Estudos químicos e biológicos de Microgramma vacciniifolia (Langsd. & Fisch.) Copel (Polypodiaceae)

Chemical studies with aerial parts of Microgramma vacciniifolia (Langsd. & Fisch.) Copel. afforded ²-sitosterol, hopan-22-ol, 6-metoxiapinenin-7-O-²-D-allopyranoside and a mixture containing ethyl esters of carboxilic acids. The structures of the coumpounds were elucidated by spectroscopy and GC-MS analysis. The total phenolics contents of the crude extract and fractions were determined by Folin-Ciocalteau method. The antioxidant activity was evaluated using the 2,2-diphenyl-1-picrylhydrazyl (DPPH). The AcOEt fraction showed better activity in DPPH assay (9.9 ± 0.03 µg/mL), and presented also higher contents of the total phenolic (93.60 ± 1.11 µg/mg). Antimicrobial and allelopathic effects of the crude etanolic extract and fractions also were evaluated. In addition, the combination of biological activities was discussed.

Traçadores: o uso de agentes químicos para estudos hidrológicos, ambientais, petroquímicos e biológicos

This paper presents a revision of the history, definitions, and classification of tracers (natural and artificial, internal and external). The fundamental ideas concerning tracers are described, followed by their application illustrated by typical examples. The advantages and disadvantages of five classes among the most frequently used external tracers (fluorescent, microbial, chemical, radioactive and activable isotopes) are also described in detail. This review also presents some interesting and modern applications of tracers in the areas of diagnostics in medical practice, environmental pollution, hydrology and petroleum chemistry.

Líquido iônico [bmim.PF6] como solvente: um meio conveniente para estudos por fotólise por pulso de laser

The spectroscopic behavior of thioxanthone and benzil (diphenylethanedione or dibenzoyl) in the ionic liquid [bmim.PF6] has been investigated employing the laser flash photolysis technique. Triplet-triplet absorption spectra for these carbonyl compounds in [bmim.PF6] are similar to those observed in organic solvents. The triplet lifetime for thioxanthone in desogygenated samples is very long (71 μs), whereas in oxygen-saturated solution is 500 ns, which indicates the low oxygen solubility in this solvent. For benzil, lifetimes of 10 μs in [bmim.PF6] and 3.8 μs in acetonitrile were obtained. The decay for triplet thioxanthone and benzil follows a clear first order kinetics in [bmim.PF6], from which one can conclude that triplet-triplet annihilation is not an important decay process in this solvent.

Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana

Alzheimer's disease (AD) is considered the main cause of cognitive decline in adults. The available therapies for AD treatment seek to maintain the activity of cholinergic system through the inhibition of the enzyme acetylcholinesterase. However, butyrylcholinesterase (BuChE) can be considered an alternative target for AD treatment. Aiming at developing new BuChE inhibitors, robust QSAR 3D models with high predictive power were developed. The best model presents a good fit (r²=0.82, q²=0.76, with two PCs) and high predictive power (r²predict=0.88). Analysis of regression vector shows that steric properties have considerable importance to the inhibition of the BuChE.

Propriedades químico-quânticas empregadas em estudos das relações estrutura-atividade

In this work we show that structure-activity relationship studies are of great importance in modern chemistry and biochemistry. In order to obtain a significant correlation, it is crucial that appropriate descriptors be employed. Thus, quantum chemical calculations are an attractive source of new molecular descriptors which can, in principle, express all the electronic and geometric properties of molecules and their interactions with the biological receptor.

Síntese, caracterização e estudos de interação de um análogo da antitoxina CcdA empregando fluorescência no estado estacionário

Toxin-antitoxin (TA) systems contribute to plasmid stability by a mechanism called post-segregational killing. The ccd was the first TA system to be discovered with CcdB being the toxin and CcdA the antitoxin. CcdA, an 8.3 kDa protein, interacts with CcdB (11.7 kDa), preventing the cytotoxic activity of CcdB on the DNA gyrase. As an approach to understanding this interaction, CcdA41, a polypeptide derived from CcdA, was synthesized by solid-phase methodology and its interaction with CcdB was analyzed by steady state fluorescence. CcdA41 formed a stable complex with CcdBET2, a peptide based on CcdB, the more recently described bacterial topoisomerase inhibitor.

Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica

This paper describes 2D-QSAR and 3D-QSAR studies against Candida albicans and Cryptococcus neofarmans for a set of 20 bisbenzamidines. In the studies of 2D-QSAR with C. albicans it was obtained a correlation between log MIC-1 and lipolo component-Z (r² = 0.68; Q² = 0.51). In the case of C. neofarmans a correlation between log MIC-1 and lipolo component-Z and of Balaban index (r² = 0.85; Q² = 0.6) was obtained. 3D-QSAR studies using CoMFA showed that the steric fields contributed more to the predicted activities for Candida albicans (94.9%) and Cryptococcus neofarmans (97.9%).

Estudos fotoluminescentes em compostos de íons terras raras coordenados por um derivado carbazólico

[RE(czb)3(H2O)2] complexes (where RE = Eu3+, Tb3+, Gd3+; and czb = 4-(9H-carbazol-9-yl)benzoato) have been synthesized and characterized. The Gd3+ complex was used to determine the triplet state energy of the czb ligand. Photoluminescence measurements of the complexes have been carried out under UV excitation. The Tb3+ complex exhibited a strong green luminescence indicating an efficient antenna effect, whereas the Eu3+ complex showed low red luminescence and the Gd3+ complex a blue-green luminescence from the ligand. The luminescence lifetimes and quantum yields have also been measured for the evaluation of the spectroscopic behavior of the complexes.

