Comparação entre métodos compostos no cálculo de afinidades por próton e elétron em sistemas moleculares

The CBS-4M, CBS-QB3, G2, G2(MP2), G3 and G3(MP2) model chemistry methods have been used to calculate proton and electron affinities for a set of molecular and atomic systems. Agreement with the experimental value for these electronic properties is quite good considering the uncertainty in the experimental data. A comparison among the six theories using statistical analysis (average value, standard deviation and root-mean-square) showed a better performance of CBS-QB3 to obtain these properties.

Head Space Solid Phase Micro-Extraction (HS - SPME) of volatile organic compounds produced by Sporidiobolus salmonicolor (CBS 2636)

The aim of the present study was the assessment of volatile organic compounds produced by Sporidiobolus salmonicolor (CBS 2636) using methyl and ethyl ricinoleate, ricinoleic acid and castor oil as precursors. The analysis of the volatile organic compounds was carried out using Head Space Solid Phase Micro-Extraction (HS - SPME). Factorial experimental design was used for investigating extraction conditions, verifying stirring rate (0-400 rpm), temperature (25-60 ºC), extraction time (10-30 minutes), and sample volume (2-3 mL). The identification of volatile organic compounds was carried out by Gas Chromatography with Mass Spectrum Detector (GC/MSD). The conditions that resulted in maximum extraction were: 60 ºC, 10 minutes extraction, no stirring, sample volume of 2.0 mL, and addition of saturated KCl (1:10 v/v). In the bio-production of volatile organic compounds the effect of stirring rate (120-200 rpm), temperature (23-33 ºC), pH (4.0-8.0), precursor concentration (0.02-0.1%), mannitol (0-6%), and asparagine concentration (0-0.2%) was investigated. The bio-production at 28 ºC, 160 rpm, pH 6,0 and with the addition of 0.02% ricinoleic acid to the medium yielded the highest production of VOCs, identified as 1,4-butanediol, 1,2,2-trimethylciclopropilamine, beta-ionone; 2,3-butanodione, pentanal, tetradecane, 2-isononenal, 4-octen-3-one, propanoic acid, and octadecane.

Mudanças estratégicas em organizações hospitalares: uma abordagem contextual e processual

O objetivo central do artigo consiste em verificar como ocorreu o processo de mudança estratégica em uma organização hospitalar. Analisam-se, de forma empírica, as mudanças estratégicas ocorridas nos últimos 20 anos no Hospital CBS. São identificadas as condições objetivas do setor - ambiente real, arena cognitiva - como ambiente percebido e a rede de colaboradores que dão suporte às atividades do hospital. O período de mais transformações foi o de 1991 a 1995, e as principais mudanças foram na cultura do hospital, na filosofia de trabalho dos médicos e funcionários, na forma de treinamento dos funcionários, na estrutura organizacional, nos processos e na tecnologia. Detectou-se que a coalizão dominante do hospital sofre apenas influência externa em razão das mudanças tecnológicas e que, internamente, o corpo clínico tem controle sobre o processo de tomada de decisões.

Um mapeamento descritivo dos modelos de gestão de redes de correspondentes bancários no Brasil

Apesar dos diversos estudos que se desenvolveram nos últimos anos enfocando o crescimento dos chamados correspondentes bancários (CBs) como canal de distribuição de serviços financeiros à população de baixa renda no Brasil, existe uma importante lacuna nessa literatura, relacionada à compreensão das diferentes formas pelas quais redes de CBs podem ser montadas e geridas. No presente artigo teve-se por objetivo construir um mapeamento das diferentes configurações de negócios - ou modelos de gestão de redes de CBs - hoje praticadas na utilização do canal de CBs pelos bancos brasileiros. Para tanto, adotou-se um método taxonômico, que permitiu distinguir a existência de seis diferentes modelos de gestão de redes de CBs praticados pelos bancos na gestão do canal, os quais foram, por sua vez, agrupados em três classes, de acordo com o grau de delegação de atividades a gestores de rede terceirizados. O resultado do trabalho é um mapeamento inédito das diferentes configurações de negócios praticadas na operação do canal de CBs no Brasil. A relevância da contribuição deriva da escassez de referências ao tópico em estudos anteriores, bem como da importância adquirida em anos recentes pelo canal de CBs como um dos principais canais de distribuição de serviços bancários à população de baixa renda.

Control of Guignardia citricarpa by Bacillus subtilis and Trichoderma spp.

