Determinação da estrutura molecular do ciclooctano por métodos ab initio e difração de elétrons na fase gasosa

The determination of the molecular structure of molecules is of fundamental importance in chemistry. X-rays and electron diffraction methods constitute in important tools for the elucidation of the molecular structure of systems in the solid state and gas phase, respectively. The use of quantum mechanical molecular orbital ab initio methods offer an alternative for conformational analysis studies. Comparison between theoretical results and those obtained experimentally in the gas phase can make a significant contribution for an unambiguous determination of the geometrical parameters. In this article the determination of the molecular structure of the cyclooctane molecule by electron diffraction in the gas phase and ab initio calculations will be addressed, providing an example of a comparative analysis of theoretical and experimental predictions.

Baterias de níquel-hidreto metálico, uma alternativa para as baterias de níquel-cádmio

Nickel metal hydride (Ni-MH) batteries have emerged as an alternative for replacement of nickel-cadmium batteries, because of their more environmental compatibility and high energy capacity. In this article, we described the properties and applications for Ni-MH batteries, giving some emphasis on the metal-hydride electrode, including the description of composition, the charge storage capacity and the discharge profile. The key component of the nickel-metal hydride electrode is a hydrogen storage alloy whose composition is formulated to obtain a high stable material over a large number of charge-discharge cycles.

Processamento da pasta eletrolítica de pilhas usadas

This work presents a basic study on the processing of spent Zn/MnO2 and alkaline batteries in acid or basic media. Promising results were obtained after fusion with NaOH or KHSO4, which allowed a good separation between Mn from Zn and these metals from other metal components. Processing of spent batteries is a complex procedure, which includes disassembly of these materials, the use of corrosive and high-energy consuming media and the management of final residues.

Citotoxicidade e genotoxicidade de nanotubos de carbono

There are many controversies regarding the cyto- and genotoxicity of carbon nanotubes (CNTs). In this work, we discuss that many of the incongruous arguments are probably associated with the poor physical-chemical characterization of the CNT samples used in many publications. This manuscript presents examples of carbon nanostructures observed under high resolution electron microscopy that can be found in typical CNT samples, and shows which roles in cyto- and genotoxicity need to be better investigated. Issues concerning chemical treatment are addressed and examples of misunderstandings that can occur during the studies of cyto- and genotoxicity of CNT samples are given.

Dft theoretical study of energetic nitrogen-rich C4N6H8-n(NO2)n derivatives

Density functional theory (DFT) calculations at the B3LYP/6-31G** theoretical level were performed for a series of guanidine-fused bicyclic skeleton derivatives C4N6H8-n(NO2)n (n = 1 - 6). The heats of formation (HOFs) were calculated by isodesmic reactions, and the detonation properties were evaluated using the Kamlet - Jacobs equations. The bond dissociation energies were also analyzed to investigate the thermal stability and sensitivity of the compounds. The results show that all of the derivatives have high positive HOFs, compound G has the highest theoretical density, and compound F1 has the highest detonation velocity and detonation pressure. Considering both the detonation properties and thermal stabilities, compounds D1 and D4 (3 nitro substituents), E1 - E6 (4 nitro substituents), and G (6 nitro substituents) can be regarded as potential candidates for high-energy density materials.

The influence of fasting/refeeding on the lipoprotein lipase activity of adipose tissue and muscle

Lipoprotein lipase activity in adipose tissue and muscle is modulated by changes in the pattern of food intake. We have measured total lipoprotein lipase activity in adipose tissue and muscle of male Wistar rats (N = 6-10), weighing 200-250 g (~12 weeks), during the refeeding/fasting state following 24 h of fasting. Lipoprotein lipase activity in tissue homogenates was evaluated using a [³H]-triolein-containing substrate, and released [³H]-free fatty acids were extracted and quantified by liquid scintillation. Adipose tissue lipoprotein lipase activity did not completely recover within 2 h of refeeding (60% of refed ad libitum values). Cardiac lipoprotein lipase activity remained increased even 2 h after refeeding (100% of refed ad libitum values), whereas no significant changes were observed in the soleus and diaphragm muscles. Adipose tissue lipoprotein lipase activities were consistently higher than the highest skeletal muscle or heart values. It is therefore likely that adipose tissue, rather than muscle makes the major contribution to triacylglycerol clearance. There was concomitant relatively high lipoprotein lipase activity in both adipose tissue and cardiac muscle during the first few hours of refeeding, therefore cardiac muscle may contribute significantly to triacylglycerol clearance during this period. The results suggest that during fasting, increased lipoprotein lipase activity provides a complementary source of free fatty acids from circulating triacylglycerol, allowing the heart to maintain its continuous, high-energy expenditure.

