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Antioxidant phenolic esters with potential anticancer activity: solution equili...

Machado, N. F. L.; Calheiros, R.; Gaspar, A.; Garrido, J.; Borges, F.; Marques, M. P. M.

The solution Raman pattern of a series of structurally related hydroxycinnamic and hydroxybenzoicesters (caffeates and gallates) with potential antioxidant/anticancer activity was studied, for different biologically significant concentrations. The spectra were assigned with the help of theoretical calculations in the light of previously reported experimental data for these compounds in the solid state. Evidence...


Antioxidant phenolic esters with potential anticancer activity: A Raman spectro...

Calheiros, R.; Machado, N. F. L.; Fiuza, S. M.; Gaspar, A.; Garrido, J.; Milhazes, N.; Borges, F.; Marques, M. P. M.

A Raman study of hydroxycinnamic and hydroxybenzoic esters (caffeates, ferulates and gallates) displaying antioxidant and anticancer properties was undertaken, with particular emphasis on the analysis of the effect of the ring substituents and the nature of the ester alkyl chain on their spectroscopic features. A complete assignment of the spectra was carried out for all the compounds investigated, in the light...


Theoretical study of the HS (v',,j' = 1) + O2;(v''=0,j''=1) reaction

Ballester, M. Y.; Guerrero, Y. O.; Garrido, J. D.

We report a theoretical study of the title four-atom reaction for a wide range of translational energies, considering the reactants in the ground vibrational state and also in some vibrationally excited levels of the HS radical. All calculations have employed the quasi-classical trajectory (QCT) method and a reported double many-body expansion potential energy surface for ground electronic state of HSO2. Cross ...


Voltammetric Oxidation of Drugs of Abuse II. Codeine and Metabolites

Garrido, J. M. P. J.; Delerue-Matos, C.; Borges, F.; Macedo, T. R. A.; Oliveira-Brett, A. M.

The oxidation of codeine on glassy carbon electrodes has been studied in detail using differential pulse voltammetry. The results obtained using a glassy carbon electrode clearly show a much more complex oxidation mechanism than that previously reported when platinum and gold electrodes were used. To clarify the codeine oxidative profile, several metabolites and analogues of this alkaloid, codeine N-oxide, norc...


Voltammetric Oxidation of Drugs of Abuse I. Morphine and Metabolites

Garrido, J. M. P. J.; Delerue-Matos, C.; Borges, F.; Macedo, T. R. A.; Oliveira-Brett, A. M.

A detailed study of the electrochemical oxidative behavior of morphine in aqueous solution is reported. Through the synthesis of several metabolites and derivatives, pseudomorphine, morphine N-oxide, normorphine, dihydromorphine and 2-(N,N-dimethylaminomethyl)morphine, and their voltammetric study it was possible to identify the oxidation peaks for morphine. The anodic waves are related with the oxidation of ph...


Voltammetric Oxidation of Drugs of Abuse III. Heroin and Metabolites

Garrido, J. M. P. J.; Delerue-Matos, C.; Borges, F.; Macedo, T. R. A.; Oliveira-Brett, A. M.

The oxidative behavior of heroin in aqueous solution is reported. In order to identify its oxidation peaks, several metabolites, 6-monoacetylmorphine, 3-monoacetylmorphine and norheroin, were synthesized and their electrochemical behavior studied using differential pulse voltammetry. The anodic waves observed for heroin correspond to the oxidation of the tertiary amine group and its follow-up product (secondary...


Oxidative behaviour of apomorphine and its metabolites

Garrido, J. M. P. J.; Delerue-Matos, C.; Borges, M. F. M.; Macedo, T. R. A.; Oliveira-Brett, A. M.

The metabolism of apomorphine is quite complex due to interactions with proteins and other tissue components that affect its pharmacokinetic profile. The electrochemical oxidation mechanism of apomorphine and of some synthesised apomorphine derivatives was studied. It was found to be related to the reaction of o-diphenol and tertiary amine groups and strongly dependent on pH. ; http://www.sciencedirect.com/s...


Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of V...

Garrido, J. D.; Caridade, P. J. S. B.; Varandas, A. J. C.

The vibrational relaxation processes occurring during collisions of vibrationally excited O2 and OH are investigated using the quasiclassical trajectory method and a realistic double many-body expansion (DMBE I) potential energy surface for ground-state HO3. A salient feature is the observation of multiquanta deactivation processes for such high internal energies. It is also shown that the vibrational relaxatio...


Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 2. Influence of R...

Caridade, P. J. S. B.; Zhang, L.; Garrido, J. D.; Varandas, A. J. C.

The effect of reactants vibrational and rotational excitation on products (HO2 + O and O3 + H) formation is investigated for the title reaction by using the quasiclassical trajectory method and the realistic double many-body expansion (DMBE) potential energy surface for ground-state HO3. It is shown that it can be a potential source of ozone in the upper atmosphere. ; http://dx.doi.org/10.1021/jp004308o


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    Financiadores do RCAAP

Fundação para a Ciência e a Tecnologia Universidade do Minho   Governo Português Ministério da Educação e Ciência Programa Operacional da Sociedade do Conhecimento União Europeia