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Archive March 2018

2023
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Category: Analytical Chemistry
,
Working Paper
, Title:

Small-Molecule (Micro)arrays for Sensitive Multiplex Metabolites Detection by Surface Plasmon Resonance Imaging

, Authors: Yong Cao, Mark T. McDermott
Posted
Mar 01, 2018
10.26434/chemrxiv.5930644.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Guest-Dependent Stabilization of the Low Spin State in Spin-Crossover Metal-Organic Frameworks

, Authors: C. Huy Pham, Paesani Lab
Posted
Mar 02, 2018
10.26434/chemrxiv.5938228.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Synthesis of Mesoscale, Crumpled, Reduced Graphene Oxide Roses by Water-in-Oil Emulsion Approach

, Authors: Shruti Sharma, Viet Hung Pham, Jorge A. Boscoboinik, Fernando Camino, James H. Dickerson, Rina Tannenbaum
Posted
Mar 02, 2018
10.26434/chemrxiv.5940799.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Size and Concentration Determination of Colloidal Nanocrystals by Small-Angle X-Ray Scattering

, Authors: Jorick Maes, Nicolo Castro, Kim De Nolf, Willem Walravens, Benjamin Abécassis, Zeger Hens
Posted
Mar 02, 2018
10.26434/chemrxiv.5942920.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Understanding the Capacity Loss in LNMO-LTO Lithium-Ion Cells at Ambient and Elevated Temperatures

, Authors: Burak Aktekin, Matthew J. Lacey, Tim Nordh, Reza Younesi, Carl Tengstedt, Wolfgang Zipprich, Daniel Brandell, Kristina Edström
Posted
Mar 05, 2018
10.26434/chemrxiv.5944228.v1
 
Category: Nanoscience
,
Working Paper
, Title:

Communication: Photoinduced Carbon Dioxide Binding with Surface-Functionalized Silicon Quantum Dots

, Authors: Oscar A. Douglas-Gallardo, Cristián Gabriel Sánchez, Esteban Vöhringer-Martinez
Posted
Mar 05, 2018
10.26434/chemrxiv.5944273.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

A Surface Plasmon Resonance Based Inhibition Immunoassay for Sensitive and Selective Detection of 17β-Estradiol

, Authors: Yong Cao, Mark T. McDermott
Posted
Mar 05, 2018
10.26434/chemrxiv.5945005.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Temperature Dependence of the Air/Water Interface Revealed by Polarization Sensitive Sum-Frequency Generation Spectroscopy

, Authors: Daniel R. Moberg, Shelby C. Straight, Paesani Lab
Posted
Mar 06, 2018
10.26434/chemrxiv.5938177.v2
 
Category: Nanoscience
,
Working Paper
, Title:

A Blueprint for the Synthesis and Characterisation of Thin Graphene Oxide with Controlled Lateral Dimensions for Biomedicine

, Authors: Artur Rodrigues, Leon Newman, Neus Lozano, Sourav Prasanna Mukherjee, Bengt Fadeel, Cyrill Bussy, Kostas Kostarelos
Posted
Mar 06, 2018
10.26434/chemrxiv.5909824.v2
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Remarkable Sensing Behavior of Pyrazole-based Chemosensor Towards Cu(II) Ion Detection: Synthesis, Characterization and Theoretical Investigations

, Authors: Nagaraj Nayak, Shiva Prasad Kollur, Renjith Raveendran Pillai, Stevan Armaković, Sanja J. Armaković
Posted
Mar 06, 2018
10.26434/chemrxiv.5950327.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

ChemOS: An Orchestration Software to Democratize Autonomous Discovery

, Authors: Loı̈c M. Roch, Florian Häse, Christoph Kreisbeck, Teresa Tamayo-Mendoza, Lars P. E. Yunker, Jason E. Hein, Alan Aspuru-Guzik
Posted
Mar 07, 2018
10.26434/chemrxiv.5953606.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

Networking Chemical Robots Using Twitter for #RealTimeChem

, Authors: Dario Caramelli, Daniel Salley, Alon Henson, Gerardo Aragon Camarasa, Salah Sharabi, Graham Keenan, Leroy Cronin
Posted
Mar 07, 2018
10.26434/chemrxiv.5952655.v1
 
Category: Chemical Education
,
Working Paper
, Title:

A Unifying Principle for a Researcher Learning Safety: Reduce Uncertainty!

