Silver(I) complexes with symmetrical Schiff bases: Synthesis, structural characterization, DFT studies and antimycobacterial assays

Synthesis, structural and spectroscopic characterizations, molecular modeling and antimycobacterial assays of new silver(I) complexes with two Schiff bases - MBDA and MBDB - are reported. The complexes [Ag(MBDA) 2]NO3, or AgMBDA, and [Ag(MBDB)NO3] or AgMBDB, were obtained by the reaction of the respective ligands with silver(I) nitrate in methanol. The Schiff bases were previously obtained by mixing ethylenediamine or 1,3-diaminopropane with p-anisaldehyde. The characterizations of the complexes were based on elemental (C, H and N) and thermal (TG-DTA) analyses and 13C and 1H NMR and FT-IR spectroscopic measurements, as well as X-ray structure determination for AgMBDA. Spectroscopic data predicted by DFT calculations are in agreement with the experimental data for the AgMBDA complex. The AgMBDA complex has a monomeric structure with a molar proportion 1:2 Ag/ligand, while AgMBDB presents a 1:1 proportion. The complexes AgMBDA and AgMBDB showed to be more effective against Mycobacterium tuberculosis than antibacterial agent silver sulfadiazine - SSD. © 2013 Elsevier Ltd. All rights reserved.

Espectroscopia de correlação bidimensional generalizada e sample-sample aplicada ao estudo da tripsina pancreática bovina

Pós-graduação em Biofísica Molecular - IBILCE

Aplicação do método da eletrorresistividade na investigação e mapeamento da contaminação por cemitérios: o exemplo do cemitério da Vila Rezende, Piracicaba/SP

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Compostos de Pd(II) contendo ligantes piridinicos: potencialidades biologicas e aspectos estruturais

Pós-graduação em Química - IQ

Translation and cultural adaptation of Brazilian Detailed Assessment of Speed of Handwriting: conceptual and semantic equivalence

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Contribuições na modelagem dinâmica e no controle neural de um braço robótico com elos flexíveis

Em geral, estruturas espaciais e manipuladores robóticos leves têm uma característica similar e inerente que é a flexibilidade. Esta característica torna a dinâmica do sistema muito mais complexa e com maiores dificuldades para a análise de estabilidade e controle. Então, braços robóticos bastantes leves, com velocidade elevada e potencia limitada devem considerar o controle de vibração causada pela flexibilidade. Por este motivo, uma estratégia de controle é desejada não somente para o controle do modo rígido mas também que seja capaz de controlar os modos de vibração do braço robótico flexível. Também, redes neurais artificiais (RNA) são identificadas como uma subespecialidade de inteligência artificial. Constituem atualmente uma teoria para o estudo de fenômenos complexos e representam uma nova ferramenta na tecnologia de processamento de informação, por possuírem características como processamento paralelo, capacidade de aprendizagem, mapeamento não-linear e capacidade de generalização. Assim, neste estudo utilizam-se RNA na identificação e controle do braço robótico com elos flexíveis. Esta tese apresenta a modelagem dinâmica de braços robóticos com elos flexíveis, 1D no plano horizontal e 2D no plano vertical com ação da gravidade, respectivamente. Modelos dinâmicos reduzidos são obtidos pelo formalismo de Newton-Euler, e utiliza-se o método dos elementos finitos (MEF) na discretização dos deslocamentos elásticos baseado na teoria elementar da viga. Além disso, duas estratégias de controle têm sido desenvolvidas com a finalidade de eliminar as vibrações devido à flexibilidade do braço robótico com elos flexíveis. Primeiro, utilizase um controlador neural feedforward (NFF) na obtenção da dinâmica inversa do braço robótico flexível e o calculo do torque da junta. E segundo, para obter precisão no posicionamento... (Resumo completo, clicar acesso eletrônico abaixo)

Structural and thermal properties of carboxylic acid functionalized polythiophenes

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Fenilpropanoides da Paspalum atratum

Pós-graduação em Química - IQ

Structure and absolute configuration of diterpenoids from hymenaea stigonocarpa

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

The canonical correlation between the biological markers of performance and physical fitness in high level judo athletes

The objective of this research was to verify the relationship between biological markers of performance of elite judo athletes and performance in different physical fitness tests. Twenty-one judo athletes were involved in the present observational and correlational study. Dermatoglyphic variables and the 2D:4D digit ratio were considered as biological markers, while the physical fitness variables analyzed were body fat, maximal strength, muscular power, the aerobic and anaerobic profile, and performance in specific tests. The statistics involved canonical correlations and a multivariate technique. A high and significant canonical correlation was observed between groups of variables, the first expressed by 1=0.999 (p<0.0001) and the second by 2=0.997 (p<0.001). It appears that, beyond height and body mass, total ridge count, pattern intensity for fingers and 2D:4D had more canonical loading. The physical fitness component of the first canonical variable incorporated, with high intensity were: the sum of skinfold thickness, the bench press onerepetition maximum (1RM), upper and lower body aerobic power. In the second canonical variable, physical fitness was composed of the squat 1RM, suspension time on the bar, the SJFT-index, and mean power during the upper body Wingate test. The data of this investigation showed the interdependence between biological markers of performance and physical fitness in high level judo athletes.

