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A theoretical study on cytosine tautomers in aqueous media by using continuum models
(Elsevier B.V., 2000-02-04)
B3LYP/6-31 + + G** and MP2/6-31 + + G** calculations have been carried out to study six tautomers of the nucleic acid base cytosine in aqueous media. Solvent effects have been analyzed using the self-consistent reaction ...
A theoretical study on cytosine tautomers in aqueous media by using continuum models
(Elsevier B.V., 2000-02-04)
B3LYP/6-31 + + G** and MP2/6-31 + + G** calculations have been carried out to study six tautomers of the nucleic acid base cytosine in aqueous media. Solvent effects have been analyzed using the self-consistent reaction ...
Mutations of triad determinants changes the substrate alignment at the catalytic center of human ALOX5.
(American Chemical Society, 2019-10)
For the specificity of ALOX15 orthologs of different mammals the geometry of the amino acids Phe353, Ile418, Met419 and Ile593 (?triad determinants?) is important and mutagenesis of these residues altered the reaction ...
Design of a genetically stable high fidelity coxsackievirus B3 polymerase that attenuates virus growth in vivo
(American Society for Biochemistry and Molecular Biology Inc., 2016)
Positive strand RNA viruses replicate via a virally encoded RNA-dependent RNA polymerase (RdRP) that uses a unique palm domain active site closure mechanism to establish the canonical two-metal geometry needed for catalysis. ...
Análise estrutural de complexos metálicos derivados do ácido 4-amino-2-hidroxibenzóico
(Universidade Federal de Minas GeraisUFMG, 2012-07-27)
In this work have been performed structural elucidation and electronic investigations of two new coordination complexes derived from the 4-amino-2-hidroxybenzoic acid, where the studied ions were Zn2+ and Cu2+. In these ...
NMR Spectroscopic Parameters of Molecular Systems with Strong Hydrogen Bonds
(American Chemical Society, 2010-07)
A series of closed H-bonded molecules that have (or not) delocalized bonds were studied. The dependence of both NMR spectroscopic parameters σ and J-couplings, and also the energy stability of such molecules with H-bond ...
The C-terminal extension of bacterial flavodoxin-reductases: Involvement in the hydride transfer mechanism from the coenzyme
(Elsevier Science, 2014-01)
To study the role of the mobile C-terminal extension present in bacterial class of plant type NADP(H):ferredoxin reductases during catalysis, we generated a series of mutants of the Rhodobacter capsulatus enzyme (RcFPR). ...
Synthesis, spectroscopic characterization and biological analysis of a new palladium(II) complex with methionine sulfoxide
(Elsevier B.V., 2007-04-01)
A new palladium(II) complex with methionine sulfoxide was synthesized and characterized by a set of chemical and spectroscopic techniques. Elemental and mass spectrometry analyses of the solid complex fit to the composition ...
Synthesis, spectroscopic characterization and biological analysis of a new palladium(II) complex with methionine sulfoxide
(Elsevier B.V., 2007-04-01)
A new palladium(II) complex with methionine sulfoxide was synthesized and characterized by a set of chemical and spectroscopic techniques. Elemental and mass spectrometry analyses of the solid complex fit to the composition ...
Síntese de novos derivados do heterociclo tetrazol para uso em química de coordenação e catálise heterogênea
(Universidade Tecnológica Federal do ParanáCuritibaBrasilCurso de Bacharelado em QuímicaUTFPR, 2015-12-01)
The tetrazole heterocycle has been studied in a more emphatic way during the last two decades because it can be applied in many areas such as agriculture, medicine, biochemistry, photography, explosives, and so on. It is ...