Listar QFA_Articles por título
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Improving the ozone gas-sensing properties of CuWO4 nanoparticles
Elsevier (2018-06)This paper consists of an experimental investigation on the effects of annealing temperature on the structural, surface and ozone gas-sensing properties of CuWO4 nanoparticles prepared via a sonochemical route. X-ray ... -
In situ Formation of Metal Nanoparticles through Electron Beam Irradiation: Modeling Real Materials from First-Principles Calculations
OMICS International (2018-06)Advances in electron-matter studies, based on the irradiation of the electron beam in the transmission electron microscopy or field emission-scanning electron microscope on materials represents a preferred external physical ... -
In situ growth of Ag nanoparticles on alpha-Ag2WO4 under electron irradiation: probing the physical principles
IOP Publishing Ltd (2016-04)Exploiting the plasmonic behavior of Ag nanoparticles grown on α-Ag2WO4 is a widely employed strategy to produce efficient photocatalysts, ozone sensors, and bactericides. However, a description of the atomic and electronic ... -
In Situ Growth of Bi Nanoparticles on NaBiO3, delta-, and beta-Bi2O3 Surfaces: Electron Irradiation and Theoretical Insights
American Chemical Society (2019-02-04)Herein, we present a combined experimental and theoretical study of the in situ growth of Bi nanoparticles on NaBiO3, δ-, and β-Bi2O3 surfaces mediated by the electron beam of a high-resolution transmission electron ... -
In situ Transmission Electron Microscopy observation of Ag nanocrystal evolution by surfactant free electron-driven synthesis
Nature Publishing Group (2016)The study of the interaction of electron irradiation with matter and the response of the material to the passage of electrons is a very challenging problem. However, the growth mechanism observed during nanostructural ... -
Inactivation of SARS-CoV-2 by a chitosan/α-Ag2WO4 composite generated by femtosecond laser irradiation
Nature Research (2022)In the current COVID‑19 pandemic, the next generation of innovative materials with enhanced anti‑ SARS‑CoV‑2 activity is urgently needed to prevent the spread of this virus within the community. Herein, we report the ... -
Incorporation of cubane-type Mo3S4 molybdenum cluster sulfides in the framework of mesoporous silica
Elsevier (2012)A new molybdenum siloxo cluster of formula [Mo3S4(dmpe)3(MPTES)3]PF6 (dmpe = 1,2-(bis)dimethylphosphinoethane; MPTES = (3-mercaptopropyl)triethoxysilane) has been synthesized with the ultimate goal of incorporating it into ... -
Increased Dynamic Effects in a Catalytically Compromised Variant of Escherichia coli Dihydrofolate Reductase
American Chemical Society (2013)Isotopic substitution (15N, 13C, 2H) of a catalytically compromised variant of Escherichia coli dihydrofolate reductase, EcDHFR-N23PP/S148A, has been used to investigate the effect of these mutations on catalysis. The ... -
Increased levels of the oxidative stress biomarker 8-iso-prostaglandin F2α in wastewater associated with tobacco use
Nature Publishing Group (2016)Wastewater analysis has been demonstrated to be a complementary approach for assessing the overall patterns of drug use by a population while the full potential of wastewater-based epidemiology has yet to be explored. ... -
Increasing the photocatalytic and fungicide activities of Ag3PO4 microcrystals under visible-light irradiation
Elsevier (2021-05-03)The present study reports for the first time the performance of silver phosphate (Ag3PO4) microcrystals as photocatalyst (degradation of Rodamine B-RhB) and antifungal agent (against Candida albicans–C. albicans) under ... -
Indoor Air Quality and Bioaerosols in Spanish University Classrooms
