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Mechanism of thermal decomposition of yttrium nitrate hexahydrate, Y(NO3)3·6H2O and modeling of intermediate oxynitrates

The thermal decomposition of yttrium nitrate hexahydrate Y(NO3)3·6H2O is a complex condensation process generating a tetramer arrangement Y4O4(NO3)4 formed by alternating yttrium and oxygen atoms. The anions NO3− attach themselves to the yttrium atoms. The tetramer gradually loses N2O5 and, through the formation of Y4O5(NO3)2, is transformed into yttrium oxide. The bond lengths and bond angles of intermediate oxynitrates calculated using the molecular mechanics method rendered data compatible with the results of X-ray diffraction for related compounds.

Thermal decomposition of gallium nitrate hydrate and modeling of thermolysis products

It is well established that gallium insertion into the hydroxiapatite matrix as practiced in orthopedics protects bone from resorbtion and improves the biomechanical properties of the skeletal system. The research presented in this article is an investigation into the thermal decomposition of gallium nitrate, which is part of a complex process leading to the preparation of a hybrid matrix. It was demonstrated that after melting of the hexahydrate in its own water there occurs a simultaneous condensation of 4 mol of initial monomer Ga(NO3)3·6H2O into a tetramer Ga4O4(NO3)4. The resulting inorganic cycle gradually loses N2O5 and, through the formation of unstable oxynitrates, is transformed into gallium oxide. The use of molecular mechanics for comparing the potential energies of consecutive products of thermal decomposition permitted an evaluation of their stability and an appropriate interpretation of the experimental data.

Computerized modeling of intermediate compounds formed during thermal decomposition of gadolinium nitrate hydrate

It was shown that after partial dehydration occurs a simultaneous condensation of four mol of initial monomer Gd(NO3)3 · 6H2O into a tetramer Gd4O4(NO3)4. The heterocycle containing 4 gadolinium atoms gradually loses N2O5 and, through the formation of unstable oxynitrates, is transformed into Gd2O3. The interatomic distances and angles were calculated using the molecular mechanics method. The comparison of the potential energies of consecutive oxyphosphates permitted an evaluation of their stability. The models of intermediate oxynitrates represent a reasonably good approximation to the real structures and a proper interpretation of experimental data.

Thermolysis mechanism of samarium nitrate hexahydrate

Thermal decomposition of samarium nitrate hexahydrate Sm(NO3)3·6H2O has been investigated by thermogravimetry, differential scanning calorimetry, infrared spectroscopy, and X-ray diffractometry. This is a complex process that involves slow dehydration and fast concomitant internal hydrolysis. It is markedly different from the processes described for other members of the lanthanide series. At the first stage, pyrolysis is accompanied by removal of water and nitric acid to form samarium pentahydrate Sm(NO3)3·5H2O and intermediate oxonitrates containing O–Sm–OH groups. No traces of SmONO3 were detected. It is assumed that the existence of intermediate structures with six atoms of samarium best fits the experimental results. At higher temperatures, these products undergo further degradation, lose nitrogen dioxide, water, and oxygen, and finally, after having lost lattice water, are transformed into a cubic form of samarium oxide.

Fatty Acids Consumption: The Role Metabolic Aspects Involved in Obesity and Its Associated Disorders

Obesity and its associated disorders, such as insulin resistance, dyslipidemia, metabolic inflammation, dysbiosis, and non-alcoholic hepatic steatosis, are involved in several molecular and inflammatory mechanisms that alter the metabolism. Food habit changes, such as the quality of fatty acids in the diet, are proposed to treat and prevent these disorders. Some studies demonstrated that saturated fatty acids (SFA) are considered detrimental for treating these disorders. A high fat diet rich in palmitic acid, a SFA, is associated with lower insulin sensitivity and it may also increase atherosclerosis parameters. On the other hand, a high intake of eicosapentaenoic (EPA) and docosahexaenoic (DHA) fatty acids may promote positive effects, especially on triglyceride levels and increased high-density lipoprotein (HDL) levels. Moreover, polyunsaturated fatty acids (PUFAs) and monounsaturated fatty acids (MUFAs) are effective at limiting the hepatic steatosis process through a series of biochemical events, such as reducing the markers of non-alcoholic hepatic steatosis, increasing the gene expression of lipid metabolism, decreasing lipogenic activity, and releasing adiponectin. This current review shows that the consumption of unsaturated fatty acids, MUFA, and PUFA, and especially EPA and DHA, which can be applied as food supplements, may promote effects on glucose and lipid metabolism, as well as on metabolic inflammation, gut microbiota, and hepatic metabolism.

