Estudo químico-computacional da reatividade de aziridinona e diaziridinona através de cálculos semi-empíricos

The results of semiempirical molecular orbital calculations performed on aziridinone and diaziridinone employing the MNDO, AM1, and PM3 molecular models are presented. The AM1 method, which best reproduces ground-state molecular properties, is used to calculate electronic parameters and the use of these parameters for the evaluation of reactivity is discussed.

A utilização do safrol, principal componente químico do óleo de sassafráz, na síntese de substâncias bioativas na cascata do ácido araquidônico: antiinflamatórios, analgésicos e anti-trombóticos

In this paper we describe the results of a research effort developed in Laboratório de Avaliação e Síntese de Substancias Bioativas (LASSBio, UFRJ) in the utilization of Brazilian abundant natural product, safrole (1), the principal chemical constituent of Sassafras oil (Ocotea pretiosa), as an attractive synthon to access different chemical class of bioactive compounds, as prostaglandins analogues, non-steroidal antiinflammatory agents and antithrombotic compounds.

Processo químico industrial de extração de óleo vegetal: um experimento de química geral

In this study we describe an experimental procedure based on a chemical industrial process of soya-bean oil extraction applied in general chemistry for undergraduate students. The experiment was planned according to the Science, Technology and Society (STS) approach to teach basic chemical concepts and provide grounding in the management of environmental care. The use of real life chemistry problems seems to salient the relevance of chemistry to our students and enhances their motivation to learn both the practical and theoretical components of the discipline.

O perfil profissional do químico frente às novas realidades das organizações industriais

The objective of this paper is to reflect about the professional profile required of chemists by the chemical industry employing new management practices. This paper includes: a) historical synthesis of the appropriation of chemical knowledge by the industrial sector, b) a discussion of today's industrial organization and a comparison between the professional profile of chemists as expected by the taylorist and fordist standards of production and that expected in the context of flexibilization and globalization of production.

Terpenos com atividade inseticida: uma alternativa para o controle químico de insetos

Many substances from different sources have been used by men for decades to control insects. After the 2nd World War, the use of inorganic compounds have declined drastically and natural products, as well as synthetic derivatives, have been widely used instead. The search for natural alternatives have improved the development of bench top bioassays and an array of synthetic approaches for known and novel natural products that shows relevant activities as feeding supressors and deterrents. The studies concerning mode of action and environmental impact of these substances, that may be biodegradable and selective for undesired insects, had led to the evaluation and discovery of a number of molecules, mostly terpenoids and alkaloids, that are well reported as candidates for inseticidal compounds that could be an effective alternative for insects control with a lower impact on human health, household animals and the environment.

Eletrodeposição de irídio em tubo de grafite como modificador químico permanente em espectrometria de absorção atômica

A tubular electrochemical flow-cell for iridium deposition on the inner surface of pyrolytic graphite tube for permanent chemical modification is proposed. A transversal heated graphite tube was used as working electrode, a cylindrical piece of graphite inserted into the graphite tube as auxiliary electrode, and a micro Ag/AgCl(sat) as reference electrode. Iridium solution in 1.0 mol L-1 HCl, flowing at 0.55 mL min-1 for 60 min was used to perform the electrochemical modification. The applied potential to the flow-cell was - 0.700 V vs Ag/AgCl. Scanning electron microscopy images were taken for thermal and electrochemical modified graphite surface in order to evaluate the iridium distribution. Selenium hydride trapping was used to verify the performance of the proposed permanent chemical modifier.

Laboratório químico-prático do Rio de Janeiro: primeira tentativa de difusão da Química no Brasil (1812- 1819)

Until the present date, historians of science have described inaccurately the first laboratory created in Brazil for establishing and divulging Chemistry, namely the "Laboratório Químico-Prático do Rio de Janeiro". During recent research carried out in the Arquivo do Museu Imperial (Petrópolis, RJ), I localized a document entitled "Ensaio histórico analítico das operações do Laboratório Químico-Prático do Rio de Janeiro", which allowed me to gain the relevant information to correct some of the observations made in the first chronicles.

A formação do Químico

Training of highly qualified personnel is the most transversal axis among those identified in the document "Mobilizing Axes in Chemistry", published by SBQ, in 2002, which demands to deep the discussions, initiated in the symposium "The Chemist's Education", whose main objective was to discuss the repercussions of that training in the teaching and in the industrial section. After the publication of an initial paper, a couple of meetings and workshops held in Rio de Janeiro, in December 2003, involving the national chemist community, discussed the "The role of the graduate degrees in the Chemist's Education" and "The Chemist's Education", and confirmed the need to invest in the formation of qualified human resources in profusion and in all levels. Actions to be taken were delineated. Presently, the graduate programs in Chemistry are showing expressive results. However, although these professionals are mostly absorbed by the academy (the absorption of the industry is less significant), only a few programs give special attention to the didactical and pedagogical training. The regional decentralization is actually a tendency in most programs, but the interaction academy-economic activities is still a challenge. It is necessary to establish with the industrial section, the highly qualified professional's profile in Chemistry that the industry can absorb. The undergraduation is growing in number and quality, however still excessively concentrated in the Southeast area. The national "Curricula Guidelines" for Chemistry Courses, through its flexible approach, propitiate the integral, interdisciplinary (non compartmentalized) and critical-reflexive training of the professionals as citizens and as entrepreneurs. However, deficiencies are still recognized. The evaluation system of undergraduate courses has been able to identify the most fragile modalities of courses and other indicators. It was also verified that Brazilian chemistry industry absorbs minimally the highly qualified professionals, which is attributed to the fact that the Federal Council of Chemistry is vertically organized and does not recognize the graduate degrees as professional qualification. In the conclusion, it stands out, among other aspects, the importance of the effective implantation of the national curricula guidelines, bringing out courses whose didactical and pedagogical projects may offer a solid formation in Chemistry, but comprehensive and general enough to enable the Chemistry professionals to develop varied skills.

