Espectrofotometria multicanal e arranjos de fotodiodos

This paper describes some aspects of multichannel spectrophotometry, principles of photodiode arrays and their applications in Analytical Chemistry.

Adaptações em forno de microondas doméstico para utilização em laboratório

Domestic microwave oven was modified for laboratory applications. Electronic system was made for controlling magnetron irradiation time. Exhaustion and air circulation systems were installed to clean the internal oven atmosphere during operation. The cavity walls were coated with aluminized thermal paint to avoid chemical corrosion. These modifications allowed the usage of the oven for drying and processes using reflux.

Síntese de catalisadores Ziegler-Natta: algumas rotas e suas dificuldades

The Ziegler-Natta catalyst and the polymerization thereof are systems which require careful handling and special treatment of chemicals. In spite of the use of inert atmosphere and dry chemicals, some Ziegler-Natta systems may present low activities or even may deactivate because of unsuitable handling. Some features of the TiCl3 synthesis and its characterization when related to the presence of impurities are described. Evidences of poor handling of chemicals and/or laboratory devices while in synthesis of the catalyst are emphasized. The problems arising from butadiene polymerization and some relevant details in propylene polymerization are also presented with teaching objectives.

Estudio estructural del MoO3 y sus planos cristalinos

In the present work we present geometric models of the most studied MoO3 surfaces, which were obtained using the DTMM 2.0 Molecular Modeller software. MoO3 has an orthorhombic layered structure, with each layer comprised of two interleaved planes of MoO6 octahedral. These layers are parallel to the (010) crystal plane and only oxygen ions are exposed on their surfaces. This situation results in weak van der Waals bonding between layers and in a relatively inert surface. In our approach to surface geometric structure we consider "ideal" crystal surface, in which the bulk atomic arrangement is maintained. These surfaces were generated by imaginary cleavage along appropriate planes in the bulk crystal structure.

Alguns aspectos históricos da classificação periódica dos elementos químicos

A history of the periodic table of the elements is presented, from the first tentative classifications, passing through Meyer and Mendeleev, up to recent speculations on super-heavy elements still to be synthesized. Many of the discussions and discoveries related to chemical elements and their proper periodic classification are also presented.

Estudos de QSAR baseados em dados de atividade biológica obtidos por microcalorimetria: III interação de m-alcoxifenóis e p-hidroxibenzoatos de alquila com Escherichia coli

QSAR studies based on flow microcalorimetric bioassay data for interaction of homologous series of m-alkoxyphenols and p-hydroxybenzoates with E. coli cells were carried out applying factorial design. Results for both series showed a linear relationship between log(dose)max and log Po/w. Analysis of these data allows the identification of contributions toward the derived bioactivity from the parent structures (the molecule minus n-CH2 groups present in the side-chain) and the lipophilic groups, CH2. These results are discussed with respect to drug quantitative structure-relationship.

Aplicação de modelo matemático às propriedades reológicas de géis mistos de agarose e de goma guar

Certain biopolymers are capable of forming physically cross-linked gels in aqueous medium, stabilized by forces such as Coulombic, charge transfer, hydrogen bonding, dipole-dipole, van der Waals, and hydrophobic interactions. The mathematical description of these physical networks are difficult, but should contribute to a better understanding of the gelling process. The Clark and Ross-Murphy model was applied to experimental data for agarose-guar gum mixed systems, in which only agarose is the gelling polysaccharide. A computational routine based on the statistical maximum likehood principle was employed to estimate the f, K and a characteristic parameters. Statistical t-test and F-test were used to analyse the set of parameters.

Um fotômetro de fluxo para análises clínicas a base de um diodo emissor de luz bicolor

The construction and evaluation of an inexpensive flow photometer for clinical analysis, using a bicolour LED and a phototransistor adapted for tubular flow cell, are described. The instrument presents some new features such as: automatic zero, electronic calibration and peak-hold signal. When compared with a classical photometer, it is simpler and has the advantages of a flow analysis system: lower volumes of reagents and samples, lower levels of contamination, shorter time for analysis and lower analysis costs. The instrument was used in the determination of the constituents in blood samples. The results obtained agree with those obtained by a classical photometer and the precision was better.

