Visualitzant QFA_Articles per títol
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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 ... -
Maternal transfer of organochlorine compounds to oocytes in wild and farmed gilthead sea bream (Sparus aurata)
Elsevier (2008)To investigate the transfer of lipophilic organochlorine compounds to the gonads in gilthead sea bream females, liver and oocytes from wild and farmed females, just before spawning, were analysed by gas chromatography ... -
Measurement and prediction of quantum coherence effects in biological processes
Royal Society of Chemistry (2015) -
Mechanism and plasticity of isochorismate pyruvate lyase: a computational study
American Chemical Society (2009)The isochorismate pyruvate lyase (IPL) from Pseudomonas aeruginosa, designated as PchB, catalyzes the transformation of isochorismate into pyruvate and salicylate, but it also catalyzes the rearrangement of chorismate into ... -
Mechanism of Antibacterial Activity via Morphology Change of α-AgVO3: Theoretical and Experimental Insights
American Chemical Society (2017)The electronic configuration, morphology, optical features, and antibacterial activity of metastable α-AgVO3 crystals have been discussed by a conciliation and association of the results acquired by experimental procedures ... -
Mechanism of glycoside hydrolysis: a comparative QM/MM molecular dynamics analysis for wild type and Y69F mutant retaining xylanases
Royal Society of Chemistry (2009)Computational simulations have been performed using hybrid quantum-mechanical/ molecular-mechanical potentials to investigate the catalytic mechanism of the retaining endo-b-1, 4-xylanase (BCX) from B. circulans. ... -
Mechanism of inhibition of SARS-CoV-2 Mpro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivity
Royal Society of Chemistry (2021)The SARS-CoV-2 main protease (Mpro) is essential for replication of the virus responsible for the COVID-19 pandemic, and one of the main targets for drug design. Here, we simulate the inhibition process of SARS-CoV-2 Mpro ... -
Mechanism of photoluminescence in intrinsically disordered CaZrO3 crystals: First principles modeling of the excited electronic states
Elsevier (2017-10)CaZrO3 (CZO) powders obtained by the polymeric precursor method at 400 °C, and then, the samples were annealed at different temperatures (400, 600, 800, and 1000 °C) and characterized by X-ray diffraction, Raman and ... -
Mechanism of the catalytic gas-phase aldehyde production from trinuclear W3S4 complexes bearing W-OEt groups
Elsevier (2011)Collision induced dissociation experiments of the alkoxo [W3S4(dmpe)2(O)(OCH2CH3)]+ tungsten (IV) cation reveal that aldehyde elimination is the dominant reaction pathway. Complementary deuterium labelling experiments give ... -
Mechanism of the Catalytic Hydrodefluorination of Pentafluoropyridine by Group Six Triangular Cluster Hydrides Containing Phosphines: A Combined Experimental and Theoretical Study
American Chemical Society (2010-12-21)The catalytic hydrodefluorination (HDF) of pentafluoropyridine in the presence of arylsilanes is catalyzed by the tungsten and molybdenum(IV) cluster hydrides of formula [M3S4H3(dmpe)3]+, W-1+ for M = W and Mo-1+ for M = ... -
Metallic behavior in STO/LAO heterostructures with non-uniformly atomic interfaces
Elsevier (2020)The search for new and low-power switching devices involving the integration of semiconductor thin films is of interest, and has led to renewed research because such devices may exhibit innovative properties. Here, ... -
Method development and validation for the determination of selected endocrine disrupting compounds by liquid chromatography mass spectrometry and isotope pattern deconvolution in water samples. Comparison of two extraction techniques
Royal Society of Chemistry (2016)In the present work two different extraction methodologies have been developed and validated for the determination of t-octylphenol and a technical mixture of nonylphenol (both, priority substances of EU water policy) and ... -
Micelar liquid chromatographic determination of carbaryl and 1-Naphthol in water, soil, and vegetables
Hindawi Publishing Corporation (2012)A liquid chromatographic procedure has been developed for the determination of carbaryl, a phenyl-N-methylcarbamate, and its main metabolite 1-naphthol, using a C18 column (250mm×4.6mm) with a micellar mobile phase and ... -
Micellar enhanced chromatographic separation of selected hazardous chemical present in hair dye and their detection in formulations and swab, including assessment of damage caused to cuticle of hair shaft
Elsevier (2023-07-10)Hydroquinone (HQ), resorcinol (RS), m-aminophenol (m-AMP) and p-phenylenediamine (p-PPD) are aromatic compounds which are generally used in hair dyes to provide different colours to hair. In European Union the concentrations ... -
Micellar liquid chromatography as a sustainable tool to quantify three statins in oral solid dosage forms
Elsevier (2023-04-20)A method based on micellar liquid chromatography has been developed to determine rosuvastatin, lovastatin and simvastatin in oral solid dosage forms. Samples were solved in mobile phase up to the target concentration, ... -
Micellar liquid chromatography determination of rivaroxaban in plasma and urine. Validation and theoretical aspects
Elsevier (2019-04)A Micellar Chromatographic method to determine rivaroxaban in plasma and urine has been developed. The samples were dissolved in the mobile phase (SDS 0.05 M – 1-propanol 12.5%, phosphate buffered at pH 7) and 20 μL directly ... -
Micellar liquid chromatography for the determination of some less prescribed benzodiazepines
Hindawi Publishing Corporation (2012)A simple chromatographic procedure is reported for the determination of some less prescribed but equally important benzodiazepines (Clotiazepam, clozapine and pinazepam) in serum. The optimization studies have been made ... -
Micellar Liquid Chromatography Recent Advances and Applications
Hindawi Publishing Corporation (2012-01)A practical liquid chromatographic method has been developed for the selective determination of the levels of spermine in anchovy sauce after derivatization with 3,5 dinitrobenzoyl chloride. The micellar liquid chromatographic ... -
Microwave-Driven Hexagonal-to-Monoclinic Transition in BiPO4: An In-Depth Experimental Investigation and First-Principles Study
American Chemical Society (2020-06-01)Present theoretical and experimental work provides an in-depth understanding of the morphological, structural, electronic, and optical properties of hexagonal and monoclinic polymorphs of bismuth phosphate (BiPO4). Herein, ...