Dynamics of meso and thermo citrate synthases with implicit solvation

The dynamics of hydration of meso and thermo citrate synthases has been investigated using the EEF1 methodology implemented with the CHARNM program. The native enzymes are composed of two identical subunits, each divided into a small and large domain. The dynamics behavior of both enzymes at 30 degrees C and 60 degrees C has been compared. The results of simulations show that during the hydration process, each subunit follows a different pathway of hydration, in spite of the identical sequence. The hydrated structures were compared with the crystalline structure, and the root mean square deviation (RMSD) of each residue along the trajectory was calculated. The regions with larger and smaller mobility were identified. In particular, helices belonging to the small domain are more mobile than those of the large domain. In contrast, the residues that constitute the active site show a much lower displacement compared with the crystalline structure. Hydration free energy calculations point out that Thermoplasma acidophilum citrate synthase (TCS) is more stable than chicken citrate synthase (CCS), at high temperatures. Such result has been ascribed to the higher number of superficial charges in the thermophilic homologue, which stabilizes the enzyme, while the mesophilic homologue denatures. These results are in accord with the experimental found that TCS keeps activity at temperatures farther apart from the catalysis regular temperature than the CCS. (c) 2005 Wiley Periodicals, Inc.

Conformational features of cepacian: the exopolysaccharide produced by clinical strains of Burkholderia cepacia

Conformational energy calculations and molecular dynamics investigations, both in water and in dimethyl sulfoxide, were carried out on the exopolysaccharide cepacian produced by the majority of the clinical strains of Burkholderia cepacia, an opportunistic pathogen causing serious lung infection in patients affected by cystic fibrosis, the investigation was aimed at defining the structural and conformational features, which might be relevant for clarification of the structure-function relationships of the polymer. The molecular dynamics calculations were carried out by Ramachandran-type energy plots of the disaccharides that constitute the polymer repeating unit. The dynamics of an oligomer composed of three repeating units were investigated in water and in Me2SO, a non-aggregating solvent. Analysis of the time persistence of hydrogen bonds showed the presence of a large number of favourable interactions in water, which were less evident in Me2SO. The calculations on the cepacian chain indicated that polymer conformational features in water were affected by the lateral chains, but were also largely dictated by the presence of solvent. Moreover, the large number of intra-chain hydrogen bonds in water disappeared in Me2SO solution, increasing the average dimension of the polymer chains. (c) 2005 Elsevier Ltd. All rights reserved.

Investigation of the H tau tau and Hbb coupling constants for a scalar (Pseudoscalar) higgs Boson at a future linear electron-positron collider

The possibility of setting constraints on the Couplings of a scalar (pseudoscalar) Higgs boson to the tau lepton and the b quark in the reactions e(+)e(-)-->v (v) over bar tau(+)tau(-) and e(+)e(-)-->v (v) over barb (b) over bar at a future linear electron-positron collider of total energy roots = 500 GeV is studied. The admixture of a new hypothetical pseudoscalar state of the Higgs boson in the Hf (f) over bar vertex is parametrized in the form (mf/v)(a+igamma(5)b). on the basis of an analysis of differential distributions for the processes under study, it is shown that data from the future linear collider TESLA will make it possible to constrain the parameters a and b as -0.32 less than or equal to Deltaa less than or equal to 0.24 and -0.73 less than or equal to b less than or equal to 0.73 in the case of the reaction e(+)e(-)-->v (v) over bar tau(+)tau(-) and as -0.026 less than or equal to Deltaa less than or equal to 0.027 and -0.23 less than or equal to b less than or equal to 0.23 in the case of the reaction e(+)e(-) --> v (v) over barb (b) over bar. It is emphasized that the contribution of the fusion Subprocess WW --> H in the channel involving an electron neutrino is of particular importance, since this contribution enhances the sensitivity of data to the parameters being analyzed. (C) 2004 MAIK Nauka/Inierperiodica.

