Síntese de complexo ferro(II)-nitrogênio: abordagem dos conceitos de reatividade e retro-doação para alunos de graduação em química

There has been a considerable interest in coordination complexes of molecular nitrogen (N2), partly due to a possible relationship between such complexes and the nitrogen activation process in nature. The present paper describes the synthesis and infrared spectroscopic characterization of an iron-nitrogen derivative with ethylenediamine-N,N,N',N'-tetraacetate (edta) as an experiment for an undergraduate course. The topics covered here include synthesis, reactivity and spectroscopy.

Avaliação das variáveis analíticas do método de Folin-Ciocalteu para determinação do teor de taninos totais utilizando como modelo o extrato aquoso de folhas de psidium guajava L.

The main analytical variables of a modified Folin-Ciocalteu method were studied by UV-Vis and gradient HPLC-PDA methods, using purified (PC) and technical grade (TGC) casein. Rutin and an aqueous extract of Psidium guajava L. leaves were used as models. The best results were ascribed to TGC. Certainly PC bonds the polyphenols of the P. guajava extract better than TGC, but TGC afforded better precision. A lack of specificity occurred when rutin was analyzed together with the P guajava extract. Additional analyses performed with the flavonoid fraction of P. guajava extract by HPLC-PDA had confirmed that casein was able to bind catechin, gallic acid and P. guajava flavonoids in a non-specific way.

Estudo da capacidade de complexação e sua relação com algumas variáveis ambientais em cinco represas do Rio Tietê/Brasil

The copper and cadmium complexation properties in natural sediment suspensions of reservoirs of the Tietê River were studied using the solid membrane copper and cadmium ion-selective electrodes. The complexation and the average conditional stability constants were determined under equilibrium conditions at pH=6.00 ± 0.05 in a medium of 1.0 mol L-1 sodium nitrate, using the Scatchard method. The copper and cadmium electrodes presented Nernstian behavior from 1x10-6 to 1x10-3 mol L-1 of total metal concentration. Scatchard graphs suggest two classes of binding sites for both metals. A multivariate study was done to correlate the reservoirs and the variables: complexation properties, size, total organic carbon, volatile acid sulfide, E II and pH.

Avaliação da filtração e ozonização de efluente sanitário primário: aspectos de inativação microbiana e variáveis de ozonização

Ozonation tests with and without prior filtration by means of a 50 micron mesh cartridge filter were conducted with primary sanitary effluents. Filtration led to increased inactivation efficiencies with regard to total and thermotolerant coliforms but it did not seem to influence heterotrophic plate count (HPC) bacteria inactivation efficiencies significantly. Application of the Chick-Watson model to experimental data obtained in the situation of constant inactivation showed that the ozone dosage was more important to bacterial inactivation than the contact time with regard to the cases of thermotolerant coliform inactivation in filtered samples and HPC bacteria and total coliform inactivation in non-filtered samples.

Conceitos de química dos ingressantes nos cursos de graduação do Instituto de Química da Universidade de São Paulo

A diagnostic instrument was developed to evaluate the basic chemistry concepts held by freshmen students of the three Chemistry undergraduate courses offered by the University of São Paulo. The instrument minimizes the use of algorithms or memorization by students and values high-order cognitive skills. Analysis of the students' performances reveals systematic use of "displacement reaction" as an algorithm and a mechanical use of Le Chatelier's Principle. Failure in comprehending the chemical equation and chemical language drives students to alternative models for chemical reactions in aqueous solution. For instance, reaction would occur between "ionic pairs" and/or between species situated in separate compartments.

Calor e trabalho: são estes conceitos invariantes sob a permuta sistema-vizinhança?

It is argued that the invariants associated to the First Law of Thermodynamics and to the concept of identical processes lead to a clear definition of heat and work. The conditions for heat and work to be invariant under a system-surroundings interchange are also investigated. Finally, examples are presented to illustrate the above conditions.

