Elucidating the optical properties of novel heterolayered materials based on MoTe2-InN for photovoltaic applications

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

The role of oxygen vacancies and their location in the magnetic properties of Ce1-xCuxO2-delta nanorods

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Elucidating the real-time Ag nanoparticle growth on alpha-Ag2WO4 during electron beam irradiation: experimental evidence and theoretical insights

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Nanoelectrocatalytic oxidation of lactic acid using nickel nanoparticles

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Electronic structure calculations of ESR parameters of melanin units

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Supramolecular organization-electrical properties relation in nanometric organic films

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Fingerprints of short-range and long-range structure in BaZr1-xHfxO3 solid solutions: an experimental and theoretical study

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Experimental and theoretical study on the structure, optical properties, and growth of metallic silver nanostructures in Ag3PO4

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Capacitance spectroscopy and density functional theory

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Theoretical study of the stoichiometric and reduced Ce-Doped TiO2 anatase (001) surfaces

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Conformational changes of the HsDHODH N-terminal microdomain via DEER spectroscopy

The human enzyme dihydroorotate dehydrogenase (HsDHODH) has been studied for being a target for development of new antineoplasic and antiproliferative drugs. The synthetic peptide N-t(DH) represents the N-terminal microdomain of this enzyme, responsible for anchoring it to the inner mitochondrial membrane. Also, it is known to harbor quinones that are essential for enzyme catalysis. Here we report structural features of the peptide/membrane interactions obtained by using CD and DEER spectroscopic techniques, both in micelles and in lipid vesicles. The data revealed different peptide conformational states in micelles and liposomes, which could suggest that this microdomain acts in specific regions or areas of the mitochondria, which can be related with the control of the quinone access to the HsDHODH active site. This is the first study to report on conformational changes of the HsDHODH N-terminal microdomain through a combination of CD and DEER spectroscopic techniques.

Structural and functional insights into the conductive pili of Geobacter sulfurreducens revealed in molecular dynamics simulations

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Temperature dependence of conformational properties of short polyelectrolytes from simulations at a single temperature

We use a series expansion method introduced recently by Rickman and Phillpot (Phys. Rev. Lett. 1991, 66, 349) to study the temperature dependent conformational properties of short ionized polyelectrolyte chains in ionic solutions by conducting simulations at a single temperature. The charged beads located at the sites of a cubic lattice interact through screened Coulombic interactions. It is shown that this method provides results that correlate with other Monte Carlo simulations, performed over a range of temperatures, where conformational transitions induced by thermal and screening effects occur. It is also shown that the method can be used successfully when the potential is weakly dependent on temperature. © 1994 American Chemical Society.

Jogo digital e analogias: uma proposta para o ensino de Cinética Química

Pós-graduação em Educação para a Ciência - FC

Development and validation of the quantitative analysis of ceftazidime in powder for injection by infrared spectroscopy

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)