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Structure, optical properties, and photocatalytic activity of α-Ag2W0.75Mo0.25O4
(Elsevier, 2020-07-23)
This article describes the synthesis of α-Ag2W0.75Mo0.25O4 using a coprecipitation method followed by microwave irradiation for different times. The samples were characterized using X-ray and neutron diffractions with ...
PVC-SiO2-Ag composite as a powerful biocide and anti-SARS-CoV-2 material
(Springer, 2021-08-31)
The ongoing COVID-19 pandemic has pushed scientists and technologists to find novel strategies to develop new materials to prevent the transmission, spread, and entry of pathogens into the human body. In this report, the ...
Are Heme-Dependent Enzymes Always Using a Redox Mechanism? A Theoretical Study of the Kemp Elimination Catalyzed by a Promiscuous Aldoxime Dehydratase
(American Chemical Society, 2020-09-03)
The design of biocatalysts is a goal to improve the rate, selectivity and environmental friendship of chemical processes in biotechnology. In this regard, the use of computational techniques has provided valuable assistance ...
On the catalytic transfer hydrogenation of nitroarenes by a cubane-type Mo3S4 cluster hydride: disentangling the nature of the reaction mechanism
(Royal Society of Chemistry, 2019)
Cubane-type Mo3S4 cluster hydrides decorated with phosphine ligands are active catalysts for the
transfer hydrogenation of nitroarenes to aniline derivatives in the presence of formic acid (HCOOH) and
triethylamine (Et3N). ...
Parallel reaction pathways and noncovalent intermediates in thymidylate synthase revealed by experimental and computational tools
(National Academy of Sciences, 2018)
Thymidylate synthase was one of the most studied enzymes due
to its critical role in molecular pathogenesis of cancer. Nevertheless, many atomistic details of its chemical mechanism remain
unknown or debated, thereby ...
QM/MM Study of L-Lactate Oxidation by Flavocytochrome b2
(Royal Society of Chemistry, 2016-05-18)
In this work, we have performed molecular dynamics simulations using a hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) scheme to study the mechanism of L-lactate oxidation by flavocytochrome b2 (Fcb2). Our results ...
Unvealing the role of β-Ag2MoO4 microcrystals to the improvement of antibacterial activity
(Elsevier, 2020)
Crystal morphology with different surfaces is important for improving the antibacterial activity of materials. In this experimental and theoretical study, the antibacterial activity of β-Ag2MoO4 microcrystals against the ...
Zinc-substituted Ag2CrO4: A material with enhanced photocatalytic and biological activity
(Elsevier, 2020-05-01)
In the past years, new environmentally-friendly photocatalysts have been reported, but the realization of efficient visible-light driven photocatalyst with highly active bactericidal and fungicidal activity is still ...
Development and validation of a liquid chromatography isotope dilution mass spectrometry method for the reliable quantificationof alkylphenols in environmental water samples by isotopepattern deconvolution
(Copyright © 2015 Elsevier, 2014-02-07)
We present here a new measurement method for the rapid extraction and accurate quantification of technical nonylphenol (NP) and 4-t-octylphenol (OP) in complex matrix water samples by UHPLC-ESI-MS/MS. The extraction of ...
Silver Molybdate and Silver Tungstate Nanocomposites with Enhanced Photoluminescence
(InTech, 2014)
Silver molybdate (Ag2MoO4) and silver tungstate (Ag2WO4) nanomaterials were prepared using two complementary methods, microwave assisted hydrothermal synthesis (MAH) (pH 7, 140 degrees C) and co-precipitation (pH 4, 70 ...