, Authors: Camilla Kao, Russell Furr
Posted
Mar 07, 2018
10.26434/chemrxiv.5917162.v5
 
Category: Materials Science
,
Working Paper
, Title:

Adsorption Contraction Mechanics: Understanding Breathing Energetics in Isoreticular Metal-Organic Frameworks

, Authors: Simon Krause, Jack D. Evans, Volodymyr Bon, Irena Senkovska, Sebastian Ehrling, Ulrich Stoeck, Pascal Yot, Paul Iacomi, Philip Llewellyn, Guillaume Maurin, François-Xavier Coudert, Stefan Kaskel
Posted
Mar 08, 2018
10.26434/chemrxiv.5962240.v1
 
Category: Polymer Science
,
Working Paper
, Title:

Endgroup and Sidechain Functionalization of Surface-Initiated ROMP Thin Films: Progress Towards ROMP-Based Molecular Wires

, Authors: Nicholas Marshall
Posted
Mar 08, 2018
10.26434/chemrxiv.5954518.v2
 
Category: Materials Science
,
Working Paper
, Title:

Screening and characterization of ternary oxides for high temperature carbon capture

, Authors: Michael Gaultois, Matthew T Dunstan, Adam W Bateson, Martin Chan, Clare P Grey
Posted
Mar 13, 2018
10.26434/chemrxiv.5563204.v2
 
Category: Earth, Space, and Environmental Chemistry
,
Working Paper
, Title:

Radiocarbon (14C) Concentration of Local Pollution in Street Trees Located at Intersections

, Authors: Daisuke Ogawa
Posted
Mar 13, 2018
10.26434/chemrxiv.5970868.v1
 
Category: Organometallic Chemistry
,
Working Paper
, Title:

Designing Stability into Thermally Reactive Plumbylenes

, Authors: Goran Bacic, David Zanders, Anjana Devi, Sean Barry
Posted
Mar 13, 2018
10.26434/chemrxiv.5972863.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Protein-Protein Interaction Network Analysis and Identification of Key Players in nor-NOHA and NOHA Mediated Pathways for Treatment of Cancer through Arginase Inhibition: Insights from Systems Biology

, Authors: Ishtiaque Ahammad
Posted
Mar 19, 2018
10.26434/chemrxiv.5993326.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Quantum Mechanical Interpretation of the Ultra-Low Energy Methyl-Rotation Dynamics in Porous Metal-Organic Frameworks Probed by Low-Frequency Vibrational Spectroscopy and ab initio Simulations

, Authors: Qi Li, Adam J. Zaczek, Timothy M. Korter, J. Axel Zeitler, Michael T. Ruggiero
Posted
Mar 19, 2018
10.26434/chemrxiv.5995078.v1
 
Category: Analytical Chemistry
,
Working Paper
, Title:

mmpdb: An Open Source Matched Molecular Pair Platform for Large Multi-Property Datasets

, Authors: Andrew Dalke, Jerome Hert, Christian Kramer
Posted
Mar 19, 2018
10.26434/chemrxiv.5999375.v1
 
Category: Catalysis
,
Working Paper
, Title:

Mesoporous SiO2–TiO2 Epoxidation Catalysts: Tuning Surface Polarity to Improve Performance in the Presence of Water

, Authors: Valentin Smeets, Lilia Ben Mustapha, Josefine Schnee, Eric M. Gaigneaux, Damien Debecker
Posted
Mar 20, 2018
10.26434/chemrxiv.6002354.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Surface confinement induces the formation of solid - like insulating ionic liquid nanostructures

, Authors: Massimiliano Galluzzi, Simone Bovio, Paolo Milani, Alessandro Podestà
Posted
Mar 20, 2018
10.26434/chemrxiv.5573287.v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

A New Kinetic Model for Multicomponent Adsorption in Batch Systems

, Authors: yongson hong, Kye-Ryong Sin, Yong-U Ri, Jong-Su Pak, Yung Jon, Chol-Sik Kim, Chol-Su Jang, Hye-Ryon Ju, Sung-Hwan Ri
Posted
Mar 21, 2018
10.26434/chemrxiv.5899393.v2
 
Category: Chemical Education
,
Working Paper
, Title:

Who Makes the Call --- and How?

, Authors: Camilla Kao, Che-I Kao
Posted
Mar 21, 2018
10.26434/chemrxiv.5990998.v2
 
Category: Nanoscience
,
Working Paper
, Title:

Direct Assembly of Large Area Nanoparticle Arrays

, Authors: Paul Mulvaney, HEYOU ZHANG, CALUM KINNEAR, Jasper Cadusch, TIMOTHY JAMES, ANN ROBERTS
Posted
Mar 21, 2018
10.26434/chemrxiv.6008222.v1
 
Category: Catalysis
,
Working Paper
, Title:

Iron-Catalyzed C—H Insertions: Organometallic and Enzymatic Carbene Transfer Reactions

, Authors: Katharina J. Hock, Anja Knorrscheidt, Renè Hommelsheim, Junming Ho, Martin J. Weissenborn, Rene M. Koenigs
Posted
Mar 21, 2018
10.26434/chemrxiv.6011096.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Hydration Free Energies of Organic Molecules in the FreeSolv Database Calculated with Polarized Atom In Molecules Atomic Charges and the GAFF Force Field.

