A regra de Bent contextualiza a força da ligação de hidrogênio em clusters trimoleculares

This article presents a theoretical study of the molecular properties of trimolecular clusters of CnHm∙∙∙HCN∙∙∙HX formed by the ϖ∙∙∙H and n∙∙∙H hydrogen bonds. The interaction strengths of these interactions are in line with the variations in s-character, and independently, the red-shift rise whether stronger or weaker bound systems are carried out. This behavior was justified via NBO analysis and supported by Bent´s rule, wherein the greater variations in s-character of X are in good agreement with larger red-shifts and vice-versa. To conclude, the refinement of the supermolecule approach and NBO binding energies also corroborate in this regard.

O que sabemos sobre os primeiros livros didáticos brasileiros para o ensino de Química

This paper deals with the Brazilian textbooks of Chemistry from the XIX century to 1930. After presenting the science and its teaching contexts in Imperial Brazil and describing the first Chemistry textbook written by a Brazilian, the state of knowledge about these prime Brazilian books is presented. These works show the texts had strengths overlooked by current materials, a fact confirmed by analyzing textbooks from three authors from the period. The study concludes by compiling a list of 50 titles of early Chemistry books to help guide future research.

2-(4-IODO-2,5-DIMETOXIFENIL)-N-[(2-METOXIFENIL)METIL]ETAMINA OU 25I-NBOME: CARACTERIZAÇÃO QUÍMICA DE UMA DESIGNER DRUG

Drug trafficking and the introduction of new drugs onto the illicit market are one of the main challenges of the forensic community. In this study, the chemical profile of a new designer drug, 2-(4-iodine-2,5-dimethoxyphenyl)-n-[(2-methoxyphenyl)methyl]etamine or 25I-NBOMe was explored using thin layer chromatography (TLC), ultraviolet-visible spectrophotometry (UV-Vis), attenuated total reflection with Fourier transform infrared spectroscopy(ATR-FTIR), gas chromatography mass spectrometry (GC-MS) and electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FT-ICR MS). First, the TLC technique was effective for identifying spots related to 25C-, 25B- and 25I-NBOMe compounds, all with the same retention factor, Rf ≈ 0.50. No spot was detected for 2,5-dimethoxy-4-bromoamphetamine, 2,5-Dimethoxy-4-chloroamphetamine or lysergic acid diethylamide compounds. ATR-FTIR preserved the physical-chemical properties of the material, whereas GC-MS and ESI-MS showed better analytical selectivity. ESI(+)FT-ICR MS was used to identify the exact mass (m/z428.1706 for the [M + H]+ ion), molecular formula (M = C18H22INO3), degree of unsaturation (DBE = 8) and the chemical structure (from collision induced dissociation, CID, experiments) of the 25I-NBOMe compound. Furthermore, the ATR-FTIR and CID results suggested the presence of isomers, where a second structure is proposed as an isomer of the 25I-NBOMe molecule.

A prova prática no processo de seleção do concurso de residência médica

Um questionário estruturado relacionado à aplicação da prova prática no processo de seleção da residência médica foi aplicado durante o XLIII Congresso Brasileiro de Educação Médica, em Natal, em 2005. As competências julgadas importantes para a avaliação da prova prática e os diferentes modelos de prova aplicados por algumas instituições foram discutidos. Foi realizada aanálise SWOT (Strengths, Weaknesses, Opportunities, and Threats), ferramenta utilizada em planejamento estratégico, para avaliação do modelo (forças e fraquezas) e de sua aplicabilidade no ambiente externo, considerando as instituições do País (oportunidades e ameaças). Os estudantes que responderam o questionário consideraram conhecimento seguido de habilidades as competências mais importantes, enquanto atitude e comportamento ético foram considerados pelos preceptores de residentes. A maioria dos participantes considerou que o modelo de prova deveria ser regionalizado, apesar de isto conflitar com as diretrizes curriculares. A prova presencial com pacientes e o modelo que utiliza recursos de multimídia foram considerados os de mais fácil reprodução. Conclui-se que a forma de aplicação da prova prática como processo de seleção de médicos residentes, apesar de relevante, apresenta fragilidades e precisa ser amplamente discutida.