Listar QFA_Articles por título
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A micellar liquid chromatography method for the quantification of abacavir, lamivudine and raltegravir in plasma
Elsevier (2014-09)An analytical methodology based on micellar liquid chromatography has been developed to quantify abacavir, lamivudine and raltegravir in plasma. These three antiretroviral drugs are prescribed as a set in highly active ... -
A Molecular Modeling Approach to Identify Novel Inhibitors of the Major Facilitator Superfamily of Efflux Pump Transporters
MDPI (2019)Multidrug efflux systems play a prominent role in medicine, as they are important contributors to bacterial antibiotic resistance. NorA is an efflux pump transporter from the major facilitator superfamily that expels ... -
A novel micellar chromatographic procedure for the determination of metanil yellow in foodstuffs
Royal Society of Chemistry (2015)A simple, sensitive, rapid and eco-friendly liquid chromatographic method was developed for the detection of a non-permitted food colour metanil yellow in raw as well as cooked foodstuffs. Metanil yellow (3-(4-anilinophenylazo) ... -
A novel ozone gas sensor based on one-dimensional (1D) α-Ag2WO4 nanostructures
Royal Society of Chemistry (2014-01)This paper reports on a new ozone gas sensor based on α-Ag2WO4 nanorod-like structures. Electrical resistance measurements proved the efficiency of α-Ag2WO4 nanorods, which rendered good sensitivity even for a low ozone ... -
A Novel Strategy to Study Electrostatic Effects in Chemical Reactions: Differences between the Role of Solvent and the Active Site of Chalcone Isomerase in a Michael Addition
American Chemical Society (2012)The electrostatic behavior of active site residues in enzyme catalysis is quite different from that of water molecules in solution. To highlight the electrostatic differences between both environments, we propose a QM/MM ... -
A QM/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH
Elsevier (2011-11)Serumtransferrin (sTf) transports iron in serum and internalizes in cells via receptor mediated endocytosis. Additionally, sTf has been identified as the predominant aluminum carrier in serum. Some questions remain unclear ... -
A QM/MM study of the reaction mechanism for the 3′-processing step catalyzed by HIV-1 integrase
Elsevier (2009)Integrase (IN) is one of the three human immunodeficiency virus type 1 enzymes (HIV-1) essential for effective viral replication. This viral enzyme is involved in the integration of HIV DNA into host chromosomal DNA. In ... -
A QM/MM study on the origin of retro-aldolase activity of a catalytic antibody
The Royal Society of Chemistry (2021-04-26)The retro-aldolase mechanism of methodol catalysed by the catalytic antibody 33F12 is described based on the exploration of the free energy landscape obtained with QM/MM methods. The amino acids involved in the reaction ... -
A quantum mechanic/molecular mechanic study of the wild-type and N155S mutant HIV-1 integrase complexed with diketo acid
(2008)Integrase (IN) is one of the three human immunodeficiency virus type 1 (HIV-1) enzymes essential for effective viral replication. Recently, mutation studies have been reported that have shown that a certain degree of viral ... -
A Quantum Mechanics / Molecular Mechanics Study of the Protein-Ligand Interaction of two potent inhibitors of human O-GlcNAcase: PUGNAc and NAG-thiazoline
American Chemical Society (2008)O-glycoprotein 2-acetamino-2-deoxy-β-D-glucopyranosidase (O-GlcNAcase) hydrolyzes 2-acetamido-2-deoxy-β-D-glucopyranose (O-GlcNAc) residues of serine/threonine residues of modified proteins. O-GlcNAc is present in many ... -
A rapid and reliable assay to determine flumequine, marbofloxacin, difloxacin, and sarafloxacin in commonly consumed meat by micellar liquid chromatography
Wiley (2018-10)BACKGROUND: Micellar liquid chromatography – fluorescence detection was used to determine the antibiotics flumequine, marbofloxacin, difloxacin, and sarafloxacin in porcine, bovine, poultry, ovine, caprine, rabbit, and ... -
A relationship between structural and electronic order–disorder effects and optical properties in crystalline TiO2 nanomaterials
Royal Society of Chemistry (2015)The focus of this paper is on the analysis of the structural and electronic order–disorder effects at long, medium and short ranges of titanium dioxide (TiO2) nanoparticles synthesized by the sol–gel process followed by ... -
A reliable analytical approach based on gas chromatography coupled to triple quadrupole and time-of-flight mass analyzers for the determination and confirmation of polycyclic aromatic hydrocarbons in complex matrices from aquaculture activities
Wiley-Blackwell (2009)The potential of gas chromatography coupled to tandem mass spectrometry (GC/MS/MS) with a triple quadrupole analyzer (QqQ) has been investigated for the quantification and reliable identi- fication of sixteen polycyclic ... -
A review on development of analytical methods to determine monitorable drugs in serum and urine by micellar liquid chromatography using direct injection
Elsevier (2016)Therapeutic drug monitoring is a common practice in clinical studies. It requires the quantification of drugs in biological fluids. Micellar liquid chromatography (MLC), a well-established branch of Reverse Phase-High ... -
A scalable electron beam irradiation platform applied for allotropic carbon transformation
Elsevier (2021-04-15)The design of solid-state materials whose properties and functions can be manipulated in a controlled manner by the application of electron beam irradiation is important in modern materials chemistry and physics. In this ... -
A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dots
Elsevier (2021)A computational model is presented to calculate the ground state energy of neutral and charged excitons confined in semiconductor quantum dots. The model is based on the variational Quantum Monte Carlo method and effective ... -
A supramolecular hydrogel as a reusable heterogeneous catalyst for the direct aldol reaction
Royal Society of Chemistry (2009)An L-proline based supramolecular hydrogel is used as an efficient heterogeneous organocatalyst for the direct aldol reaction with high stereoselectivity (up to 90% ee) and recyclability (up to 3 runs). The reversible ... -
A survey based on the use of imidacloprid on green leafy vegetables in remotely located Sagar, India
National Institute of Science Communication and Information Resources (2022-02)The low literacy level of the vegetable growers in the selected region of India is responsible for the use of highly toxic organophosphate pesticides on green leafy vegetables. Although in the Indian market imidacloprid ... -
A Tale of Reactive Oxygen Species on the Ag3PO4(110) Surface
American Chemical Society (2023-12-07)Herein, we report a study of Ag3PO4 microcrystals in the accomplishment of their enhanced degradation process and bactericidal activity. Based on experimental results and density functional theory free energy profiles, we ... -
A theoretical and experimental investigation of hetero- vs. homo-connectivity in barium silicates
Mineralogical Society of America (2022-04)Barium silicates may be found in contact aureoles and are used in several important technologies (e.g., LEDs). The BaO-SiO2 system stabilizes 13 crystalline phases with different silicate tetrahedral and connectivity ...