Comparação do perfil químico entre cachaças de um mesmo vinho destiladas em alambiques e em colunas

Six wines were distilled in two different distillation apparatus (alembic and column) producing 24 distillates (6 for each alembic fraction - head, heart and tail; 6 column distillates). The chemical composition of distillates from the same wine was determined using chromatographic techniques. Analytical data were subjected to Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) allowing discrimination of four clusters according to chemical profiles. Both distillation processes influenced the sugarcane spirits chemical quality since two types of distillates with different quantitative chemical profiles were produced after the elimination of fermentation step influence.

Nanotubos de TiO2 dopados com nitrogênio: comparação das atividades fotocatalíticas de materiais obtidos através de diferentes técnicas

TiO2 nanotubes were synthesized by hydrothermal method and doped with three nitrogen compounds to enhance photocatalytic activity under visible light. Catalysts were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), diffuse reflectance spectroscopy (DRS) and specific surface area and pore volume determined by BET and BJH methods, respectively. Photocatalytic activity was evaluated by photodegradation of rhodamine B under visible and UV radiations. Results showed doped-nanotubes were more efficient under visible light. The best photocatalytic activity was for sample NTT-7-600/NH3I, being 30% higher than the non-doped sample.

Comparação dos métodos de determinação da estabilidade oxidativa de biodiesel B100, em mistura com antioxidantes sintéticos: aplicação do delineamento simplex-centroide com variável de processo

The Rancimat and accelerated stove tests were used to determine the oxidative stability of B100 biodiesel mixed with synthetic antioxidants. The predictive equations, with process variable, were obtained by applying a simplex-centroid design. Regardless of the antioxidant used, all assays carried out with the accelerated stove test presented storage time longer than 177.88 d, the greatest value obtained by applying the Rancimat test. The t test, applied to the parameters containing the process variable, showed a statistically significant difference (at the level of 5%) between the methods used.

Panorama de propriedade intelectual, transferência de tecnologia e inovação da química brasileira e a comparação com os países do BRIC

Based on Science, Technology & Innovation (ST&I) indicators, Brazil is a competitive and interesting country from the point of view of technological foreign investment. However, it is still incipient with regard to national investments, production of technological knowledge, inbound mobility of scientists and technology transfer to the productive sector. Among many other factors, global patent production is considered as an important indicator of innovation. Likewise, the balance between revenue and expenses obtained through royalties and licensing fees of technologies is also critical in mapping the diffusion and absorption of knowledge. The understanding of intellectual property and its strategic management brings a significant advantage to the economic and technological development of nations, especially in the field of chemistry, which greatly contributes to biotechnology, new materials and microelectronics - three fundamental areas for innovation in developed countries. Therefore, this article aims to map out competencies in chemistry in Brazil and evaluate science, technology and innovation indicators in the country, comparing this dynamic to the one of other BRIC members (Russia, India and China). Chemistry is the fourth biggest field of interest in Brazil based on the number of researchers registered at the governmental platform for researchers, Plataforma Lattes/CNPq, and is preceded by education, medicine and agronomy. The majority of research groups are registered in the area of materials, followed by macromolecules and polymers, pharmaceutical products and basic materials chemistry. These groups represent approximately 77% of research groups analyzed, therefore, indicating a tendency in the country. The analyses of patents in different sub-areas of chemistry reveal that non-residents file most deposits in the country, a probable reflection of the low internal intellectual property culture. Pharmaceutics and Fine Chemistry are prominent areas in the country, in line with the global trend. Among BRIC countries, China has the highest number of patents and of requests for protection in international offices. On the other hand, Brazil has the lowest number of chemical patents published at USPTO, EPO and JPO. An analysis of the transfer of technology data indicates an increase in this activity in various sub-areas of chemistry in the country. Despite the great efforts made by the country to consolidate its national innovation system, more needs to be done to put Brazil in a competitive position. In a globalized world dominated by large players, Brazil needs a lot of progress on ownership and generation of chemistry technologies to strengthen its national sovereignty. It is essential to strengthen chemical research at all levels, from elementary school to university, as an inexhaustible source of knowledge and technology that, when properly protected, may generate real public achievement and social return.

EXTRAÇÃO ASSISTIDA POR ULTRASSOM PARA DETERMINAÇÃO COLORIMÉTRICA DE FERRO EM SOLO: UMA COMPARAÇÃO COM ESPECTROMETRIA DE MASSA COM PLASMA INDUTIVAMENTE ACOPLADO

A simple procedure for ultrasound-assisted extraction and colorimetric determination of iron in soil samples was developed. The iron concentration in the analyzed samples was determined by the colorimetric method and the results compared with inductively coupled plasma mass spectrometry (ICP-MS). Fifteen soil samples were analyzed and the iron concentration results compared with those obtained by ICP-MS using microwave-assisted sample digestion. The proposed procedure showed good efficiency for iron extraction and the results obtained by colorimetric determination exhibited good agreement with ICP-MS. Moreover, ultrasound-assisted extraction and colorimetric determination is a simple, fast and low-cost procedure for application in routine analysis.