Multidisciplinary Digital Publishing Institute (MDPI) (2024-03-20)A comprehensive study assessed indoor air quality parameters, focusing on relevant air pollutants such as particulate matter (PM10 and PM2.5), gaseous compounds (CO, CO2, formaldehyde, NO2) and volatile/semi-volatile organic ... -
Influence of Dielectric Environment upon Isotope Effects onGlycoside Heterolysis: Computational Evaluation and AtomicHessian Analysis
American Chemical Society (2019-12-30)Isotope effects depend upon the polarity of the bulk medium in which a chemical process occurs. Implicit solvent calculations with molecule-shaped cavities show that the equilibrium isotope effect (EIE) for heterolysis of ... -
Influence of Polytypism on the Electronic Structure of CdSe/CdS and CdSe/CdSe Core/Shell Nanocrystals
American Chemical Society (2017-03)We address theoretically differences and similarities on the electronic structure of CdSe/CdS dot-in-dot nanocrystals (NCs) with wurtzite/wurtzite (WZ/WZ), zinc-blende/zinc-blende (ZB/ZB) and polytype ZB/WZ crystalline ... -
Influence of the Diphosphine Coordinated to Molybdenum and Tungsten Triangular M3S4 Cluster Hydrides in the Catalytic Hydrodefluorination of Pentafluoropyridine
Springer (2015-01)Hydrido molybdenum and tungsten(IV) cluster cations of formula [M3S4H3(dppe)3]+ (dppe = 1,2-(bis)dimethylphosphinoethane), [Mo-1]+ (M = Mo) and [W-1]+ (M = W), have been isolated by reacting their halide precursors with ... -
Influence of the Ligand Alkyl Chain Length on the Solubility, Aqueous Speciation, and Kinetics of Substitution Reactions of Water-Soluble M3S4 (M = Mo, W) Clusters Bearing Hydroxyalkyl Diphosphines
American Chemical Society (2013)Water-soluble [M3S4X3(dhbupe)3]+ diphosphino complexes (dhbupe = 1,2-bis(bis(hydroxybutyl)phosphino)ethane), 1+ (M = Mo, X = Cl) and 2+ (M = W; X = Br), have been synthesized by extending the procedure used for the ... -
Inquiry of the electron density transfers in chemical Q1 Q2 reactions: a complete reaction path for the denitrogenation process of 2,3-diazabicyclo- [2.2.1]hept-2-ene derivatives
Royal Society of Chemistry (2015)A detailed study on all stages associated with the reaction mechanisms for the denitrogenation of 2,3-diazabicyclo[2.2.1]hept-2-ene derivatives (DBX, with X substituents at the methano-bridge carbon atom, X = H and OH) ... -
Insight into Copper-Based Catalysts: Microwave-Assisted Morphosynthesis, In Situ Reduction Studies, and Dehydrogenation of Ethanol
Wiley (2011)Copper-based catalysts obtained by microwave-assisted morphosynthesis were correlated with the dehydrogenation of ethanol. The degree of reduction was monitored using time-resolved in situ XANES during TPR under H2. A ... -
Insight into the Effects of Fe Addition on the Local Structure and Electronic Properties of SrTiO3
American Chemical Society (2014-01)This paper reports an experimental and theoretical investigation of the effects of adding Fe to the perovskite strontium titanate SrTiO3. The effects include changes in the short-order range structure as well as in the ... -
Insight into the mechanism of diazocompounds transformation catalyzed by hetero cuboidal clusters [Mo3CuQ4(MeBPE)3X4]+, (Q = S, Se; X = Cl, Br): The catalytically active species
Elsevier (2008)Two enantiomerically pure trinuclear compounds of formula (P)-[Mo3S4{(R,R)-Me–BPE}3Br3]Br and (P)-[Mo3Se4{(R,R)-Me–BPE}3Cl3]Cl, (P)-1b.Br and (P)-1c.Cl, respectively, have been synthesized in a good yield and a stereospecific ... -
Insights on the Origin of Catalysis on Glycine N-Methyltransferase from Computational Modeling
American Chemical Society (2018-02)The origin of enzyme catalysis remains a question of debate despite much intense study. We report a QM/MM theoretical study of the SN2 methyl transfer reaction catalyzed by a glycine N-methyltransferase (GNMT) and three ...