85 research outputs found

    The Bond Analysis Techniques (ELF and Maximum Probability Domains) Application to a Family of Models Relevant to Bio-Inorganic Chemistry

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    Electron Localization Function (ELF) and Maximum Probability Domain (MPD) analyses have been applied to model metal–porphyrins and show compatible and complementary results. ELF basins are quite different from MPDs, but are a necessary starting point for optimizing them. The analyses of the bond between the metal and porphyrin do not show significant differences between non transition and transition metals. In all the cases considered, we find signatures characteristic of essentially ionic bond

    Violenze silenziose. Uno studio esplorativo sul legame tra transfobia interiorizzata e legami affettivi e familiari

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    Dopo aver descritto i principali riferimenti teorici relativi al fenomeno della transfobia e dello stigma di genere, vengono riportati i primi risultati di uno studio che aveva come obiettivo quello di indagare la qualità delle relazioni affettive di coppia delle persone trans gender, assumendo come modello di riferimento la teoria dell’attaccamento ed in relazione a livelli di transfobia interiorizzata

    Kinetic study of a hen-egg white lysozyme-based oenological preparation

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    The catalytic activity of a lysozyme-based oenological preparation toward the specific substrates i) glycol chitosan, as a non-cellular synthetic substrate, and ii) Oenococcus oeni, as a microbial substrate for muramidase activity, was investigated in wine-like acidic medium (tartaric buffer, pH 3.2). The good reproducibility and reliability of results revealed that both substrates are useful for lysozyme kinetics studies. Both the chitinolytic and muramidase activity of lysozyme were affected by uncompetitive substrate inhibition. However, the O. oeni effect occurred at very high concentration with respect to the typical wine bacterial content, even when microbial population reaches its maximum growth level during malolactic fermentation. The optimum pH and temperature for lysozyme activity were very far from the usual wine handling conditions, but residual enzyme activity was observed at pH 3.2 and 20°C, confirming that the oenological application of lysozyme is a useful practice

    Blood Pressure Variability and ABPM in Industrial Employees: a Cohort Study

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    The evaluation of arterial hypertension in workplaces is an important prevention act and a public health priority; few epidemiological study, up to date, has been projected to detect correlation between workplaces and hypertension disease. We studied a cohort of industrial employees(mainly engineering area) to evaluate epidemiological disease data and to study particular aspects of disease; this work focalized to the role of blood pressure variability in workplace and its measurement by Ambulatory blood pressure in 24 hours (ABPM), useful instrument to predict and help to evaluate cardiovascular risk in workers exposed to several agents. In our study underwent ABPM 56 patients referred to an occupational physician; all of these patients were employed in industrial area (mainly engineering district). Identified risk factors: noise (85 dBA), handling of loads (Niosh Index > 1,6), inorganic powders. Job Content Questionnaire (JCQ)was administered to the entire study population, in order to identify the highest risk behavior profiles work related stress. The analysis performed showed no statistically significant correlation. The monitoring was carried out on patients with the indications provided by the ESH-ESC 2007 guidelines for the treatment of hypertension. The data analysis has highlighted the correlation between profile and BP circadian variability, in particular the SBP and MAP, calculated by evaluating the standard deviations; data also have shown that SBP and MAP variability within 24-hour and circadian profiles are two mutually independent variables and not correlated. The dipper group, which preserves a physiological circadian rhythm and is therefore considered a lower risk of cardio-cerebrovascular accidents, has a higher pressure variability compared to other groups, therefore an additional factor of cardiovascular risk. Exposure to noise, and high cardiometabolic request due to handling of loads (with a METs estimated to 3-4), may be contributing cause of these peculiar aspects of disease in our study cohort. Further studies are needed to confirm the observations made so far, in terms of examined population follow-up that we propose to make in the coming years. All these information should be considered in occupational medicine, especially in cardiometabolic risk management of industrial workers

    Theoretical Analysis of the Reactivity of Carbon Nanotubes: Local Versus Topological Effects

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    In carbon materials the mobile π electrons are situated in topologically different circumstances at edge sites, and their π electronic states, essentially controlled by the network structure of sp2 carbon, may be significantly affected. In this work, we derived topological indications about the reactivity of carbon nanotubes and fullerenes with the hydroxyl radical (OH•), the most important oxidizing species in the troposphere. For each molecular structure, we computed the local softness, the Mulliken charges of the reacting carbons of (n,n) and (n,0) clusters, and their Huckel-type aromaticity rules, as an index to determine topologically independent sites and predicting a certain grade of reactivity of the nanotube and fullerenic carbon atoms. Using local softness, closely related to the energy gap, it was possible to separate the periodical nanotubes in three families according to their reactivity. A connection between the reactivity index ΔE and the topology was established by means of the Fukui integrated function. It resulted that for (n,0) clusters, odd n implies aromaticity, whereas even n, non-aromaticity; (n,n) clusters are in any case non-aromatic. For a better understanding of some experimental results, we also discussed how edge effects can influence topological reactivity due to the increment of the number of benzene rings in some cluster arrangements
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