COMPARAÇÃO E CONSTRUÇÃO DE REATORES DE "MILD" E "HARD ANODISATION" PARA FABRICAÇÃO DE ALUMINA ANÓDICA POROSA

The mild anodization (MA) reactor is exemplified for its operational simplicity and its excellent control over the experimental parameters that are involved in the anodization process. This method provides porous anodic alumina films with a regular cell-arrangement structure. This offers a better cost-benefit ratio than the other equipment configurations that are used to fabricate nanoporous structures (i.e., ion beam lithography). Conversely, the hard anodization (HA) reactor produces oxides at a rate that is 25 to 35 times faster than the MA reactor. The produced oxides also have greater layer thicknesses and interpore distance, and with a uniform nanopore spatial order (> 1000). In contrast to MA reactors, the construction of an HA reactor requires special components to maintain anodisation at a high potential regime. Herein, we describe and compare both reactors from a technical viewpoint.

COMPARAÇÃO DE MÉTODOS POR CROMATOGRAFIA LÍQUIDA NA DETERMINAÇÃO DE MULTIRRESÍDUOS DE AGROTÓXICOS EM MORANGOS

Liquid chromatography is often used for the determination of pesticide multiresidues in foods. In Brazil, the strawberry crop is an example of a food with high levels of irregularities because of the application of pesticides. This is a major concern from the perspective of food safety, environmental protection, and certification for food export. The purpose of this study is to evaluate and compare chromatographic separation and detection methods in relation to a newly developed and validated method using ultra high performance liquid chromatography (LC) coupled with tandem mass spectrometry (MS/MS) for the analytical determination of pesticides in strawberries. The comparisons were based on evaluations of the analysis time, consumption of the solvent in the mobile phase, injection volume, detectability, matrix effect, and recovery. The results showed that the LC–MS/MS and UHPLC–MS/MS techniques were both extremely efficient at analyzing pesticide residues with different physico-chemical parameters that were present at low concentrations in a complex matrix. The UHPLC separation method provided better chromatographic performance and productivity, which contributed favorably to routine analytical determinations. Detection by MS/MS had better detectability and selectivity compared with the diode array detector.

COMPARAÇÃO DE PROCESSAMENTOS MATEMÁTICOS DE DADOS VOLTAMÉTRICOS: APLICAÇÃO NA DETERMINAÇÃO SIMULTÂNEA DE FLUOROQUINOLONAS

This paper describes a comparative study between the procedures of deconvolution and the second-order derivative of square wave voltammograms to achieve separation of the voltammetric peaks of levofloxacin (LEVO) and norfloxacin (NOR), for their simultaneous quantification in urine samples. The obtained results indicate that the use of second-derivative voltammograms coupled with carbon screen-printed electrodes is the most efficient approach for completely separating the voltammetric peaks of LEVO and NOR. In addition, this approach has produced detection limits lower than 1.0 µmol L-1 and a wide linear range for both drugs. The proposed method was successfully used to simultaneously determine LEVO and NOR in spiked human and bovine urine samples with recovery percentages close to 100% for all analyzed samples.

COMPARAÇÃO ENTRE FUNCIONAIS DE DENSIDADE NO ESTUDO DE PROPRIEDADES ELETRÔNICAS DE DERIVADOS DA ARTEMISININA

The present paper demonstrates the application of functional GGA hybrids, with long-range corrections, for the calculation of the electronic properties of artemisinin and two of its derivatives - artemether e artesunate. Due to the relatively large amount of data obtained, the statistical method of Principal Component Analysis was employed. The functionals of the WB97 family are observed to be the most appropriate for the determining of reactivity indexes, which are the principal descriptors that, probably, are associated with the antimalarial and anticancer properties of this group of molecules. In addition, it was also observed that all the functionals obtained satisfactorily describe the geometric properties of the studied.

Comparação de métodos para detecção de Bipolaris sorokiniana em sementes de cevada

O fungo Bipolaris sorokiniana, agente causal da helmintosporiose da cevada (Hordeum vulgare), sobrevive como micélio em sementes infetadas e saprofiticamente nos restos culturais de seus hospedeiros. Em experimentos conduzidos em laboratório, diferentes métodos [papel-filtro, papel-filtro + componentes líquidos do meio seletivo de Reis (MSR), batata-dextrose-ágar (BDA), extrato de tomate-ágar, V-8-ágar, meio seletivo de Reis (MSR) e meio seletivo de Dodman & Reinke] foram comparados visando selecionar o mais sensível para detecção de B. sorokiniana em sementes de cevada. Os meios foram testados com e sem congelamento das sementes. Sem congelamento, os meios seletivos foram mais sensíveis na detecção de B. sorokiniana, seguidos pelo meio de BDA. O método papel-filtro padrão ocupou uma posição intermediária, estatisticamente inferior aos demais. Sob congelamento a -20 ºC (durante 16 h), o tratamento térmico anulou o efeito dos substratos na detecção do fungo, de tal modo que todos apresentaram comportamento estatisticamente semelhante. Esse procedimento não afetou positivamente a detecção do fungo-alvo deste estudo. O meio seletivo de Reis foi mais sensível que o de papel-filtro + congelamento na detecção de B. sorokiniana em sementes com diferentes níveis de incidência.

