Lines of Research

Catalysis

The research line in Catalysis aims the preparation and characterization of catalysts materials for application in various chemical processes. The main types of catalysts studied are acid-base catalysis, metal catalysts or supported metal oxides and mass catalysts.

Spectrometry / Spectroscopy

The line of research in Spectrometry / Spectroscopy is oriented to the development of experimental methodology and applications of Nuclear Magnetic Resonance (NMR) in chemical and chemical chemistry problems, as well as Mass Spectrometry (EM) in the fragmentation modeling and functional organic materials applications. The NMR developing techniques include selective excitation methodologies using DANTE, pulse trains measurement of long-range heteronuclear coupling constants and their use in conformational analysis and molecular modeling, as well as method for measuring nuclear relaxation. The main application of NMR is in the determination of the mechanisms of biological activity of drugs through the study of interactions with biomolecules (proteins, DNA, membranes, etc.) and in the use of this information in the design and evaluation of new bioactive compounds. MS studies include high-performance liquid chromatography coupled with high resolution gas chromatography and mass spectrometry , with electron impact ionization, MALDI and electronspray. The main applications are in essential oils, toxins, mapping radiation  of chemical modifications in irradiated foods and polymers.

Molecular Modeling

The line of research in Molecular Modeling includes the use of various programs such as GROMACS, Gaussian, Autodock, Molegro, Spartan, Gamess, Pymol, VMD, etc. in protein structure and DNA drugs studies. The relationship between tertiary structures and enzyme activity generated through homology modeling, and the topology of active sites is used in molecular dynamics simulations in order to elucidate mechanisms of action in drugs, with emphasis on  drug-biomolecule and drug-membrane interaction models. In addition, Theoretical and Computational Chemistry involves the development of new programs in addition to the use of public and commercial programs. In this aspect, the research involving: energy materials, in particular the studies on molecular and explosive and propellants properties, magnesium oxide (MgO) agglomerates for deactivation of orgonophosphates, Microwave effects in heterogeneous catalysis investigation, research on spectroscopy of excited states.

Organic Synthesis

The line of research in Chemical Technology comprises research activities aimed at the development of chemical processes and research with potential technological application. Currently, the chemical processes are studied theoretically by using computational Fluid-Dynamics (CDF) modeling and simulation techniques in thermopile, and phenomena in gas dispersion. In this line of research are also developed works related to gunpowder and propellants synthesis and characterization, and the theory of physicochemical properties.

Síntese Orgânica

The line of research in Organic Synthesis focuses on the development and optimization synthesis of different heterocyclic with potential bioactive properties, as well as the synthesis of resin cross-linking on environmental chemistry or chemical defense. In addition with organophosphates, coordination compounds, complexing agents and potential drugs preparation. Among others, the most researched bioactive compounds are: antiparasitic (against Chagas disease, malaria and leishmaniasis), fungicides, antibiotics, pesticides, antineoplastics and organophosphate poisoning antidotes.