Thermolysis mechanism of dysprosium hexahydrate nitrate Dy(NO3)3·6H2O and modeling of intermediate decomposition products

The thermal decomposition of dysprosium nitrate is a complex process which begins with the simultaneous condensation of the initial monomer Dy(NO3)3·6H2O into a cyclic hexamer 6[Dy(NO3)3·6H2O]. This cluster gradually loses water and nitric acid, and intermediate oxynitrates Dy6O7(NO3)4·6H2O and Dy6O8(NO3)2·5H2O are formed. At higher temperatures, these products undergo further degradation, lose nitrogen dioxide, water, and oxygen, and finally, after having lost lattice water, are transformed into the cubic form of dysprosium oxide. The models of intermediate oxynitrates represent a reasonably good approximation to the real structures and a proper interpretation of experimental data. The comparison of the potential energies of consecutive oxynitrates permitted an evaluation of their stability. The mechanism was studied by thermal analysis, differential scanning calorimetry, infrared spectroscopy, and X-ray diffraction. The mass losses were related to the vibrational energy levels of the evolved gases.

An Overview of Novel Dietary Supplements and Food Ingredients in Patients with Metabolic Syndrome and Non-Alcoholic Fatty Liver Disease

Metabolic syndrome (MetS) is characterized by interconnected factors related to metabolic disturbances, and is directly related to the occurrence of some diseases such as cardiovascular diseases and type 2 diabetes. MetS is described as one or both of insulin resistance and visceral adiposity, considered the initial causes of abnormalities that include hyperglycemia, elevated blood pressure, dyslipidemia, elevated inflammatory markers, and prothrombotic state, as well as polycystic ovarian syndrome in women. Other than in MetS, visceral adiposity and the pro-inflammatory state are also key in the development of non-alcoholic fatty liver disease (NAFLD), which is the most prevalent chronic liver disease in modern society. Both MetS and NAFLD are related to diet and lifestyle, and their treatment may be influenced by dietary pattern changes and the use of certain dietary supplements. This study aimed to review the role of food ingredients and supplements in the management of MetS and NAFLD specifically in human clinical trials. Moreover, bioactive compounds and polyunsaturated fatty acids (PUFAs) may be used as strategies for preventing the onset of and treatment of metabolic disorders, such as MetS and NAFLD, improving the inflammatory state and other comorbidities, such as obesity, dyslipidemias, and cardiovascular diseases (CVD).

Computerized modeling of adenosine triphosphate, adenosine triarsenate and adenosine trivanadate.

Computerized molecular models of adenosine triphosphate, adenosine tri-arsenate and adenosine trivanadate have been generated using the molecular mechanics technique. The analysis of structural parameters indicated that, at least theoretically, adenosine triarsenate is a realistic candidate for replacement of adenosine triphosphate in biochemical pathways. On the contrary, the structural arrangement of the inorganic segment of adenosine trivanadate does not seem to be capable of withstanding a swift hydrolytical splitting in aqueous milieu. It was shown that the universal force field as implemented in Gaussian software packages is an appropriate tool for the optimization of less-common bioactive compositions.

Plasma concentrations of the trace elements copper, zinc and selenium in Brazilian children with autism spectrum disorder

The association between the plasma levels of trace elements, such as copper (Cu), zinc (Zn) and selenium (Se), in people with autism spectrum disorder (ASD), has attracted the interest of many physicians in the very recent years, because the impaired homeostatic regulation of trace elements, including their levels in the bloodstream and their potential neurotoxicity, contribute to the onset and exacerbation of ASD. In this study, we investigated 23 pediatric subjects (≤ 18 yrs old, both sexes) with ASD, all residents in the city of Campo Grande in Brazil, by searching for their micronutrient levels in plasma in relation with metabolic and nutrition biomarkers. Aside for the few evidence reported, generally, the Brazilian cohort of ASD children here examined did not show a marked difference in micro-nutrient intake in relation with their resident geographical area and their dietary habit or metabolic state, although a slight difference in the levels of magnesium and phosphorus was retrieved due to sex difference.

Oxidative stability of sesame and flaxseed oils and their effects on morphometric and biochemical parameters in an animal model.

BACKGROUND Sesame and flaxseed oils, which are rich in essential n-6 and n-3 polyunsaturated fatty acids, are widely consumed. We have determined the optical behavior with respect to the quality and identity of cold-pressed sesame and flaxseed oils. The effects of these oils and their combinations on metabolic parameters in animal models were also measured. RESULTS Flaxseed oil emitted carotenoid fluorescence (500-650 nm), although it was more unstable than sesame oil, which had a larger induction period by the Rancimat method. The greater stability of sesame may be a result of the lower quantity of linolenic fatty acids. These oils were added to the feed of 56 rats, whereas animal fat was used for the control group. The sesame oil, flaxseed oil and sesame + flaxseed oils groups showed a significantly reduced adiposity index and blood glucose compared to the control group, whereas total cholesterol, high-density lipoprotein and triglycerides were lower in flaxseed oil and sesame + flaxseed oils (P < 0.05). Sesame + flaxseed oils had reduced levels of low-density lipoprotein and non-high-density lipoprotein (P < 0.05), indicating an anti-atherogenic effect in this group. CONCLUSION Sesame oil was more stable than flaxseed oil. In an animal model, the diets with polyunsaturated fat sources proportions of 1:1 n-6:n-3 polyunsaturated fatty acids, improved the metabolic parameters, implying cardioprotective effects.