Listar Artículos (Química Física) por agencia financiadora "Junta de Andalucía"
Mostrando ítems 1-20 de 65
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A coupled EXAFS-molecular dynamics study on PuO
(American Chemical Society, 2022)The physicochemical properties of the monovalent actinyl cations, PuO2+and NpO2+, in water have been studied by means of ...
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A general study of actinyl hydration by molecular dynamics simulations using ab initio force fields
(AIP Publishing, 2019-03)A set of new ab initio force fields for aqueous [AnO2] 2+/+ (An = Np(VI,V), Pu(VI), Am(VI)) has been developed using the ...
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A hydrated ion model of [UO2]2+ in water: Structure, dynamics, and spectroscopy from classical molecular dynamics
(AIP Publishing, 2016-12)A new ab initio interaction potential based on the hydrated ion concept has been developed to obtain the structure, ...
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A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: The case of the highly active metal/CeOx/TiO2(110) catalysts
(AIP Publishing, 2010-03)The structural and electronic properties of CeOx species supported on the rutile TiO2 110 surface have been examined by ...
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Ab initio group model potentials including electron correlation effects
(AIP Publishing, 2000-10)A method for determination of ab initio group model potentials, with the intention of describing the effects of a whole ...
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Adsorption and activation of CO2 on Pt/CeOx/TiO2(110): Role of the Pt-CeOx interface
(Elsevier, 2021)The adsorption and dissociation of CO2 on TiO2(110), CeOx/TiO2(110) and Pt/CeOx/TiO2(110) surfaces has been examined using ...
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Au@16-pH-16/miR-21 mimic nanosystem: An efficient treatment for obesity through browning and thermogenesis induction
(Elsevier, 2024-02)Despite the abundance of registered clinical trials worldwide, the availability of effective drugs for obesity treatment ...
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Bimetallic Intersection in PdFe@FeOx-C Nanomaterial for Enhanced Water Splitting Electrocatalysis
(Wiley-Blackwell, 2022)Supported Fe-doped Pd-nanoparticles (NPs) are prepared via soft transformation of a PdFe-metal oraganic framework (MOF). ...
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Binding of DNA by a dinitro-diester calix[4]arene: Denaturation and condensation of DNA
(Elsevier, 2015)A study of a dinitro-diester calix[4]arene (5,17-(3-nitrobenzylideneamino)-11,23-di-tert-butyl-25,27-diethoxycarbonyl ...
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Chitosan biofilms: Insights for the selective electromembrane extraction of fluoroquinolones from biological samples
(Elsevier, 2021-09-22)A selective electromembrane extraction procedure for the extraction of Enrofloxacin, Marbofloxacin and Flumequine, usually ...
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Citrate and Polyvinylpyrrolidone Stabilized Silver Nanoparticles as Selective Colorimetric Sensor for Aluminum (III) Ions in Real Water Samples
(MDPI, 2020)The use of silver nanoparticles stabilized with citrate and polyvinylpyrrolidone as a sensor for aluminum ions determination ...
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Coulometer from a Digitally Controlled Galvanostat with Photometric Endpoint Detection
(Multidisciplinary Digital Publishing Institute (MDPI), 2022)In this work, a coulometer was developed from a digitally controlled galvanostat. A simple colorimeter based on a RGB LED ...
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Cytochrome c lysine acetylation regulates cellular respiration and cell death in ischemic skeletal muscle
(Springer Nature, 2023)Skeletal muscle is more resilient to ischemia-reperfusion injury than other organs. Tissue specific post-translational ...
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Effect of Basicity on the Hydrolysis of the Bi(III) Aqua Ion in Solution: An Ab Initio Molecular Dynamics Study
(American Chemical Society, 2018-02-22)Hydrolysis of the Bi(III) aqua ion under a range of solution conditions has been studied by means of ab initio molecular ...
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Effects of the capping ligands, linkers and oxide surface in the electron injection mechanism of copper sulfide Quantum Dots sensitized solar cells
(Royal Society of Chemistry, 2017)Because of the different components that constitute a quantum dots solar cells, QDSCs, and the difficulty of experimentally ...
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Electric-Field-Driven Molecular Recognition Reactions of Guanine with 1,2-Dipalmitoyl- sn- glycero-3-cytidine Monolayers Deposited on Gold Electrodes
(American Chemical Society, 2019-06-21)Monolayers of 1,2-dipalmitoyl-sn-glycero-3-cytidine were incubated with guanine in a 0.1 M NaF electrolyte at the surface ...
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Electrochemical characterization of a mixed lipid monolayer supported on Au(111) electrodes with implications for doxorubicin delivery
(Elsevier, 2018-04-15)The cationic lipid didodecyldimethylammonium bromide (DDAB) is one of the agent that is included in formulations for ...
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Electrostatics affects formation of Watson-Crick complex between DNA bases in monolayers of nucleolipids deposited at a gold electrode surface
(Elsevier, 2021)Chronocoulometry was applied to determine charge in a monolayer of nucleolipid (1,2-dipalmitoyl-sn‑glycero-3-(cytidine ...
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Enantioselective synthesis of 4-amino-3,4-dihydrocoumarins and their non-cyclic hydroxyester precursors: Biological evaluation for the treatment of glioblastoma multiforme
(Elsevier, 2022)The stereoselective addition of ethyl acetate enolate to the C═N bond of N-tert-butylsulfinylimines has been investigated ...
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Enzyme-like activity of cobalt-MOF nanosheets for hydrogen peroxide electrochemical sensing
(Elsevier, 2022-10)Metal-organic frameworks (MOFs) are receiving increased attention as new functional nanomaterials for the development of ...