Results 141 to 150 of about 663,691 (274)

Accuracy and feasibility analysis of computational chemistry in drug spectral simulation-a case study of acetylsalicylic acid. [PDF]

BMC Chem
Cao H, Zeng J, Xue L.
europepmc   +1 more source

Bioinformatics and computational chemistry approaches to explore the mechanism of the anti-depressive effect of ligustilide. [PDF]

Sci Rep, 2023
Zhang K, Zhang C, Teng X, Wang K, Chen M.   +4 more
europepmc   +1 more source

Computing Chemistry [PDF]

Nature, 1972
openaire   +1 more source

Substrate Stress Relaxation Regulates Cell‐Mediated Assembly of Extracellular Matrix

Advanced Functional Materials, EarlyView.
Silicone‐based viscoelastic substrates with tunable stress relaxation reveal how matrix mechanics regulates cellular mechanosensing and cell‐mediated matrix remodelling in the stiff regime. High stress relaxation promotes assembly of fibronectin fibril‐like structures, increased nuclear localization of YAP and formation of β1 integrin‐enriched ...
Jonah L. Voigt, Jens Timmer, Elisabetta Ada Cavalcanti‐Adam   +2 more
wiley   +1 more source

Unraveling the thermal decomposition and chemical ionization of methionine using ion mobility spectrometry and computational chemistry. [PDF]

Sci Rep
Amiri M, Vahedpour M, Bahrami H, Douroudgari H.   +3 more
europepmc   +1 more source

Computational pharmacology and computational chemistry of 4-hydroxyisoleucine: Physicochemical, pharmacokinetic, and DFT-based approaches. [PDF]

Front Chem, 2023
Ahmad I, Kuznetsov AE, Pirzada AS, Alsharif KF, Daglia M, Khan H.   +5 more
europepmc   +1 more source

Modulating Electrochemical CO2 Reduction Pathways via Interfacial Electric Field

Advanced Functional Materials, EarlyView.
Engineering interfacial electric fields in Cu/ITO electrodes enables precise control of CO2 reduction pathways. Charge transfer from Cu to ITO generates positively charged Cu species that steer selectivity from ethylene toward methane. This work demonstrates how interfacial electric‐field modulation can direct reaction intermediates and transform ...
Mahdi Salehi, Zhengyuan Gao, Sai Phani Kumar Vangala, Amirhossein Farzi, Hamed Heidarpour, Morgan McKee, Nikolay Kornienko, Ali Seifitokaldani   +7 more
wiley   +1 more source

Absorption Spectrum of Hydroperoxymethyl Thioformate: A Computational Chemistry Study. [PDF]

Molecules
Catalán-Fenollosa D, Carmona-García J, Borrego-Sánchez A, Saiz-Lopez A, Roca-Sanjuán D.   +4 more
europepmc   +1 more source

Fast‐Responding O2 Gas Sensor Based on Luminescent Europium Metal‐Organic Frameworks (MOF‐76)

Advanced Functional Materials, EarlyView.
Luminescent MOF‐76 materials based on Eu(III) and mixed Eu(III)/Y(III) show rapid and reversible changes in emission intensity in response to O2 with very short response times. The effect is based on triplet quenching of the linker ligands that act as photosensitizers. Average emission lifetimes of a few milliseconds turn out to be mostly unaffected by
Zhenyu Zhao, Christian Weinberger, Jakob Steube, Matthias Bauer, Martin Brehm, Michael Tiemann   +5 more
wiley   +1 more source

Computational Chemistry: Abstracts 507-518

CHIMIA, 2011
Swiss Chemical Society
doaj   +1 more source