A química orgânica na consolidação dos conceitos de átomo e molécula

The present work discusses the appearance of the concepts of valence and molecular structure, and describes the appropriation and evolution of the concept of molecule in the period following the publication of Avogadro's Hypothesis. The point of reference is the development of what became known as Organic Chemistry, which encompassed Pharmacy, Physiological Chemistry, Animal and Plant Chemistry, Chemistry of Dyestuffs, Agricultural Chemistry, and the fledgling Organic Synthesis industry in the early 19th century. The theories formulated in these areas and the quest for accurate atomic weights led to those concepts of valence and molecular structure and to a precise differentiation between atom and molecule.

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.

Uso de modelagem molecular no estudo dos conceitos de nucleofilicidade e basicidade

Molecular modeling enables the students to visualize the abstract relationships underlying theoretical concepts that explain experimental data on the molecular and atomic levels. With this aim we used the free software "Arguslab 4.0.1" (semi-empirical method) to study the reaction of 1-chloropropane with ethoxide in solution, known to lead to methyl propyl ether, through the S N2 mechanism, and propene, through the E2 mechanism. This tool allows users to calculate some properties (i. e. heat formation or electric charges) and to produce 3D images (molecular geometry, electrostatic potential surface, etc.) that render the comprehension of the factors underlying the reaction's progress, which are related to the structure of the reagents, and the process kinetic clearer and easier to understand by the students

O ensino superior de química: reflexões a partir de conceitos básicos para a química orgânica

We live in a context in which knowledge develops continuously and rapidly. This generates a social dynamics that demands constant adaptation from those living in society and also from educational institutions. Education for this new society needs to be rethought. Universities, anchored in tradition, still use a transmission/reception model of education. A data-collecting instrument applied to undergraduate chemistry students at the end of the course in organic chemistry investigated some concepts essential to the education of a chemist, such as interatomic and intermolecular interactions and Lewis structure. We observed that students have difficulty dealing with these concepts, and we believe that this is related to the type of class they had/have and to the way the concepts are presented in the college textbooks.

Reações multicomponentes de Biginelli e de Mannich nas aulas de química orgânica experimental: uma abordagem didática de conceitos da química verde

The introduction of Mannich and Biginelli multicomponent reactions in a practical Organic Chemistry course is presented in this article. Procedures described in the literature were adapted for use under the simple conditions available in undergraduate laboratories and were selected on the basis of Green Chemistry principles and practicality of synthesis. The reactions are easy to carry out and all products are readily isolated as crystalline solids with yields ranging from moderate to high.

O Estado da arte da cromatografia líquida bidimensional: conceitos fundamentais, instrumentação e aplicações

The constant evolution of science and the growing demand for new technologies have led to new techniques in instrumentation that can improve detection, separation, resolution, and peak capacity. Comprehensive two-dimensional liquid chromatography (LC×LC) is presented as a powerful tool in complex sample analyses. During an analysis, a sample is subjected to two independent separation mechanisms that are combined, resulting in increased resolving power. For appropriate application of LC×LC, understanding the influence of parameters that require optimization is necessary. The main purpose of optimization is to predict the combination of stationary phases, separation conditions, and instrumental requirements to obtain the best separation performance. This review discusses theoretical, intrumental, and chemometric aspects of LC×LC and focuses on its applications in foods. It aims to provide a clear understanding of the aspects that can be used as strategies in the optimization of this analytical method.

REDUÇÃO DE VARIÁVEIS DE ENTRADA DE REDES NEURAIS ARTIFICIAIS A PARTIR DE DADOS DE ANÁLISE DE COMPONENTES PRINCIPAIS NA MODELAGEM DE OXIGÊNIO DISSOLVIDO

The objective of this work is to demonstrate the efficient utilization of the Principal Components Analysis (PCA) as a method to pre-process the original multivariate data, that is rewrite in a new matrix with principal components sorted by it's accumulated variance. The Artificial Neural Network (ANN) with backpropagation algorithm is trained, using this pre-processed data set derived from the PCA method, representing 90.02% of accumulated variance of the original data, as input. The training goal is modeling Dissolved Oxygen using information of other physical and chemical parameters. The water samples used in the experiments are gathered from the Paraíba do Sul River in São Paulo State, Brazil. The smallest Mean Square Errors (MSE) is used to compare the results of the different architectures and choose the best. The utilization of this method allowed the reduction of more than 20% of the input data, which contributed directly for the shorting time and computational effort in the ANN training.