The ability of isolates of Bacillus subtilis and Trichoderma spp. to control citrus black spot (CBS) was investigated in ´Natal´ sweet orange orchards. The first experiment was conducted during the 2001/2002 season and four isolates of B. subtilis (ACB-AP3, ACB-69, ACB-72 and ACB-77), applied every 28 days, alone or in combination were tested and compared with fungicide treatments. Two other experiments were carried out during the 2002/2003 season, where the same isolates of Bacillus and two isolates of Trichoderma (ACB-14 and ACB-40) were tested being applied every 28 days in the second experiment, and every 15 days in the third experiment. In the first experiment, the treatment with ACB-69 differed statistically from the control, but did not differ from other biological control agents or mixture of Bacillus isolates. In the second experiment, the treatments with ACB-69 and ACB-AP3 resulted in smaller disease index compared with the control treatment. However, this result was not repeated in the third experiment, where the isolates were applied every 15 days. Disease severity was high in both evaluated seasons and the fungicide treatment was the most effective for disease control.

A química medicinal de N-acilidrazonas: novos compostos-protótipos de fármacos analgésicos, antiinflamatórios e anti-trombóticos

In this article are described new bioactive N-acylhydrazone (NAH) derivatives, structurally designed as optimization of aryl hydrazones precursors planned by molecular hybridization of two 5-lipoxigenase inhibitors, e.g. CBS-1108 and BW-755c. The analgesic, antiedematogenic and anti-platelet aggregating profile of several isosteric compounds was investigated by using classic pharmacological assays in vivo and ex-vivo, allowing to identify new potent peripheric analgesic lead, a new anti-inflammatory and an antithrombotic agent. During this study was discovered dozen of active NAH compounds clarifying the structure-activity relationship for this series of NAH derivatives, indicating the pharmacophore character of the N-acylhydrazone functionality.

Pré-tratamentos de melaço de cana-de-açúcar e água de maceração de milho para a bioprodução de carotenóides

This work studied the pretreatment of sugarcane molasses (CM) and corn steep liquor (CS) for the production of carotenoids by Sporidiobolus salmonicolor (CBS 2636). The acid pretreatment removed less micronutrients than that with activated carbon and led to high removals of Cu and Mn. Reduction in optical density of the prepared medium and removal of glucose from it were 22% and 7% for CM and 95% and 38% for CS, respectively. Total carotenoids obtained with substrates pretreated with acids (541 mg/L) were higher than the results obtained when the medium was treated with activated carbon (208 mg/L).

Susceptibility of fruits of the 'Valência' and 'Natal' sweet orange varieties to Guignardia citricarpa and the influence of the coexistence of healthy and symptomatic fruits

The importance of the presence of symptomatic fruits with citrus black symptoms (CBS) on the disease severity level in subsequent crop production was assessed in an orchard planted with Valência and Natal sweet orange varieties. Additionally, the period of susceptibility of the fruits of these varieties was evaluated. Fruits were covered with paper bags at the stage of 75% fallen petals and were then exposed to natural infection at weekly intervals, from October 2000 to April 2001. This process was carried out in plants where the fruits from the previous harvest had been picked as well as in plants where fruits remained until natural drop. The evaluation of disease severity used a scale that varied from 0 (absence of symptoms) to 6 (severe symptoms). It was observed that, for the Valência and Natal varieties, conidia of Phyllosticta citricarpa that had formed on the lesions of fruits from the previous harvest did not significantly increase the severity of disease on the fruits of the subsequent harvest period. In this study, the protection of the fruits until 10 weeks after petal drop did not affect the number of lesions, indicating that ascospore discharges after that date were, probably, responsible for disease severity. Fruits exposed between the 20th and 24th week after 75% of the petals had fallen were symptomatic, indicating that, at this stage, the fruits were still susceptible to the pathogen.

Mastalgias cíclicas: tratamento não-medicamentoso (orientação verbal)

Objetivos: avaliar o tratamento não-medicamentoso (orientação verbal) como primeira opção terapêutica para mulheres com mastalgia cíclica e observar se o tempo de existência da sintomatologia dolorosa altera os resultados. Métodos: conduzimos um estudo do tipo experimental não-controlado com uma amostra de 128 mulheres com história clara de mastalgia cíclica, tratadas com orientação verbal. Uma escala analógica visual da dor foi usada antes e após o tratamento, a fim de avaliar a severidade, e classificamos as mastalgias em graus I (leve), II (moderado) e III (severo), de acordo com a intensidade da dor. Usamos também o "Cardiff Breast Score" (CBS) modificado para avaliar a resposta clínica ao tratamento. A análise dos dados foi feita com o teste do chi² (Epi-Info 6.04). Resultados: verificou-se um índice de sucesso de 59,4% com a orientação verbal, mas não houve resposta com diferença estatisticamente significante entre os grupos (p = 0,16) com diferentes graus de mastalgia. A resposta menos satisfatória ao tratamento não-medicamentoso nas pacientes que apresentavam um período de tempo mais longo de sintomatologia foi apenas aparente, pois não houve diferença estatisticamente significante (p = 0.14). Conclusão: a orientação verbal deve ser tentada sempre como a primeira escolha terapêutica para mulheres com mastalgia cíclica, independentemente do grau de intensidade da dor. O curso prolongado da dor não interferiu nos resultados.