Time motion analysis of football (soccer) referees during official matches in relation to the type of fluid consumed

The aim of the present study was to determine the effect of volume and composition of fluid replacement on the physical performance of male football referees. Ten referees were evaluated during three official matches. In one match the participants were asked to consume mineral water ad libitum, and in the others they consumed a pre-determined volume of mineral water or a carbohydrate electrolyte solution (6.4% carbohydrate and 22 mM Na+) equivalent to 1% of their baseline body mass (half before the match and half during the interval). Total water loss, sweat rate and match physiological performance were measured. When rehydrated ad libitum (pre-match and at half time) participants lost 1.97 ± 0.18% of their pre-match body mass (2.14 ± 0.19 L). This parameter was significantly reduced when they consumed a pre-determined volume of fluid. Sweat rate was significantly reduced when the referees ingested a pre-determined volume of a carbohydrate electrolyte solution, 0.72 ± 0.12 vs 1.16 ± 0.11 L/h ad libitum. The high percentage (74.1%) of movements at low speed (walking, jogging) observed when they ingested fluid ad libitum was significantly reduced to 71% with mineral water and to 69.9% with carbohydrate solution. An increase in percent movement expended in backward running was observed when they consumed a pre-determined volume of carbohydrate solution, 7.7 ± 0.5 vs 5.5 ± 0.5% ad libitum. The improved hydration status achieved with the carbohydrate electrolyte solution reduced the length of time spent in activities at low-speed movements and increased the time spent in activities demanding high-energy expenditure.

Processing of Brazil-nut flour: characterization, thermal and morphological analysis

The Brazil nut (Bertholletia excelsea H. B. K.) is noteworthy for its high content of lipids and proteins of elevated biological value and these factors justify the need for further research and incentives for the manufacturing of new trade products. In the present study we sought new forms of technological use of these nuts by the food industry, through their processing as flour, with no alteration in its energy content. The results after its elaboration showed a product with high energy value (431.48 kcal.100 g-1), protein content of 45.92 g.100 g-1, and fiber of 17.14%. The thermal analyses indicate that the introduction of another protein component, such as soy protein isolate, does not alter the reactions or thermal behavior. On the other hand, morphological analyses revealed granular structures similar to the structure of globular proteins. It was observed that after processing to obtain the flour, the product maintains its protein-energy content, as well as its characteristics when subjected to high temperatures.

Physicochemical, microbiological and sensory evaluation of a bioactive food blend

The potential of functional foods to decrease the risks of chronic non-communicable diseases has motivated the development of products with beneficial effects on fat and carbohydrate metabolism. The present study aimed at analyzing the physicochemical, microbiological, and sensory properties of a bioactive food blend developed to help the nutritional therapy provided to hypolipidemic and hyperglycemic patients with HIV/AIDS treated with antiretroviral therapy. The food blend was evaluated for moisture, protein, carbohydrate, fats, fixed mineral residue, total fiber content, and fatty acid composition, according to the standards established by the Instituto Adolfo Lutz. Food safety was assessed by microbiological analyses for Bacillus cereus, Salmonella spp, and coliforms. Sensory acceptance and intention to purchase were also evaluated. The food blend showed good nutritional potential, with low atherogenicity and thrombogenicity indexes, good macronutrient balance, and high energy value. The adoption of Good Manufacturing Practices (GMP) resulted in a product suitable for consumption. With respect to sensory aspects, the food blend showed satisfactory indexes of acceptability and promising marketing potential.

Food access and consumption in a rural settlement in Castanhal, PA, Brazil

Abstract The study aimed to assess the food accessibility and consumption among families in the Cupiúba rural settlement, in the city of Castanhal, Pará, Brazil. It was found that the access to food is worrying and indicated that most families are in food insecurity conditions. Moreover, income and food safety level were associated. The consumption of the settler families comprises mainly high-energy, low-nutrient content foods, characterized by the low intake of fruits and vegetables and the introduction of processed foods with high energy density and sugar-added beverages, although the traditional dietary habits (rice and beans) are still present. This configures a diet at risk for important nutritional deficits, obesity, and many non-communicable chronic diseases.