Estudo químico e perfil cromatográfico das cascas de Aspidosperma parvifolium A. DC. ("pau-pereira")

Four known alkaloids, uleine, epiuleine, apparicine and desmethyluleine, besides the isoprenoids lupeol and stigmasterol were isolated from the stem bark of Aspidosperma parvifolium. Their identification was based on spectroscopic analysis (UV, IR, ¹H-NMR, 13C-NMR, MS). The chromatographic profile of the ethanolic extract was obtained by HPLC and uleine, epiuleine and apparicine were identified in the extract.

Estudo eletroquímico e químico-quântico da oxidação do antidepressivo tricíclico amitriptilina

This work presents the electrochemical and quantum chemical studies of the oxidation of the tricyclic antidepressant amitriptyline (AM) employing a carbon-polyurethane composite electrode (GPU) in a 0.1 mol L-1 BR buffer. The electrochemical results showed that the oxidation of AM occurs irreversibly at potentials close to 830 mV with the loss of one electron and one proton and is controlled by reagent and product adsorption. According to the PM3 results, the atom C16 is the region of highest probability for the oxidation of AM since it has the largest charge variation.

A graduação em química: um novo químico para uma nova era

The discussions sponsored by the Brazilian Chemical Society, over the past five years, intending to produce a chemistry agenda with perspectives and needs for the next decade for the country, have involved the national chemistry community and several related sectors of Brazilian society. Chemistry education has been the theme throughout these discussions. It is known that the low level of basic and secondary education and the recent increase in high school courses and institutions adversely affect the quality of undergraduate teaching. The recent national "Curriculum Guidelines" for Chemistry Courses, through their flexible approach, encourage the integral, interdisciplinary (non compartmentalized) and critical-reflexive training of professionals as citizens and as entrepreneurs. However, deficiencies are still recognized. The system of undergraduate course evaluation has identified the most fragile modalities of the courses and other indicators. Also, it has been verified that the Brazilian chemistry industry absorbs only minimally the highly qualified professionals, which is attributed to the fact that the Federal Council of Chemistry is vertically organized and does not recognize the graduate degrees as professional qualifications. In conclusion, the importance of the effective implantation of the national curriculum guidelines is apparent, among other aspects, highlighting courses whose didactical and pedagogical projects may offer a solid formation in Chemistry. However, at the same time the guidelines are comprehensive and general enough to enable the chemistry professionals to develop varied skills.

Inovação tecnológica e produção no setor químico

Innovation is the main tool for competitiveness and growth in the chemical sector and the main factors for innovation activities in industry as well as the innovation dynamics are discussed in this paper. Success indicators of innovation in Oxiteno are the following: 54% of the current production derives from RD&E projects, 11% of the gross margin in the internal market is due to new products, the company is a technology licensor, holding 17 patents and keeping a strong participation in the production and service sales in the high technology catalysts area, beyond its core petrochemicals and surfactants area.

A indústria de processamento químico no Brasil: suas motivações para pesquisa e desenvolvimento e suas interfaces com as políticas governamentais

As the Chemical Science is an experimental one a Chemical Industry require technical people in all its staff level: from Directors and Managers to Operators. This chemical and chemical engineering based education is the foundation of the innovate process and motivation. The paper discusses this and the role of Public Policies to improve the R&D and innovation in the Brazilian Chemical Industry.

Desempenho físico-químico de metais e estruturas de concreto de redes de distribuição de energia: estudo de caso na região de Manaus

The influence of natural aging furthered by atmospheric corrosion of parts of electric transformers and materials, as well as of concrete poles and cross arms containing corrosion inhibitors was evaluated in Manaus. Results for painted materials, it could showed that loss of specular gloss was more intensive in aliphatic polyurethane points than in acrylic polyurethane ones. No corrosion was observed for metal and concrete samples until 400 days of natural aging. Corrosion in steel reinforcement was noticed in some poles, arising from manufacturing faults, such as low cement content, water/cement ratio, thin concrete cover thickness, etc. The performance of corrosion inhibitors was assessed by many techniques after natural and accelerated aging in a 3.5% saline aqueous solution. The results show the need for better chemical component selection and its concentration in the concrete mixture.