Fatores que Influenciam os Resultados do Tratamento Não-Medicamentoso das Mastalgias Cíclicas

Objetivo: avaliar fatores que possam influenciar os resultados do tratamento não-medicamentoso (orientação verbal) em mulheres com mastalgia cíclica. Métodos: conduzimos um estudo do tipo experimental não controlado com uma amostra de 128 mulheres com uma história clara de mastalgia cíclica, tratadas com orientação verbal. Uma escala analógica visual da dor foi usada antes e após tratamento, a fim de avaliar a sua gravidade, e classificamos as mastalgias em graus I (leve), II (moderado) e III (intensa), de acordo com a intensidade da dor. Usamos também o Cardiff Breast Score (CBS) modificado para avaliar a resposta clínica ao tratamento. A análise dos dados foi feita com o teste do chi² (Epi-Info 6.04). Resultados: verificamos que fatores como paridade, menarca, idade do primeiro parto a termo e amamentação não influenciaram significativamente (p=0,19, p=0,31, p=0,80 e p=0,54, respectivamente) os resultados do tratamento não-medicamentoso (orientação verbal). Por outro lado, quando levamos em consideração a idade, observamos que 26 (78,8%) pacientes com 40 anos ou mais de idade foram mais beneficiadas com a orientação verbal, com diferença estatisticamente significante (p=0,01) quando comparadas aos grupos mais jovens. Conclusão: fatores reprodutivos como paridade, menarca, idade do primeiro parto a termo e amamentação não influenciaram os resultados do tratamento não medicamentoso (orientação verbal). O fator idade, especificamente, influenciou significativamente os resultados.

Metabolism and gene polymorphisms of the folate pathway in Brazilian women with history of recurrent abortion

PURPOSE: To investigate the association between polymorphisms in genes that encode enzymes involved in folate- and vitamin B12-dependent homocysteine metabolism and recurrent spontaneous abortion (RSA).METHODS: We investigated the C677T and A1298C polymorphisms of the methylenetetrahydrofalate reductase gene (MTHFR), the A2756G polymorphism of the methionine synthase gene (MS) and the 844ins68 insertion of the cystathionine beta synthetase gene (CBS). The PCR technique followed by RFLP was used to assess the polymorphisms; the serum levels of homocysteine, vitamin B12 and folate were investigated by chemiluminescence. The EPI Info Software version 6.04 was used for statistical analysis. Parametric variables were compared by Student's t-test and nonparametric variables by the Wilcoxon rank sum test.RESULTS: The frequencies of gene polymorphisms in 89 women with a history of idiopathic recurrent miscarriage and 150 controls were 19.1 and 19.6% for the C677T, insertion, 20.8 and 26% for the A1298C insertion, 14.2 and 21.9% for the A2756G insertion, and 16.4 and 18% for the 844ins68 insertion, respectively. There were no significant differences between case and control groups in any of the gene polymorphisms investigated. However, the frequency of the 844ins68 insertion in the CBS gene was higher among women with a history of loss during the third trimester of pregnancy (p=0.003). Serum homocysteine, vitamin B12 and folate levels id not differ between the polymorphisms studied in the case and control groups. However, linear regression analysis showed a dependence of serum folate levels on the maintenance of tHcy levels.CONCLUSION: The investigated gene polymorphisms and serum homocysteine, vitamin B12 and folate levels were not associated with idiopathic recurrent miscarriage in the present study. Further investigations are needed in order to confirm the role of the CBS 844ins68 insertion in recurrent miscarriage.

A study of the interaction between Helicobacter pylori and components of the human fibrinolytic system

The interaction of plasminogen, tissue plasminogen activator (t-PA) and urokinase with a clinical strain of Helicobacter pylori was studied. Plasminogen bound to the surface of H. pylori cells in a concentration-dependent manner and could be activated to the enzymatic form, plasmin, by t-PA. Affinity chromatography assays revealed a plasminogen-binding protein of 58.9 kDa in water extracts of surface proteins. Surface-associated plasmin activity, detected with the chromogenic substrate CBS 00.65, was observed only when plasminogen and an exogenous activator were added to the cell suspension. The two physiologic plasminogen activators, t-PA and urokinase, were also shown to bind to and remain active on the surface of bacterial cells. epsilon-Aminocaproic acid caused partial inhibition of t-PA binding, suggesting that the kringle 2 structure of this activator is involved in the interaction with surface receptors. The activation of plasminogen by t-PA, but not urokinase, strongly depended on the presence of cells and a 25-fold enhancer effect on the initial velocity of activation by t-PA compared to urokinase was established. Furthermore, a relationship between cell concentration and the initial velocity of activation was demonstrated. These findings support the concept that plasminogen activation by t-PA on the bacterial surface is a surface-dependent reaction which offers catalytic advantages.