Efeito de diferentes variáveis na infetividade de estirpes fracas do Papaya ringspot virus em plantas de melancia

Este trabalho teve como objetivo inicial selecionar uma estirpe fraca do Papaya ringspot virus - type W (PRSV-W) de bolhas de folhas de melancia (Citrullus lanatus) com mosaico. A infetividade dessa estirpe, PRSV-W-3, em plantas de melancia foi comparada com a das estirpes fracas PRSV-W-1 e PRSV-W-2, previamente selecionadas de bolhas de folhas de abobrinha de moita (Cucurbita pepo) cv. Caserta com mosaico. Além do efeito da origem da estirpe fraca na infetividade de plantas de melancia, avaliaram-se, ainda, os efeitos da concentração do inóculo, da espécie da planta fonte do inóculo e da idade da planta de melancia inoculada. Como controle, foi utilizada uma estirpe severa do vírus obtida de abobrinha de moita (PRSV-W-C). A avaliação do efeito da concentração e da espécie da planta fonte do inóculo foi feita com extratos de quatro, oito, 12 e 16 discos de folhas de abobrinha de moita e de melancia, infetadas separadamente com as estirpes fracas e severa, e diluídos em 2 ml de tampão fosfato. O efeito da idade da planta-teste de melancia foi estudado comparando-se plantas inoculadas em três estádios de desenvolvimento, com inóculos das estirpes do PRSV-W extraídos de 12 discos foliares/2 ml de tampão. Em todos os testes de infetividade, independente da concentração do inóculo, da planta fonte do inóculo e do estádio de desenvolvimento da planta-teste, a estirpe fraca PRSV-W-3 apresentou taxas de infetividade semelhantes as das estirpes PRSV-W-1 e PRSV-W-2, chegando a 100% em alguns casos. A infetividade da estirpe severa PRSV-W-C foi de 100%. A infetividade das três estirpes fracas está mais diretamente associada à intensidade de fricção das folhas no momento da inoculação do que às outras variáveis estudadas.

Variáveis climáticas associadas à incidência de mofo-cinzento em eucalipto

Com base em dados de infecção natural avaliou-se a incidência do mofo-cinzento, causado por Botrytis cinerea, em 14 clones de Eucalyptus spp. em relação às condições climáticas predominantes em um viveiro clonal localizado em Belo Oriente, Minas Gerais. A temperatura máxima, mínima e média, precipitação pluviométrica e umidade relativa do ar foram coletadas entre 1991 e 2004. A incidência da doença foi avaliada mensalmente em 2004 em todas as fases de produção de mudas clonais de eucalipto. A presença do patógeno foi avaliada na água coletada do efluente de fertirrigação. A incidência do mofo-cinzento correlacionou-se melhor e negativamente com a temperatura máxima. Os resultados indicaram que a temperatura máxima é a variável a ser monitorada para fins de previsão da doença, a qual apresenta alto risco de incidência quando a temperatura máxima registrada for inferior a 27 ºC. Dentre os 14 clones propagados em 2004, o clone 957 (híbrido de Eucalyptus urophylla) apresentou menor incidência da doença, sob condições de infecção natural. Observou-se que o fungo encontra-se comumente associado a mudas de eucalipto e que o desenvolvimento da epidemia é regulado por temperaturas amenas, uma vez que, condições de alta umidade relativa e presença de água livre no hospedeiro ocorrem constantemente, em virtude das freqüentes irrigações requeridas para produção de mudas. Constatou-se que a água reutilizada, coletada no efluente de irrigação, contém inóculo do patógeno.