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Exploring the Catalytic Mechanism of the RNA Cap Modification by nsp16-nsp10 Complex of SARS-CoV-2 through a QM/MM Approach
(MDPI, 2021-12-28)
The inhibition of key enzymes that may contain the viral replication of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) have assumed central importance in drug discovery
projects. Nonstructural proteins (nsps) ...
LC-QTOF MS screening of more than 1,000 licit and illicit drugs and their metabolites in wastewater and surface waters from the area of Bogotá, Colombia
(Springer, 2015-08)
A large screening of around 1,000 emerging contaminants, focused on licit and illicit drugs and their metabolites, has been made in urban wastewaters (both influent and effluent) and surface waters from the area of Bogotá, ...
QM/MM Calculations Suggest a Novel Intermediate Following the Proton Abstraction Catalyzed by Thymidylate Synthase
(American Chemical Society, 2013-03-07)
The cleavage of covalent C–H bonds is one of the most energetically demanding, yet biologically essential, chemical transformations. Two C–H bond cleavages are involved in the reaction catalyzed by thymidylate synthase ...
Covalent Inhibition of the Human 20S Proteasome with Homobelactosin C Inquired by QM/MM Studies
(MDPI, 2022)
20S proteasome is a main player in the protein degradation pathway in the cytosol, thus
intervening in multiple pivotal cellular processes. Over the years the proteasome has emerged as a
crucial target for the treatment ...
Structural study of α-Bi2O3 under pressure
(IOP Publishing, 2013)
An experimental and theoretical study of the structural properties of monoclinic bismuth oxide (α-Bi2O3) under high pressures is here reported. Both synthetic and mineral bismite powder samples have been compressed up to ...
Fast methodology for the reliable determination of nonylphenol in water samples by minimal labeling isotope dilution mass spectrometry
(Elsevier, 2013-08)
In this work we have developed and validated an accurate and fast methodology for the determination of 4-nonylphenol (technical mixture) in complex matrix water samples by UHPLC–ESI-MS/MS. The procedure is based on isotope ...
Structure, electronic properties, morphology evolution, and photocatalytic activity in PbMoO4 and Pb12xCaxSrxMoO4 (x = 0.1, 0.2, 0.3, 0.4 and 0.5) solid solutions
(Royal Society of Chemistry, 2020)
In this work PbMoO4 and Pb12xCaxSrxMoO4 (x = 0.1, 0.2, 0.3, 0.4 and 0.5) solid solutions have been
successfully prepared, for the first time, by a simple co-precipitation method and the as-synthesized
samples were subjected ...
Digital video electrochemistry (DVEC) applied to the study of Prussian Blue films
(Wiley, 2022-03-02)
Prussian Blue films were electrogenerated on a Pt disc electrode and color changes were studied by digital video electrochemistry together with cyclic voltammetry. Three systems of peaks were detected. Peaks corresponding ...
Introducción y aplicación de la plataforma Moodle en prácticas de laboratorio químico
(Universitat Autònoma de Barcelona: Grupo de investigación Didáctica y Multimedia, 2013)
El presente trabajo constituye un ejemplo de implementación de la plataforma Moodle en clases prácticas de laboratorio químico dirigidas a estudiantes universitarios. La realización de una serie de cuestionarios a través ...