Biometry and fetal weight estimation by two-dimensional and three-dimensional ultrasonography: an intraobserver and interobserver reliability and agreement study

Objective To evaluate and compare the intraobserver and interobserver reliability and agreement for the biparietal diameter (BPD), abdominal circumference (AC), femur length (FL) and estimated fetal weight (EFW) obtained by two-dimensional ultrasound (2D-US) and three-dimensional ultrasound (3D-US). Methods Singleton pregnant women between 24 and 40 weeks were invited to participate in this study. They were examined using 2D-US in a blinded manner, twice by one observer, intercalated by a scan by a second observer, to determine BPD, AC and FL. In each of the three examinations, three 3D-US datasets (head, abdomen and thigh) were acquired for measurements of the same parameters. We determined EFW using Hadlock's formula. Systematic errors between 3D-US and 2D-US were examined using the paired t-test. Reliability and agreement were assessed by intraclass correlation coefficients (ICCs), limits of agreement (LoA), SD of differences and proportion of differences below arbitrary points. Results We evaluated 102 singleton pregnancies. No significant systematic error between 2D-US and 3D-US was observed. The ICC values were higher for 3D-US in both intra- and interobserver evaluations; however, only for FL was there no overlap in the 95% CI. The LoA values were wider for 2D-US, suggesting that random errors were smaller when using 3D-US. Additionally, we observed that the SD values determined from 3D-US differences were smaller than those obtained for 2D-US. Higher proportions of differences were below the arbitrarily defined cut-off points when using 3D-US. Conclusion 3D-US improved the reliability and agreement of fetal measurements and EFW compared with 2D-US.

Changes in prolactin secretion in the short- and long-term after adrenalectomy

OBJECTIVE: To evaluate the modulation of the hypothalamus-pituitary-adrenal axis (HPA) on prolactin secretion in rats after adrenalectomy (ADX). MATERIALS AND METHODS: Plasma corticosterone, ACTH, and prolactin concentrations were measured by radioimmunoassay in rats after bilateral ADX in the short- (3 hours and 1day) and long-term (3, 7, and 14 days). RESULTS: Animals that underwent ADX showed undetectable corticosterone levels and a triphasic ACTH response with a transient increase (3h), a decrease (1d), and further increase in the long-term after ADX. Sham animals showed a marked increase in corticosterone and ACTH levels three hours after surgery, with a decrease to basal levels thereafter. Plasma prolactin levels were not changed after ADX. CONCLUSION: There are different points of equilibrium in the HPA axis after the glucocorticoid negative feedback is removed. Prolactin plasma secretion is not altered in the short or long- term after ADX, suggesting that the peptidergic neurons essential for prolactin release are not activated after ADX.

Bioactive extracts and chemical constituents of two endophytic strains of Fusarium oxysporum

Ethyl acetate extracts of cultures grown in liquid Czapek and on solid rice media of the fungal endophyte Fusarium oxysporum SS46 isolated from the medicinal plant Smallanthus sonchifolius (Poepp.) H. Rob., Asteraceae, exhibited considerable cytotoxic activity when tested in vitro against human cancer cells. Chromatographic separation yielded anhydrofusarubin (1) and beauvericin (2) that were identified based on their ¹H and 13C NMR data. Compounds 1 and 2 showed the strongest cytotoxic activity against different cancer cell lines. Compound 2 also showed promising activity against Leishmania braziliensis. Hexanic extract of F. oxysporum SS50 grown on solid rice media also afforded a mixture of compounds that displayed cytotoxic activity against different cancer cell lines. Chemical analysis of the mixture of compounds, investigated by gas chromatography-mass spectrometry (GC-MS), showed that there was a predominance of methyl esters of fatty acids and alkanes.

Physico-chemical, spectroscopical and thermal characterization of biodiesel obtained by enzymatic route as a tool to select the most efficient immobilized lipase

Two microbial lipases from Burkholderia cepacia and Pseudomonas fluorescens were evaluated as catalysts for the enzymatic transesterification of beef tallow with ethanol and the most efficient lipase source was selected by taking into account the properties of the product to be used as fuel. Both lipases were immobilized on an epoxy silica-polyvinyl alcohol composite by covalent immobilization and used to perform the reactions under the following operational conditions: beef tallow-to-ethanol molar ratio of 1:9, 45ºC and 400 units of enzymatic activity per gram of fat. Products, characterized using Fourier Transform Infrared spectroscopy (FTIR), viscosimetry, thermogravimetry and ¹H NMR spectroscopy, suggested that the biodiesel sample obtained in the reaction catalyzed by Burkholderia cepacia lipase has the best set of properties for fuel usage.

Thiosaccharine disulfide: synthesis, crystal structure, spectroscopic characterization and theoretical study

The title compound, (thiosaccharine disulfide), bis[1,10dioxide-2,3-dihidro-1,2-benzoisothiazol]disulfide, (tsac)2 has been synthesized and fully characterized by UV–Visible, IR, Raman, 1H and 13C NMR spectroscopy elemental analysis and structural X-ray crystallography. A DFT theoretical study has been performed and good agreement between experimental and theoretical values of structural parameters and vibration frequencies have been achieved.