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Kinetics Aspects of the Reversible Assembly of Copper in Heterometallic Mo3CuS4 Clusters with 4,4′-Di-tert-butyl-2,2′-bipyridine
American Chemical Society (2016)Treatment of the triangular [Mo3S4Cl3(dbbpy)3]Cl cluster ([1]Cl) with CuCl produces a novel tetrametallic cuboidal cluster [Mo3(CuCl)S4Cl3(dbbpy)3][CuCl2] ([2][CuCl2]), whose crystal structure was determined by X-ray ... -
Large hole spin anticrossings in InAs/GaAs double quantum dots
AIP Publishing (2013-09-23)We show that hole states in InAs/GaAs double quantum dots can exhibit spin anticrossings of up to 1 meV, according to simulations with a three dimensional Burt-Foreman Hamiltonian including strain and piezoelectric fields. ... -
Laser and electron beam-induced formation of Ag/Cr structures on Ag2CrO4
Royal Society of Chemistry (2019)The interactions of silver chromate (Ag2CrO4) with a femtosecond (fs) laser and electron beam irradiations were investigated. For the first time, the growth and coalescence of metallic Ag nanoparticles (NPs) on an Ag2CrO4 ... -
Laser-induced formation of bismuth nanoparticles
Royal Society of Chemistry (2018)In the current communication, the synthesis of metallic Bi nanoparticles with coexisting crystallographic structures (rhombohedral, monoclinic, and cubic) obtained via direct femtosecond laser irradiation of NaBiO3 is ... -
Laser/Electron Irradiation on Indium Phosphide (InP) Semiconductor: Promising Pathways to In Situ Formation of Indium Nanoparticles
Wiley (2018)In the current study, whether femtosecond laser and electron beam irradiation of indium phosphide (InP) are “green,” fast, and effective methods to produce metallic In nanoparticles is probed. High-resolution transmission ... -
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, ... -
Linking Electrostatic Effects and Protein Motions in Enzymatic Catalysis. A Theoretical Analysis of Catechol O-Methyltransferase
American Chemical Society (2015-08)The role of protein motions in enzymatic catalysis is the subject of a hot scientific debate. We here propose the use of an explicit solvent coordinate to analyze the impact of environmental motions during the reaction ... -
Liquid chromatography, a valuable tool in the determination of antibiotics in biological, food and environmental samples
Elsevier B.V. (2022-06-05)This review is the result of a survey across the bibliography about the determination of several antibiotics in biological, food and environmental samples by liquid chromatography. Their determination in those samples ... -
Long-range and short-range structures of cube-like shape SrTiO3 powders: microwave-assisted hydrothermal synthesis and photocatalytic activity
Royal Society of Chemistry (2013)We report herein a detailed study on the influence of microwave-assisted hydrothermal (MAH) treatment time on both long and short range structures around Ti atoms of SrTiO3 powders. Few studies have been carried out on ... -
Loss of Hyperconjugative Effects Drives Hydride Transfer during Dihydrofolate Reductase Catalysis
American Chemical Society (2019-09-23)Hydride transfer is widespread in nature and has an essential role in applied research. However, the mechanisms of how this transformation occurs in living organisms remain a matter of vigorous debate. Here, we examined ... -
Luminescence and structural properties of Ca1-xZrO3:Eux: An experimental and theoretical approach
Sao Paulo State University. Institute of Chemistry (2022-04-11)The influence of Eu3+ cations in the host matrix of CaZrO3 was investigated by analyzing its luminescence and structural properties. The Ca1-xZrO3:Eux crystals (x = 0.01, 0.02, 0.04, and 0.08 mol%) were obtained by a simple ... -
Magnetic interactions in thiazyl-based magnets: The role of the charge and spin densities
International Union of Crystallography (2008)The crystal structure of the organic radical p-O2NC6F4CNSSN was determined at 20 K through a single-crystal neutron-diffraction experiment. It crystallises in the tetragonal space group P41212, unchanged from a previous ... -
Magnetic modulation of the tunneling between defects states in antidot superlattices
IOP Publishing (2012)We show theoretically that the tunnelling between properly designed defects in periodic antidot lattices can be strongly modulated by applied magnetic fields. Further, transport channels made up of linear arrangements of ... -
Magnetism and multiferroic properties at MnTiO3 surfaces: A DFT study
Elsevier (2018-09-15)The present study illustrates how density functional theory calculations can rationalize the surface structure and magnetism for the low-index (1 1 0), (1 0 1), (1 0 0), (0 0 1), (1 1 1), and (0 1 2) surfaces of MnTiO3. A ... -
Magnetophotoluminescence in GaAs/AlAs core-multishell nanowires: A theoretical investigation
American Physical Society (2015)The magnetophotoluminescence in modulation doped core-multishell nanowires is predicted as a function of photoexcitation intensity in nonperturbative transverse magnetic fields. We use a self-consistent field approach within ... -
Making waves: Wastewater-based surveillance of cannabis use
Elsevier Ltd (2024-03-25)Monitoring cannabis consumption holds great interest due to the increasing trend towards its legalization for both medicinal and recreational purposes, despite the potential risks and harms involved. Wastewater-based ... -
Manganese Defective Clustering: Influence on the Spectroscopic Features of Ceria-Based Nanomaterials
American Chemical Society (2023-07-21)The influence of manganese modification on the spectroscopic features of manganese-doped CeO2 systems synthesized by the microwave-assisted hydrothermal route and their correlation with the presence of O defective structures ... -
Mass spectrometric characterisation of a condensation product between porphobilinogen and indolyl-3-acryloylglycine in urine of patients with acute intermittent porphyria
Wiley (2015-07)We document the presence of a previously unknown species in the urine of patients with acute intermittent porphyria (AIP). The compound was fully characterised by liquid chromatography tandem mass spectrometry. Interpretation ... -
Mass spectrometric characterization of urinary toremifene metabolites for doping control analyses.
© 2011 Elsevier (2011-07)Toremifene is a selective estrogen receptor modulator included in the list of prohibited substances in sport by the World Anti-doping Agency. The aim of the present study was to investigate toremifene metabolism in humans ...