Comparação da seqüência de nucleotídeos do gene da proteína capsidial de estirpes severas e premunizantes do Papaya ringspot virus

This study compared three mild and three severe strains of Papaya ringspot virus - type W (PRSV-W), based on nucleotide and amino acid sequences of the capsid protein (CP) gene. The CP nucleotide sequences of the mild strains shared 98% to 100% identity. When compared to the severe strains the identity ranged from 93% to 95%, except in the case of PRSV-W-2R, which resulted from reversion of the mild strains PRSV-W-2. The CP sequence of the reverting strain showed 100% identity with the sequence of its parental strain. An insertion of six nucleotides in the core region of the CP gene, which reflected the addition of two amino acids (Asn and Asp) in the deduced sequence of the protein, was found in all mild strains. These sequence comparisons were used to design strain-specific primers that were used to specifically amplify regions for either the mild or severe strains.

Comparação entre métodos de avaliação de transmissão de Pyricularia grisea através de sementes em triticale

Triticale (X. triticosecale) é o mais novo hospedeiro de Magnaporthe grisea (Pyricularia grisea), agente causal da brusone, no estado de São Paulo. Extensas áreas da cultura no sul do estado sofreram severas perdas no ano de 2001. Especula-se que sementes infetadas tenham sido de vital importância na ocorrência e disseminação do fungo. Entretanto, a transmissão do patógeno das sementes para plântulas ainda é motivo de controvérsia, tanto para brusone do arroz (Oryza sativa) como para brusone do trigo (Triticum aestivum). Um dos fatores para tal controvérsia pode estar nos métodos empregados nos diferentes estudos. O presente trabalho visou examinar a transmissão de P. grisea a partir de sementes de triticale, através de quatro diferentes metodologias, com 100% de sementes infetadas e em condições controladas de 21 °C e fotoperíodo de 12 h. Os tratamentos foram: a) sementes semeadas em solo autoclavado seco; b) sementes semeadas em solo autoclavado encharcado; c) sementes semeadas em meio ágar-água; d) sementes semeadas em papel de filtro. O delineamento estatístico foi de blocos ao acaso com quatro repetições. Os resultados demonstraram que ocorreu a transmissão do patógeno das sementes para plântulas em todos os métodos testados, com dois tipos de sintomas: morte de plântulas e sintoma nas folhas primárias sem morte de plântulas. A taxa de transmissão desses sintomas foi similar em todos os tratamentos, sugerindo que qualquer um desses pode ser usado. A utilização de sementes infetadas também proporcionou emergência de plântulas sadias, sem sintomas visíveis da brusone.

Comparação do ajuste dos modelos de morgan-mercer-flodin e de johnson-mehl-avrami na reação de precipitação na liga cu-3%al-5%ag

Em geral, os modelos de crescimento empregados na descrição de processos cinéticos do estado sólido utilizam as funções de Morgan-Mercer-Flodin (MMF) e Johnson-Mehl-Avrami (JMA). Neste trabalho comparou-se o comportamento das estimativas dos parâmetros dessas funções, em duas parametrizações, quando ajustadas aos dados experimentais de variação isotérmica da microdureza da liga Cu-3%Al-5%Ag com o tempo de envelhecimento, em cinco temperaturas diferentes. Na estimativa dos parâmetros aplicou-se o método dos mínimos quadrados à função linearizada do modelo e para o refinamento da solução, os procedimentos da regressão não linear. Foram obtidas as distribuições de freqüências das estimativas dos parâmetros, por simulação, e determinados seus erros relativos. Observou-se que, em uma das parametrizações das funções, a estimativa do parâmetro cinético apresentou maior estabilidade. Apesar dessas funções serem anteriormente consideradas distintas, verificou-se que a função de MMF é uma aproximação da função de JMA, sendo que esta, com a parametrização adequada, é a mais indicada para descrever o processo cinético considerado.

Comparação de técnicas analíticas para a extração de potássio de amostras de tecido vegetal com água e soluções ácidas concentrada e diluída

O aprimoramento dos métodos analíticos faz com que a busca por novas tecnologias rápidas, exatas e de custo reduzido estejam constantemente sendo revistas e avaliadas. O objetivo deste trabalho foi comparar três formas de extração de K (decomposição nítro-perclórica, extração com água e extração com solução diluída de HCl) de amostras da parte aérea de capim-tanzânia (Panicum maximum cv. Tanzânia) e de alfafa (Medicago sativa cv. Crioula). Os métodos de extração de K de amostras de tecido vegetal de capim-tanzânia e alfafa com solução ácida diluída ou com água apresentaram-se equivalentes ao método tradicional da decomposição nítro-perclórica e podem substituí-lo.