Covariance properties and regularization of conserved currents in tetrad gravity

We discuss the properties of the gravitational energy-momentum 3-form within the tetrad formulation of general relativity theory. We derive the covariance properties of the quantities describing the energy-momentum content under Lorentz transformations of the tetrad. As an application, we consider the computation of the total energy (mass) of some exact solutions of Einstein's general relativity theory which describe compact sources with asymptotically flat spacetime geometry. As it is known, depending on the choice of tetrad frame, the formal total integral for such configurations may diverge. We propose a natural regularization method which yields finite values for the total energy-momentum of the system and demonstrate how it works on a number of explicit examples.

Regularizing role of teleparallelism

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

Estudo antropométrico e dietético de nadadores competitivos de áreas metropolitanas da região sudeste do Brasil

Com o objetivo de caracterizar os ábitos alimentares de nadadores competitivos de dois clubes das cidades do Rio de Janeiro e de São Paulo, foram estudados atletas, 30 homens e 37 mulheres pertencentes às equipes juvenil (15-17 anos) e seniors (18-25 anos). Concomitantemente à avaliação antropométrica, foi feito o inquérito alimentar mediante os métodos de registro alimentar, recordatório de 24 horas e freqüência de consumo alimentar. Os resultados mostraram semelhança antropométrica entre as duas faixas etárias para cada um dos sexos, semelhança dos alimentos prevalentemente ingeridos com aqueles referidos pela população da área metropolitana das duas cidades e semelhança entre os suplementos alimentares ingeridos pelos atletas dos dois clubes. A ingestão calórica observada foi quase o dobro da referida para a população daquelas localidades, mas equivalente à descrita para nadadores de outros países. Os lanches, entre refeições, contribuíram com 25-28% da ingestão calórica global e a maior contribuição energética alimentar foi dada pelo grupo de cereais. Apesar de contribuir com quase 50% do aporte calórico diário, a ingestão glicídica foi menor que a recomendada para atletas competitivos (55-60%). A ingestão protéica de 2,5-3,0 g/kg/dia superou em 100% o valor recomendado para atletas e ultrapassou os 15% na participação calórica diária. A ingestão lipídica foi considerada elevada, particularmente a de gordura saturada. O aporte de micronutrientes foi acima do referido para as populações locais em função da ingestão calórica elevada, mas mostrou-se relativamente inadequado em magnésio, ferro e vitaminas A e D. Conclui-se que o padrão alimentar dos nadadores estudados não difere, muito, do da população local, distinguindo-se pelo elevado e freqüente consumo de alimentos energéticos, maior no sexo masculino que no feminino.

Effects of digitonin on hyperglycaemia and dyslipidemia induced by high-sucrose intake

This study examined whether high-sucrose intake effects on lipid profile and oral glucose tolerance may be inhibited by a single administration of digitonin, a saponin from the seeds of Digitalis purpurea Male Wistar 24 rats were initially divided into two groups (n = 12): (C) was given standard chow and water; (S) received standard chow and 30% sucrose in its drinking water. After 30 days of treatments, C rats were divided into two groups (n = 6): (CC) given an intra-gastric dose 0.5 mL saline, (CD) given a single intragastric dose of 15 mg/kg digitonin. S rats were also divided into two groups (n = 6): (SC) given intra-gastric saline and (SD) given digitonin. Rats were sacrificed after the oral glucose tolerance test (OGTT) at 2 h after the digitonin administration. S rats had higher total energy intake and final body weight than C. SC rats had fasting hyperglycaemia and impaired OGTT. Digitonin in SD group improved the glucose tolerance. Triacylglycerol (TG), very-low-density lipoprotein (VLDL-C) and free fatty acid (FFA) serum concentrations were increased in SD rats from CC. Digitonin in SD rats decreased FFA and led TG and VLDL-C concentrations at the levels observed in the CC group. Despite the enhanced cholesterol in CD group from CC., the high-density lipoprotein (HDL-C) was increased in these animals. HDL-C/TG ratio was higher in CD and SD than in CC and SC, respectively. No significant differences were observed in lipid hydroperoxide(LH) between the groups. VLDL-C/LH ratio and gamma-glutamyl transferase (GGT) activity were increased in SC group and were decreased in SD rats from the SC. In conclusion digitonin enhanced glucose tolerance and had beneficial effects on serum lipids by improve antioxidant activity. (c) 2005 Elsevier Ltd. All rights reserved.

