Modelos para dispersão Raman em polímeros conjugados

Raman dispersion refers to the dependence of the position of Raman bands on the energy of the exciting radiation. In this work, the three main models currently used to explain this phenomenon (Conjugated Length Model, Amplitude Mode Model and Effective Conjugation Coordinate Model) are discussed. Raman dispersion is a consequence of pi electron delocalization, but each model describes in a different way how pi electron delocalization affects the position of Raman bands. Here the features, qualities and problems of the three models are highlighted.

Modelos contínuos do solvente: fundamentos

Continuum solvation models are nowadays widely used in the modeling of solvent effects and the range of applications goes from the calculation of partition coefficients to chemical reactions in solution. The present work presents a detailed explanation of the physical foundations of continuum models. We discuss the polarization of a dielectric and its representation through the volume and surface polarization charges. The Poisson equation for a dielectric was obtained and we have also derived and discuss the apparent surface charge method and its application for free energy of solvation calculations.

LS-SVM: uma nova ferramenta quimiométrica para regressão multivariada. Comparação de modelos de regressão LS-SVM e PLS na quantificação de adulterantes em leite em pó empregando NIR

Least-squares support vector machines (LS-SVM) were used as an alternative multivariate calibration method for the simultaneous quantification of some common adulterants found in powdered milk samples, using near-infrared spectroscopy. Excellent models were built using LS-SVM for determining R², RMSECV and RMSEP values. LS-SVMs show superior performance for quantifying starch, whey and sucrose in powdered milk samples in relation to PLSR. This study shows that it is possible to determine precisely the amount of one and two common adulterants simultaneously in powdered milk samples using LS-SVM and NIR spectra.

Aplicação de Zr/Ti-PILC no processo de adsorção de Cu(II), Co(II) e Ni(II) utilizando modelos físico-químicos de adsorção e termodinâmica do processo

The aim of this investigation is to study how Zr/Ti-PILC adsorbs metals. The physico-chemical proprieties of Zr/Ti-PILC have been optimized with pillarization processes and Cu(II), Ni(II) and Co(II) adsorption from aqueous solution has been carried out, with maximum adsorption values of 8.85, 8.30 and 7.78 x10-1 mmol g-1, respectively. The Langmuir, Freundlich and Temkin adsorption isotherm models have been applied to fit the experimental data with a linear regression process. The energetic effect caused by metal interaction was determined through calorimetric titration at the solid-liquid interface and gave a net thermal effect that enabled the calculation of the exothermic values and the equilibrium constant.

A gestão integrada de resíduos sólidos urbanos - perspectiva ambiental e económico-energética

The importance of urban solid waste integrated systems is characterized by the several components of these systems, which are, basically, formed by physical, chemical and biological methods. This article, characterizes these methods and, which is also important, identifies the several and potential environmental impacts of those techniques. It's also extremely important to make a study of the economic rentability of those infrastructures and, also, characterize the quantitative energetic contributions of some components of these systems. This study was analysed and their results are presented in this article.

A formação em Química discutida com base nos modelos proposto por estudantes de pós-graduação para o fenômeno de dissolução

Mental models play an important role in the evolution of an individual's so-called knowledge. Using such representations, students can explain, foresee, and attribute causality to observed phenomena. In the case of Chemistry, the ability to work mentally with models assumes great importance, due to the microscopic component that is characteristic of this science. With the objective of exploring students' ability to work with models, 27 students of the Chemistry Institute of UNESP were asked to describe the mechanisms of dissolution, in water, of NaCl, HCl and HCN, as well as the partial dissolution of I2. Due to difficulties of access to complex descriptors of these processes, each student was asked to explain the phenomena using words and drawings. The results of these investigations were analyzed, and enabled construction of a framework representing the Chemistry students' theoretical training, especially with respect to their most important transferred skill: an ability to model the physical world.

Polissacarídeos da biodiversidade brasileira: uma oportunidade de transformar conhecimento em valor econômico

A brief comment about general characteristics of polysaccharide was presented. Brazilian trade of polysaccharides was obtained from the "Ministério de Desenvolvimento, Indústria e Comércio Exterior" - Brazil. A list of these products was prepared and their price and amount analyzed in the period of 1998-2007. Some chemical properties and application of polysaccharides from our biodiversity was described. In this review they were classified by origin, in vegetal (exudate, seed, fruit, seaweed), animal and bacteria source. There is a trade deficit that can be reverted if part of the accumulated scientific knowledge was used to promote the national economic development in the field.

Modelos da Química Quântica no espaço de momento: diferentes representações de um mesmo sistema

The conventional approach to simple quantum chemistry models is contrasted with that known as momentum representation, where the wavefunctions are momentum dependent. Since the physical interactions are the same, state energies should not change, and whence the energy differences correlating with the real world as spectral lines or bands. We emphasize that one representation is not more fundamental than the other, and the choice is a matter of mathematical convenience. As spatial localization is rooted in our brains, to think in terms of the momentum present us a great mental challenge that can lead to complementary perspectives of a model.

Fitoprodutos e desenvolvimento econômico

Natural products have been, historically, very important for Brazil. Coffee, sugar and soy were some examples that prove this economical significance. A project that involves phytoproducts should be guide by three main axis: agriculture management for the plants; pharmaceutical; support the national industry and academy. In Brazil, pharmaceutical products contribute negatively to the commerce balance showing an enormous technological dependence in this economical sector. The consolidation of the phytoproduct's chain in Brazil could contribute for the development of the pharmaceutical sector in order to help all domains in natural products area.

A formação inicial em química baseada em conceitos representados por meio de modelos mentais

The current legislation determines that the chemist must have a solid comprehension about chemical concepts. Literature presents the concept of mental model, which is determinant to the learning of phenomena and concepts. This paper presents some mental models that students of the Chemistry course at UFSCar have about chemical concepts. A lot of incoherence was observed in student's mental models, which is an evidence that there are problems in the learning of chemistry education.