.11912073.v1