DIRAC CONFINEMENT BY A VARIATIONAL APPROACH

An analytical approximate method for the Dirac equation with confining power law scalar plus vector potentials, applicable to the problem of the relativistic quark confinement, is presented. The method consists in an improved version of a saddle-point variational approach and it is applied to the fundamental state of massless single quarks for some especial cases of physical interest. Our treatment emphasizes aspects such as the quantum-mechanical relativistic Virial theorem, the saddle-point character of the critical point of the expectation value of the total energy, as well as the Klein paradox and the behaviour of the saddle-point variational energies and wave functions.

Effect of chronic treatment with Clomipramine on food intake, macronutrient selection and body weight gain in rats

Long-term treatment with clomipramine (CMI), a tricyclic antidepressant, induces food craving and body weight gain in patients. The present study investigated the effects of chronic treatment with CMI on total food intake, macronutrient selection, and body weight gain in rats. Male Wistar rats were maintained on a dietary self-selection regime with separate sources of protein, fat and carbohydrate. Animals received i.p. injections of CMI (0, 3, 10, 30 mg/kg) during 27 consecutive days. Food consumption and body weight were recorded daily and results were calculated as average of three consecutive days, namely during pre-treatment (3 d before pharmacological treatment), treatment (7th-9th; l6th-l8th and 25th-27th days), and post-treatment (28th-33rd days). Results showed that CMI (30 mg/kg) significantly decreased energy intake during all treatment period, an effect that was related to a decrease in both carbohydrate-rich diet intake and body weight gain. At dose of 3 mg/kg CMI increased the total energy intake in the 16th-18th days, suggesting an apparent biphasic effect of chronic treatment with CMI on caloric intake. Chronic administration with CMI (27 d) did not alter protein-rich or fat-rich diet consumption. The main result of this study indicated that chronic treatment with CMI decreases rather than increase food consumption and body weight gain in rats exposed to a macronutrient self-selection procedure.

A randomised clinical trial of the effect of low-level laser therapy for perineal pain and healing after episiotomy: A pilot study

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

Energetic cost of predation: Aerobic metabolism during prey ingestion by juvenile rattlesnakes, Crotalus durissus

We investigated the cost of prey ingestion in the South American rattlesnake, Crotalus durissus, to see if the capacity to generate energy aerobically could be a constraint on the size of the prey that can be ingested. To accomplish this goal, we measured time and aerobic metabolism (inferred from oxygen consumption) of juvenile C. durissus ingesting prey ranging from 10 to 50% of their own body mass. Time needed for prey ingestion increased with prey size, with prey representing 10 and 20% of snake size being ingested with the same effort. Whole animal rates of oxygen consumption increased linearly with prey size, but at a slower pace for snakes ingesting prey larger than 30% of their body mass. Aerobic factorial power input necessary for prey ingestion increased with prey size, and for snakes ingesting prey representing 50% of their body mass it equaled the aerobic factorial scope for exercise. For the maximum prey size tested, the aerobic derived energy necessary for prey ingestion represented 0.02% of the total energy content of the prey. Within the prey size range we studied, the cost of ingestion did not constitute any constraint on the size of the prey that can be ingested. These constraints are set by morphological (gape size), ecological (predation risk), and, probably, by physiological parameters, as suggested by the tendency of V̇O2 during ingestion to increase at a slower pace at relative larger prey sizes.

