Grape juice quality control by means of ¹H nmr spectroscopy and chemometric analyses

This work shows the application of ¹H NMR spectroscopy and chemometrics for quality control of grape juice. A wide range of quality assurance parameters were assessed by single ¹H NMR experiments acquired directly from juice. The investigation revealed that conditions and time of storage should be revised and indicated on all labels. The sterilization process of homemade grape juices was efficient, making it possible to store them for long periods without additives. Furthermore, chemometric analysis classified the best commercial grape juices to be similar to homemade grape juices, indicating that this approach can be used to determine the authenticity after adulteration.

Lychnophoric acid from Lychnophora pinaster: a complete and unequivocal assignment by NMR spectroscopy

The investigation of the hexane extract from aerial parts of Lychnophora pinaster provided, besides others substances, the E-isomer of lychnophoric acid, a sesquiterpene derivative previously isolated from L. affinis.

Evaluation of group electronegativities and hardness (softness) of group 14 elements and containing functional groups through density functional theory and correlation with NMR spectra data

Quantum Chemical calculations for group 14 elements of Periodic Table (C, Si, Ge, Sn, Pb) and their functional groups have been carried out using Density Functional Theory (DFT) based reactivity descriptors such as group electronegativities, hardness and softness. DFT calculations were performed for a large series of tetracoordinated Sn compounds of the CH3SnRR'X type, where X is a halogen and R and R' are alkyl, halogenated alkyl, alkoxy, or alkyl thio groups. The results were interpreted in terms of calculated electronegativity and hardness of the SnRR'X groups, applying a methodology previously developed by Geerlings and coworkers (J. Phys. Chem. 1993, 97, 1826). These calculations allowed to see the regularities concerning the influence of the nature of organic groups RR' and inorganic group X on electronegativities and hardness of the SnRR'X groups; in this case, it was found a very good correlation between the electronegativity of the fragment and experimental 119Sn chemical shifts, a property that sensitively reflects the change in the valence electronic structure of molecules. This work was complemented with the study of some compounds of the EX and ER types, where E= C, Si, Ge, Sn and R= CH3, H, which was performed to study the influence that the central atom has on the electronegativity and hardness of molecules, or whether these properties are mainly affected for the type of ligand bound to the central atom. All these calculations were performed using the B3PW91 functional together with the 6-311++G** basis set level for H, C, Si, Ge, F, Cl and Br atoms and the 3-21G for Sn and I atoms.

Composição de ácidos graxos e teor de lipídios em cabeças de peixes: matrinxã (B. cephalus), Piraputanga (B. microlepis) e Piracanjuba (B. orbignyanus), criados em diferentes ambientes

Neste trabalho, foram determinados os lipídios totais e a composição de ácidos graxos da cabeça in natura de três espécies de peixes do gênero Brycon, matrinxã (B. cephalus), piraputanga (B. microlepis) e piracanjuba (B. orbignyanus), criados em cativeiros (açudes e gaiolas) e, nativos coletados nos rios Cuiabá-Manso (piraputanga) e no rio Paraná (piracanjuba). Os teores de lipídios totais nas cabeças variaram de 14,26 a 22,00%. Com relação aos ácidos graxos, todas as espécies apresentaram como predominantes os ácidos oléico-C18:1ômega9 (40,21 a 44,41%), seguido dos ácidos palmítico-C16:0 (22,04 a 27,04%), esteárico-C18:0 (7,78 a 12,11%) e linoléico-18:2ômega6 (5,27 a 14,68%). O percentual dos ácidos alfa-linolênico (18:3ômega3), araquidônico (20:4ômega6), eicosapentaenóico (20:5ômega3) e docosahexaenóico (22:6ômega3) foram inferiores a 2,52%. A somatória dos ácidos graxos polinsaturados (AGPI) variou de 10,30 a 19,32%, e dos ácidos graxos saturados (AGS) de 32,42 a 39,41%. A espécie piraputanga nativa apresentou maior proporção de ácidos ômega3 (3,67%) e menor de ácidos ômega6 (6,02%).

Alterações bioquímicas post-mortem de matrinxã Brycon cephalus (Günther, 1869) procedente da piscicultura, mantido em gelo

No presente trabalho, foram estudadas as alterações bioquímicas post-mortem que ocorreram em matrinxã Brycon cephalus (Günther, 1869) procedente da piscicultura e mantido em gelo em Manaus - AM. Foi determinado o tempo de estocagem em gelo por meio das avaliações sensoriais físicas e gustativas, das análises de pH, Nitrogênio das Bases Voláteis Totais (N-BVT) e bacteriológicas durante 29 dias. Foram determinados os índices de rigor-mortis, as concentrações de ATP e seus produtos de degradações e o valor K. De acordo com a composição química, o peixe foi classificado como "semi-gordo". Os peixes entraram em rigor-mortis aos 75 minutos após a morte por hipotermia, tendo permanecido durante 10 dias. As avaliações sensoriais (físicas e gustativas) mostraram que os peixes apresentaram condição de consumo até 26 dias. As análises de ATP e de seus produtos de degradação mostraram que a referida espécie foi considerada formadora de inosina (HxR), nas condições de experimento. O valor K mostrou que os exemplares de matrinxãs permaneceram "muito frescos" até 16 dias de estocagem em gelo, concordante com a avaliação sensorial gustativa.

Neonatal mortality: description and effect of hospital of birth after risk adjustment

OBJECTIVE: To assess the effect of hospital of birth on neonatal mortality. METHODS: A birth cohort study was carried out in Pelotas, Southern Brazil, in 2004. All hospital births were assessed by daily visits to all maternity hospitals and 4558 deliveries were included in the study. Mothers were interviewed regarding potential risk factors. Deaths were monitored through regular visits to hospitals, cemeteries and register offices. Two independent pediatricians established the underlying cause of death based on information obtained from medical records and home visits to parents. Logistic regression was used to estimate the effect of hospital of birth, controlling for confounders related to maternal and newborn characteristics, according to a conceptual model. RESULTS: Neonatal mortality rate was 12.7‰ and it was highly influenced by birthweight, gestational age, and socioeconomic variables. Immaturity was responsible for 65% of neonatal deaths, followed by congenital anomalies, infections and intrapartum asphyxia. Adjusting for maternal characteristics, a three-fold increase in neonatal mortality was seen between similar complexity hospitals. The effect of hospital remained, though lower, after controlling for newborn characteristics. CONCLUSIONS: Neonatal mortality was high, mainly related to immaturity, and varied significantly across maternity hospitals. Further investigations comparing delivery care practices across hospitals are needed to better understand NMR variation and to develop strategies for neonatal mortality reduction.

Human parasitism by Phagicola sp (Trematoda, Heterophyidae) in Cananéia, São Paulo State, Brazil

We report one case of parasitism by Phagicola sp. (Trematoda, Heterophyidae) in a 31 years-old woman who, in 1987, travelled and stayed several months in the municipality of Cananéia (SP), where she ingested, in various occasions, raw mullet (Mugil sp.). The patient refered mild intestinal pain and laboratory examinations showed eggs of Phagicola sp. in the stools and a slight increase in eosinophil blood levels (8%). After treatment with praziquantel (75 mg/kg per day for three days) all the symptoms and signs disappeared. This is, certainly, the first record of human infection by Phagicola sp. in Brazil and, perhaps, in countries other than the U.S.A. where unclear references to a few human cases were reported in the South-eastern region.