Propriedades espectroscópicas Ab initio dos dímeros de van der waals Ne2 e Ar2

Results of high level ab initio calculations of the intermolecular potentials and theoretical dispersion coefficients for the Ne2 and Ar2 dimers were utilized to build analytical potentials for these species. The obtained potentials were used in the calculation of the dimers rovibrationals levels, and their respective spectroscopic constants determined. A comparison of high level experimental data with our theoretical results shows a very good agreement for Ne2, and also a good agreement for the Ar2 dimer.

Estudo microcalorimétrico da interação de tensoativos n-alquil-sulfato de sódio com tripsina a 298 k

Systematic study of the interactions of ionic surfactants with protein trypsin in buffer solution pH 3.5, 7.0 and 9.0, ionic strength 10 mM at 298 K was done using the microcalorimetric technique. In this study, anionic surfactant solutions of the sodium n-alkyl sulfates series (C8, C10, C12 and C14) were used. The enthalpy of interaction (ΔintHº) shows that the interaction of the surfactants C8, C10, C12 and C14 with trypsin in the solution pH 3.5 is an endothermic process with the value of ΔintHº decreasing linearly with increasing carbon chain length, which is attributed to the unfolding of the polypeptide chain. In the solution pH 7.0, we observed the same trend except for C14. In the solution pH 9.0, from C10 the enthapy of interaction didn't change with the increasing of the carbon chain length due to unfolding of the polypeptide. We concluded that when trypsin is folded, the enthalpy of interaction shows a linear relationship with the surfactant's hydrophobicity, in agreement with Traube's rule.

Modelando a coordenação de fosfato com o sítio ativo das fosfatases ácidas púrpuras

We present a new binuclear complex, Fe2III(BBPMP)(OH)(O2 P(OPh)2) ClO4.CH3OH, 3, where BBPMP is the anion of 2,6-bis(2-hydroxybenzyl)(2-pyridylmethyl) aminomethyl-4-methylphenol, as a suitable model for the chromophoric site of purple acid phosphatases coordinated to phosphate. The complex was obtained by the reaction of complex 2, Fe2III(BBPMP)(O2P(OPh) 2)2 ClO4.H2O, in CH3CN with one equivalent of triethylamine. Based on the chromophoric properties of the model complex, lmax = 560 nm/ e = 4480 M-1 cm-1/Fe2 compared to the enzyme coordinated to phosphate, we can speculate about a possible mechanism of fixing this oxyanion by the oxidized form of the enzymes.

Estereosseletividade em reações eletródicas

This review discusses the present state of the art of the stereochemistry of electrochemical reactions. The extent of asymmetric induction is progressing, but in general diastereoselectivities and enantioselectivities remain behind those from chemical synthesis. In recent years, new methodological developments have been successful. Effects that play important roles in homogeneous chemistry have been used with success. Lack of expressive enantiomeric excess (ee) could be related to the absence of tightly organized structures during the reaction of interest. The highest ee might be expected for redox reactions where conformational preference in transition state plays the important role or for the ones performed while adsorbed on the electrode, and where the chiral element is also at the surface, either adsorbed or chemically bound to the surface and interacting directly with the substrate. Electroenzymatic synthesis has a promising future.

Alcalóides alquilpiridínicos de esponjas marinhas

The chemistry of alkylpyridine alkaloids originating from marine sponges is comprehensively reviewed, with emphasis on their natural occurrence, methods for their isolation, spectroscopic characterization, biological activities e chemical synthesis. A likely chemotaxonomic role is suggested, as markers for sponges of the Order Haplosclerida (Demospongiae).

Remediação de efluentes derivados da indústria de papel e celulose: tratamento biológico e fotocatalítico

The contribution of the industrial activities to the environmental contamination phenomena is evident. Great efforts are dedicated to the establishment of methodologies which permits an adequate treatment of the produced effluents, as a manner of minimizing the environmental impact of these wastes. The methodologies based on photocatalytic processes are very promise alternatives, because permits degradation of a great number of chemical substances of high toxic potential, without the use of other chemicals. The present work is an overview about the principal environmental aspects related with the paper and cellulose industry and the main alternatives employed for the reduction of environmental impact produced for its residues. The principal results of the photocatalytic treatment of this kind of effluents using metallic semiconductors is also showed.