Flotação da mistura argila-quartzo com surfactantes e estudos de pilarização

Clay is often employed as a catalyst, but quartz impurities can decrease the catalytic efficiency. Fine particles of clay can be purified by flotation. We examined the cationic surfactant hexadecyltrimethylammonium bromide (HTAB), the anionic sodium dodecyl sulfate (SDS) and the non-ionic TRITON X-100 for separating the quartz impurities from clay. Using X-ray diffraction, the separation was monitored for changes in the peaks corresponding to clay and quartz. Cationic surfactant HTAB was most effective in separating the quartz-clay mixture and the selectivity can be explained by internal adsorption of the surfactant onto the clay and external adsorption onto the quartz.

Estudos de biodegradação de óleo diesel por consórcio microbiano coletado em Porto Velho - RO, amazônia

The goal of this research was to evaluate the biodegradation of diesel by a microbial consortium collected in a region close to distributors of fuel. The experiments were monitored by SPME-GC-FID and SPME-GC-MS. The consortium showed a high potential for production of biosurfactants, presenting an emulsification index of 53%. The consortium degraded completely n-alkanes, while dimethylnaphtalene, hepthyl-cyclohexane and 2,6,10-trimethyl-undecane were partially degraded and pristane was not degraded. From this consortium five strains were isolated and identified as Acinetobacter baumannii. Based on this initial investigation this consortium appears to be effective for bioremediation in Porto Velho - RO region.

Remoção dos corantes azul brilhante, amarelo crepúsculo e amarelo tartrazina de soluções aquosas utilizando carvão ativado, terra ativada, terra diatomácea, quitina e quitosana: estudos de equilíbrio e termodinâmica

This work compared activated carbon, activated earth, diatomaceous earth, chitin and chitosan to removal acid blue 9, food yellow 3 and FD&C yellow nº 5 dyes from aqueous solutions with different pH values (2-10). In the best process condition for each dye, equilibrium studies were carried out at different temperatures (from 298 to 328 K) and Langmuir, Freundlich, Redlich-Peterson, Temkin and Dubinin-Radushkevich models were fitted with experimental data. In addition, entropy change, Gibbs free energy change and enthalpy change were obtained in order to verify the thermodynamic adsorption behavior.

Desenvolvimento de microcélula eletroquímica para estudos de microrregiões

The construction and optimization of a device that can be applied to electrochemical studies in flat micro regions are described. This was developed as an attempt to study small regions of metallic samples, whose properties may differ completely from its macroscopic behavior and for studies in highly resistive medium. Some results were obtained for individual grains of polycrystalline samples, welded regions, pure copper, platinum, glassy carbon, single crystals of Cu-Zn-Al alloy, and steel in biodiesel without electrolyte intentionally added. The device showed to be useful for the proposed purpose, allowing to be automated and has potential possibilities of other applications.

Estudos de QSAR 2D baseados em descritores topológicos e fragmentos moleculares para uma série de derivados azólicos ativos contra Candida albicans

Azole derivatives are the main therapeutical resource against Candida albicans infection in immunocompromised patients. Nevertheless, the widespread use of azoles has led to reduced effectiveness and selection of resistant strains. In order to guide the development of novel antifungal drugs, 2D-QSAR models based on topological descriptors or molecular fragments were developed for a dataset of 74 molecules. The optimal fragment-based model (r² = 0.88, q² = 0.73 and r²pred = 0.62 with 6PCs) and descriptor-based model (r² = 0.82, q² = 0.79 and r²pred = 0.70 with 2 PCs), when analysed synergically, suggested that the triazolone ring and lipophilic properties are both important to antifungal activity.

Preparação, caracterização e estudos de biodegradação de blendas à base de PDLLA e PVP

Poly(D,L-lactide), PDLLA, is a polymer with potential applications in medical, environmental, and pharmaceutical areas. Despite its versatility, the hydrophobicity limits its applications. To overcome this problem, one strategy is the preparation of blends with hydrophilic polymers such as poly(vinylpyrrolidone), PVP. In this study, we report the preparation and characterization of blends based on PDLLA and PVP and the biodegradation studies by the Sturm test. It was observed that the components of the blends PDLLA/PVP are thermodynamically immiscible, however the biodegradation is faster than that of pure PDLLA.

Estudos quimiométricos da pheo formulada em pluronics®: ação fotodinâmica Sobre Artemia salina

The self-aggregation of pheophytin, a possible photosensitizer for Photodynamic Therapy, is solved by formulation in polymeric surfactant as P-123. The photosensitizer incorporation was found to be time dependent, exhibiting two steps: a partition at the micellar interface followed by an incorporation into the micelle core. The photodynamic efficiency of the formulation was tested by the bioassays against Artemia salina. In order to evaluate how the experimental parameters: pheophytin concentration, P-123 percentage and illumination time influenced the death of artemia, the factorial design 2³ was chosen. The illumination time was found to be the main factor contributing to the mortality of artemia.