Listar QFA_Articles por título
-
On the relationship between folding and chemical landscapes in enzyme catalysis
National Academy of Sciences (2008-09-16)Elucidating the relationship between the free energy landscape of enzymes and their catalytic power has been one of the challenges of modern enzymology. The present work explores this issue by using a simplified folding ... -
On the relationship between thermal stability and catalytic power of enzymes
ACS Publications (2007-12-25)The possible relationship between the thermal stability and the catalytic power of enzymes is of great current interest. In particular, it has been suggested that thermophilic or hyperthermophilic ... -
On the reversed crystal growth of BaZrO3 decaoctahedron: shape evolution and mechanism
Royal Society of Chemistry (2011)BaZrO3 (BZO) nanoparticles were nucleated, grown and subsequently self-assembled into a 3D decaoctahedronal architecture via a microwave-assisted hydrothermal (MAH) method. X-Ray diffraction (XRD), field emission scanning ... -
On the use of ionic liquids as mobile phase additives in high-performance liquid chromatography. A review
Elsevier (2015-07-07)The popularity of ionic liquids (ILs) has grown during the last decades in several analytical separation techniques. Consequently, the number of reports devoted to the applications of ILs is still increasing. This review ... -
One planet: one health. A call to support the initiative on a global science–policy body on chemicals and waste
SpringerOpen (2022-03-08)The chemical pollution crisis severely threatens human and environmental health globally. To tackle this challenge the establishment of an overarching international science–policy body has recently been suggested. We ... -
One- and Two-Photon Absorption in CdS Nanodots and Wires: The Role of Dimensionality in the One- and Two-Photon Luminescence Excitation Spectrum
American Chemical Society (2014-12)We investigate the spectral dependence of the linear and two-photon absorption of wurtzite CdS nanoparticles (dots and rods) by means of quantitative one- and two-photon photoluminescence excitation spectroscopy and effective ... -
One-pot direct C-H arylation of arenes in water catalysed by RuCl3 center dot nH(2)O-NaOAc in the presence of Zn
Royal Society of Chemistry (2013-06-07)The inexpensive and commercially available catalytic system RuCl3·nH2O–NaOAc–Zn is active in water for the direct C–H arylation of arenes with aryl/heteroaryl chlorides. The reaction can be accelerated by the use of microwave ... -
Optical Analysis of a series of Size and Shape-controlled Type-II CdTe/CdSe/CdTe Heterostructure Nanorods
IOP Publishing (2010)wo series of size and shape-controlled type-II CdTe/CdSe/CdTe heterostructure nanorods with different geometrical structures were prepared by the colloidal sequential reactant injection technique. The samples, including ... -
Optimization and application of a continuous flow photo-electro-Fenton system for the removal of pharmaceutical active compounds detected in irrigation water of Bogotá – Savanna (Colombia) Crops
Elsevier (2023)In this study, a continuous flow photo-electro-Fenton (PEF) system was evaluated for its ability to remove pharmaceutically active compounds (PhACs) from irrigation water used in Bogotá-savanna crops. The PEF system consisted ... -
Optimization and Validation of a Chromatographic Method for the Quantification of Isoniazid in Urine of Tuberculosis Patients According to the European Medicines Agency Guideline
(2018)Isoniazid is a drug that is widely used against tuberculosis. However, it shows high interpatient variability in metabolism kinetics and clinical effect, which complicates the prescription of the medication and jeopardizes ... -
Optimized Cation Exchange for Mercury Chalcogenide 2D Nanoplatelets and Its Application for Alloys
American Chemical Society (2021-11-29)II–VI two-dimensional (2D) nanoplatelets (NPLs) exhibit the narrowest optical features among nanocrystals (NCs). This property remains true for Hg-based NPLs, despite a cation exchange procedure to obtain them from Cd-based ... -
Organometallic derivatives of Rh- and Ir-substituted polyoxotungstates with Keggin structure: reactivity screening by electrospray ionization mass-spectrometry
Royal Society of Chemistry (2012-06)ESI-MS based methodology for the rapid reactivity screening of [PW11O39RhCl]5− and [PW11O39Ir(H2O)]4− toward various metalation-intended substrates (reagents with an activated C–H bond, boronic acids and organotin compounds) ... -
Origin of electron spin-orbit anisotropy in pyramidal InAs quantum dots
Elsevier (2015)We investigate the electron spin–orbit interaction anisotropy of pyramidal InAs quantum dots using a fully three-dimensional Hamiltonian. The dependence of the spin–orbit interaction strength on the orientation of externally ... -
Origin of Enzymatic Kinetic Isotope Effects in Human Purine Nucleoside Phosphorylase
American Chemical Society (2017)Here we report a study of the effect of heavy isotope labeling on the reaction catalyzed by human purine nucleoside phosphorylase (hPNP) to elucidate the origin of its catalytic effect and of the enzymatic kinetic isotope ... -
Origin of the absorption maxima of the photoactive yellow protein resolved via ab initio multiconfigurational methods
American Chemical Society (2008)We discuss the role of the protein in controlling the absorption spectra of photoactive yellow protein (PYP), the archetype xanthopsin photoreceptor, using quantum mechanics/molecular mechanics (QM/MM) methods based on ab ... -
Origin of two-hole triplet splitting in circular quantum dots
Elsevier (2012-05)Recent photoluminescence spectra of positively charged excitons in InAs/GaAs quantum dots have revealed the existence of large splittings between the View the MathML sourcep-shell triplet sublevels of holes. We provide an ... -
Oxidations and Oxidative Couplings Catalyzed by Triazolylidene Ruthenium Complexes
American Chemical Society (2011-02-10)A series of “RuII(η6-arene)” complexes with 1,2,3-triazolylidene ligands have been prepared and fully characterized. The molecular structure of one of the new complexes has been determined by means of X-ray diffractrometry. ... -
Oxygen Atom Transfer Reactions from Mimoun Complexes to Sulfides and Sulfoxides. A Bonding Evolution Theory Analysis
American Chemical Society (2014-07)In this research, a comprehensive theoretical investigation has been conducted on oxygen atom transfer (OAT) reactions from Mimoun complexes to sulfides and sulfoxides. The joint use of the electron localization function ... -
Palladium Catalysts with Sulfonate-Functionalized-NHC Ligands for Suzuki−Miyaura Cross-Coupling Reactions in Water
American Chemical Society (2011-02-03)Four new Pd(II) complexes containing sulfonate-functionalized N-heterocyclic carbene ligands have been synthesized. All new complexes are palladium bis-NHCs, in which the ligands adopt a monodentate, bis-chelating, and ... -
Palladium doping of In2O3 towards a general and selective catalytic hydrogenation of amides to amines and alcohols
Royal Society of Chemistry (2019-11)Herein, the first general heterogeneous catalytic protocol for the hydrogenation of primary, secondary and tertiary amides to their corresponding amines and alcohols is described. Advantageously, this catalytic protocol ...