, Authors: Maximiliano Riquelme, Alejandro Lara, David L. Mobley, Toon Vestraelen, Adelio R Matamala, Esteban Vöhringer-Martinez
Posted
Mar 22, 2018
10.26434/chemrxiv.6015611.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Revitalizing the Concept of Bond Order Through Delocalization Measures in Real Space

, Authors: Carlos Outeiral, Mark Vincent, Ángel Martín Pendás, Paul L. A. Popelier
Posted
Mar 22, 2018
10.26434/chemrxiv.6015848.v1
 
Category: Theoretical and Computational Chemistry
,
Working Paper
, Title:

Random Versus Systematic Errors in Reaction Enthalpies Computed Using Semi-empirical and Minimal Basis Set Methods

, Authors: Jimmy Kromann, Alexander Welford, Anders Steen Christensen, Jan H. Jensen
Posted
Mar 23, 2018
10.26434/chemrxiv.5809380.v3
 
Category: Materials Science
,
Working Paper
, Title:

High Aspect Ratio Nanotubes Assembled from Macrocyclic Iminium Salts

, Authors: Chao Sun, Meng Shen, Anton Davidovich Chavez, Austin Evans, Xiaolong Liu, Boris Harutyunyan, Nathan Flanders, Mark Hersam, Michael J Bedzyk, Monica Olvera de la Cruz, William Dichtel
Posted
Mar 23, 2018
10.26434/chemrxiv.6016355.v1
 
Category: Inorganic Chemistry
,
Working Paper
, Title:

Revisiting Anisotropic Diffusion of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc)

, Authors: Alexander C. Forse, Stephen A. Altobelli, Stefan Benders, Mark S. Conradi, Jeffrey A. Reimer
Posted
Mar 23, 2018
10.26434/chemrxiv.6020006.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Anti-proliferative Activity of N-Heterocyclic Carbenes Derived from Guanosine

, Authors: Maria Inês Leitão, Federico Herrera, Ana Petronilho
Posted
Mar 26, 2018
10.26434/chemrxiv.6022919.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Stability of Adsorbed Water on TiO2-TiN Interfaces. A First Principles and Ab Initio Thermodynamics Investigation.

, Authors: Michael Nolan, Jose Julio Gutierrez Moreno, Pierre Loverra, Marco Fronzi, Alan O'Riordan
Posted
Mar 26, 2018
10.26434/chemrxiv.6022241.v1
 
Category: Physical Chemistry
,
Working Paper
, Title:

Synthesis, PtS-Type Structure, and Anomalous Mechanics of the Cd(CN)2 Precursor Cd(NH3)2[Cd(CN)4]

, Authors: Andrew Goodwin, Chloe Coates, Joshua Makepeace, Andrew Seel, Mia Baise, Ben Slater
Posted
Mar 26, 2018
10.26434/chemrxiv.6024893.v1
 
Category: Catalysis
,
Working Paper
, Title:

Activation of CO2 at Chromia-Nanocluster-Modified Rutile and Anatase TiO2

, Authors: Michael Nolan, Marco Fronzi
Posted
Mar 26, 2018
10.26434/chemrxiv.6025658.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Artificial Intelligence Recognizes β-Lapachone as an Allosteric 5- Lipoxygenase Inhibitor

, Authors: Gonçalo Bernardes, Tiago Rodrigues, Markus Werner, Jakob Roth, Eduardo H. G. da Cruz, Marta C. Marques, Susana A. Lobo, Andreas Koeberle, Francisco Corzana, Eufrânio N. da Silva Júnior, Oliver Werz
Posted
Mar 27, 2018
10.26434/chemrxiv.6026795.v1
 
Category: Biological and Medicinal Chemistry
,
Working Paper
, Title:

Statistical Force-Field for Structural Modeling Using Chemical Cross-Linking/mass Spectrometry Distance Constraints

, Authors: Allan J. R. Ferrari, Fabio C. Gozzo, Leandro Martinez
Posted
Mar 27, 2018
10.26434/chemrxiv.6030563.v1
 
Category: Catalysis
,
Working Paper
, Title:

Three-Component [1+1+1] Cyclopropanation with Ruthenium(II)

, Authors: Tanner C. Jankins, Robert R. Fayzullin, Eugene Khaskin
Posted
Mar 28, 2018
10.26434/chemrxiv.6025772.v2
 
Category: Physical Chemistry
,
Working Paper
, Title:

A Paramedic Treatment for Modeling Explicitly Solvated Chemical Reaction Mechanisms

, Authors: Yasemin Basdogan, John Keith
Posted
Mar 28, 2018
10.26434/chemrxiv.6045422.v1
 
Category: Catalysis
,
Working Paper
, Title:

Size Tunable Synthesis and Surface Chemistry of Metastable TiO2-Bronze Nanocrystals

, Authors: Jonas Billet, Wouter Dujardin, Katrien De Keukeleere, Klaartje De Buysser, Jonathan De Roo, Isabel Van Driessche
Posted
Mar 29, 2018
10.26434/chemrxiv.6057431.v1
 
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