Scaling limit of virtual states of triatomic systems

Natural scales determine the physics of quantum few-body systems with short-range interactions. Thus, the scaling limit is found when the ratio between the scattering length and the interaction range tends to infinity, while the ratio between the physical scales are kept fixed. From the formal point of view, the relation of the scaling limit and the renormalization aspects of a few-body model with a zero-range interaction, through the derivation of subtracted three-body T-matrix equations that are renormalization-group invariant.

Mensuração da energia despendida no jejum e no aporte calórico (MEL) em parturientes

This research aims to measure the energy spending in parturient women of low gestation risk. Participants were selected randomly and submitted to fasting (n=15; Group I) or honey ingestion (n = 15; Group II). Data were collected by means of capillary blood values and heart frequency monitoring. The paired t-test with a 5% significance level and Tukey's method were used in statistical analysis. The results showed that honey ingestion did not promote an overload in the mother's glucose; the lactate response demonstrated that the substrate offered was well used; the cardiorespiratory rate demonstrated good performance for both groups; the total energy spent during labor demonstrated that carbohydrate ingestion exerts significant influence, improving maternal anaerobic performance; the group which remained in fasting presented, immediately after labor, higher levels of lactate, showing the organism's efforts to compensate for the energy spent.

The energetic cost of maintenance in ruminants: From classical to new concepts and prediction systems

The cost of maintenance makes up a large part of total energy costs in ruminants. Metabolizable energy (ME) requirement for maintenance (MEm) is the daily ME intake that exactly balances heat energy (HE). The net energy requirement for maintenance (NEm) is estimated subtracting MEm from the HE produced by the processing of the diet. Men cannot be directly measured experimentally and is estimated by measuring basal metabolism in fasted animals or by regression measuring the recovered energy in fed animals. MEm and NEm usually, but not always, are expressed in terms of BW0.75. However, this scaling factor is substantially empirical and its exponent is often inadequate, especially for growing animals. MEm estimated by different feeding systems (AFRC, CNCPS, CSIRO, INRA, NRC) were compared by using dairy cattle data. The comparison showed that these systems differ in the approaches used to estimate MEm and for its quantification. The CSIRO system estimated the highest MEm, mostly because it includes a correction factor to increase ME as the feeding level increases. Relative to CSIRO estimates, those of NRC, INRA, CNCPS, and AFRC were on average 0.92, 0.86, 0.84, and 0.78, respectively. MEm is affected by the previous nutritional history of the animals. This phenomenon is best predicted by dynamic models, of which several have been published in the last decades. They are based either on energy flows or on nutrient flows. Some of the different approaches used were described and discussed.

Diferenças regionais do cultivo de café no Brasil

Brazil is one of the major coffee producers in the world, because of this, the goal of this study was to assess the regional differences of coffee cultivation for the reference crops 2001/2002 and 2002/03 by means of a life cycle assessment (LCA) in order to generate detailed production inventory data as well as quantify the potential environmental impacts of this crop. All information considered in this study (use of water, fossil based energy, fertilizers, pesticides and correctives) was taken from data collected from the producing farms. Four Brazilian coffee producer regions located at the Southeastern region were evaluated: Sul de Minas Gerais and Cerrado Mineiro in Minas Gerais State, and Mogiana and Alta Paulista regions in São Paulo State. The data refer to a production of 25.2 million kg of green coffee. Depending on the considered region, the production of 1,000 kg of green coffee requires, on average, approx. 9,300 to 13,000 kg of total energy, 70 to 130 kg of diesel, 6,500 to 12,700 kg of process water, 270 to 340 kg of fertilizers (NPK), 2.0 to 13.0 kg of pesticides, 230 to 600 kg of correctives, and yield around 1,600 to 1,900 kg/ha. Despite 20% of the coffee growers showing a good environmental performance, i.e. consumption of pesticides, fertilizers and correctives lower than the regional averages, this study has also identified some farms that can probably reduce the amount of some inputs and enhance their environmental performance.