69 resultados para Physical organic chemistry.

em Scielo Saúde Pública - SP


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A very little known aspect of the scientific career of Regnault is his contribution to the emerging organic chemistry in the first half of the nineteenth century. The purpose of this article is not only to describe two of his most important researches in this field, as were the discovery of two series of halogenated derivates of certain organic compounds and the precise identification of some of the then recently discovered alkaloids, but also the main features that identified his research method. With the involvement in these subjects, Regnault unintentionally positioned himself in the midst of some of the polemics about the classification of organic compounds that characterized this age of science.

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This work summarizes important aspects of the chemistry of phosphate esters, with special emphasis on: i) advances in the design of enzymatic models for phosphatases; and ii) nerve agents and currently used strategies for detoxification. The physical organic chemical aspects that are responsible by the reactivity of phosphate esters are also discussed.

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The goal of this manuscript is provide to students of Chemistry and related areas an alternative experiment in which they can obtain a compound and learn to observe and interpret properties and predict organic structure by obtaining furfural from biomass. Furfural is an organic compound, obtained through acid hydrolysis of pentosans, commonly used in the chemical and pharmaceutical industries. Students are guided to get furfural through extractive procedures and chemical reactions adapted to semi-micro laboratory scale. Characterization of furfural was done by chemical tests and physical properties. Identification was accomplished by a series of spectroscopic and spectrometric techniques.

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The profile analysis of CNPq Research Productivity Fellows (PQ) in the four subfields of chemistry and in their respective specialties highlighted particularities with regard to the indicators related to the judging criteria established by the Chemistry Advisory Committee. The curricula of all 727 PQ fellows with active grants in 15/03/2013 were analyzed spanning the past10 years (2003-2013). Out of all PQ-1 fellows, researchers in the subfield of Organic Chemistry had the highest median number of articles published per year. The subfield of Analytical Chemistry qualifies a higher number of postgraduate level students in comparison to other Chemistry subfields. Furthermore, this subfield had the highest average Hirsch index among PQ-1A and PQ-1B fellows. On the other hand, Inorganic Chemistry had the highest average number of patent applications per researcher, while Physical Chemistry had the specialties with the highest citation rates per paper and the highest average impact factors per journal. In all subfields, women made up a low proportion, especially at the highest levels of PQ fellowships. Although quantitative differences in scientific output were observed among the subfields, qualitative evaluation of science output was not carried out.

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An analysis of the different activities carried out during the first twenty annual meetings (1978-1997) of the Brazilian Chemical Society (SBQ) is presented. The number of papers in the abstract book increased from around 300 in the biennium 78/79 to around 1230 in 96/97. The papers contained in the different sections of the abstract book in the 1st (1978), 10th (1987) and 19th (1996) annual meetings were grouped according to the regions of Brazil the authors' institutions were from, or abroad, and also considering whether the paper came from one institution or was a collaboration between two or more institutions. The relative contribution of the southeastern and northern regions decreased from 77% and 3.0% of the total in 1978 to 63% and 1.2% in 1996, respectively, while those of the northeastern, southern and midwestern regions increased from 12%, 4.8% and 0.6% to 15%, 13%, and 2.6%, respectively; the relative contribution of institutions from abroad also increased from 2.4% to 4.0%. Chemistry of Natural Products and Organic Chemistry decreased their relative contribution from around 55% in 1978 to around 28% in 1996, an evolution towards a more balanced development of the different areas of chemistry in Brazil.

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A new approach for teaching in basic experimental organic chemistry is presented. Experimental work goes on parallel to theoretical lectures leading to an immediate application of theoretical concepts transmitted therein. One day/week is dedicated exclusively to the organic laboratory. Reactions are proposed as problems to be solved; the student has to deduce the structure of the product on the basis of his observations, the analytical data and his mechanistical knowledge. 70 different experiments, divided in 7 thematical chapters, are presented. All experiments require the analysis and discussion of 1H and 13C NMR, IR and UV spectra. Additional questions about each reaction have to be answered by the student in his written report. Laboratory safety is garanteed by the exclusion or substitution of hazardous and toxic reagents. Microscale preparations are adopted in most cases to lower the cost of materials and the amount of waste. Recycling of many reaction products as starting materials in other experiments reduces the need for commercial reagents and allows the execution of longer reaction sequences. Only unexpensive standard laboratory equipment and simple glassware are required. All experiments include instructions for the save treatment or disposal of chemical waste.

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A procedure for the nitration of phenol in a semi-micro scale, followed by separation of the formed orto- and para-nitrophenol isomers by column chromatography, is described. All the experiment, including determination of the melting point of the isolated products, require a period of 4 hours, and it is suitable for organic chemistry laboratory undergraduate courses.

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Aromatic nitration is one of the most relevant class of reactions in organic chemistry. It has been intensively studied by both experimental, including works in the condensed as well as in the gas phase, and theoretical procedures. However, the published results do not seem to converge to an unique mechanism. Electrophilic substitution and electron transfer, in an exclusive way, are both proposed as the main mechanism for the reaction. We review these proposals and discuss the most recent findings.

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Diazocarbonyl compounds are a very important class of organic substances which have a long history of useful aplications in organic chemistry. The focus of this report deals with the use of diazocarbonyl compounds in a ariety of important reactions and their application in organic synthesis. These reactions are briefly summarized showing their broad scope.

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An overview of the developments that occurred in the field of organic chemistry in Brazil in the last 25 years is presented. These developments are briefly compared to those observed worldwide, including some modern trends. The main source of information was the annual meeting of the Brazilian Chemical Society (RASBQ) covering the period 1979-2001 and the biennial Brazilian Meeting on Organic Synthesis (BMOS). All the contributions presented at these two meetings were classified according to six main indicatives, to permit a discussion about the past, present and future activities of Organic Chemistry in Brazil.

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Caffeine extraction procedures from water soluble and water insoluble materials for preparing stimulating beverages are described. Water soluble materials used were instant tea and coffee and water insoluble materials were, among others, guaraná powder and maté leaves. The extraction of caffeine from water soluble materials, especially instant tea, is more suitable for an organic chemistry teaching laboratory than the classic experiment using tea leaves, due to the economy of time and a larger amount of extracted caffeine. The procedure is time-saving and requires only a four-hour period. The experiments illustrate the extraction process as used in undergraduate organic chemistry laboratories.

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An experiment for the synthesis of isobutylene from tert-butanol dehydratation using oxalic acid as catalyst, followed by preparations of tert-butyl benzoate and tert-butyl cinnamate is described. The synthesis are simple, requiring two periods of 4 hours and are suitable for undergraduate organic chemistry experimental courses.

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In this paper, the atom economy concepts are applied in a series of experiments during an experimental organic chemistry class, to implement "green chemistry" in an undergraduate course.

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The interest on the use of sucrose as raw material increased in the last years. In this work, the synthesis and applications of sucrose derivatives as esters, ethers, and other products are discussed in a concise manner aiming to presenting the sucrochemistry as a promising field in organic chemistry from a rather accessible, low-priced, ecological, and renewable source.

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Despite of being used as thermodynamic criterion to rank alkene stability in a number of undergraduate textbooks, the heat of hydrogenation does not describe adequately the relative stability of disubstituted alkenes. In this work, both the heat of formation and the heat of combustion were used as thermodynamic criteria to rank correctly the stability of alkenes according to the degree of alkyl substitution and also in the disubstituted series (geminal > trans > cis). An operational model based on molecular orbital and valence bond representations of hyperconjugation is proposed to show how this effect can explain the order of stability of this class of compounds.