Ion-water clusters, bulk medium effects, and ion hydration

Thermochemistry of gas-phase ion-water clusters together with estimates of the hydration free energy of the clusters and the water ligands are used to calculate the hydration free energy of the ion. Often the hydration calculations use a continuum model of the solvent. The primitive quasichemical approximation to the quasichemical theory provides a transparent framework to anchor such efforts. Here we evaluate the approximations inherent in the primitive quasichemical approach and elucidate the different roles of the bulk medium. We find that the bulk medium can stabilize configurations of the cluster that are usually not observed in the gas phase, while also simultaneously lowering the excess chemical potential of the ion. This effect is more pronounced for soft ions. Since the coordination number that minimizes the excess chemical potential of the ion is identified as the optimal or most probable coordination number, for such soft ions, the optimum cluster size and the hydration thermodynamics obtained without account of the bulk medium on the ion-water clustering reaction can be different from those observed in simulations of the aqueous ion. The ideas presented in this work are expected to be relevant to experimental studies that translate thermochemistry of ion-water clusters to the thermodynamics of the hydrated ion and to evolving theoretical approaches that combine high-level calculations on clusters with coarse-grained models of the medium

Race affects SVR12 in a large and ethnically diverse hepatitis C-infected patient population following treatment with direct-acting antivirals: Analysis of a single-center Department of Veterans Affairs cohort.

Hepatitis C virus (HCV) infection is a major cause of chronic liver disease. HCV cure has been linked to improved patient outcomes. In the era of direct-acting antivirals (DAAs), HCV cure has become the goal, as defined by sustained virological response 12 weeks (SVR12) after completion of therapy. Historically, African-Americans have had lower SVR12 rates compared to White people in the interferon era, which had been attributed to the high prevalence of non-CC interleukin 28B (IL28B) type. Less is known about the association between race/ethnicity and SVR12 in DAA-treated era. The aim of the study is to evaluate the predictors of SVR12 in a diverse, single-center Veterans Affairs population. We conducted a retrospective study of patients undergoing HCV therapy with DAAs from 2014 to 2016 at the VA Greater Los Angeles Healthcare System. We performed a multivariable logistic regression analysis to determine predictors of SVR12, adjusting for age, HCV genotype, DAA regimen and duration, human immunodeficiency virus (HIV) status, fibrosis, nonalcoholic fatty liver disease (NAFLD) fibrosis score, homelessness, mental health, and adherence. Our cohort included 1068 patients, out of which 401 (37.5%) were White people and 400 (37.5%) were African-American. Genotype 1 was the most common genotype (83.9%, N = 896). In the adjusted models, race/ethnicity and the presence of fibrosis were statistically significant predictors of non-SVR. African-Americans had 57% lower odds for reaching SVR12 (adj.OR = 0.43, 95% CI = 1.5-4.1) compared to White people. Advanced fibrosis (adj.OR = 0.40, 95% CI = 0.26-0.68) was also a significant predictor of non-SVR. In a single-center VA population on DAAs, African-Americans were less likely than White people to reach SVR12 when adjusting for covariates

Millimeter Wave Technology for Armament Applications .

Use of millimeter wave (MMW) technology in armament systems imposes many restrictions on the size, volume and compactness of these systems in addition to ruggedness and reliable functioning in battlefield environment. This paper discusses the related design and technological issues, particularly in, the context of the sensors developed for smart ammunition and active armour protection systems

Optimizing Robustness and Invisibility in Digital Image Watermarking: A SVM-Based Multi-Level DWT and SVD Approach

This research introduces a new digital image watermarking approach that utilizes discrete wave transformation (DWT), Support vector machine, and singular value decomposition. The method improves robustness under various assault situations by using the SVM classifier during watermark extraction. Multi-level DWT splits the host picture into sub-bands when embedding, and the coefficients are used as input for SVM. After SVD, the scaling factor embeds the watermark. Comparing the proposed approach to existing research under various attacks, the experimental findings demonstrate that it strikes an equilibrium between robustness and invisibility for watermarks of varying sizes. Support Vector Machine is a contemporary category of machine learning techniques that is extensively employed for the purpose of solving classification problems

Accurate estimations of circumstellar and interstellar lines of quadruply ionized vanadium using the coupled cluster approach

Accurate {\it ab initio} calculations have been carried out to study the valence electron removal energies and oscillator strengths of astrophysically important electromagnetic transitions of quadruply ionized vanadium, $V^{4+}$. Many important electron correlations are considered to all-orders using the relativistic coupled-cluster theory. Calculated ionization potentials and fine structure splittings are compared with the experimental values, wherever available. To our knowledge, oscillator strengths of electric dipole transitions are predicted for the first time for most of the transitions. The transitions span in the range of ultraviolet, visible and near infrared regions and are important for astrophysical observations.Comment: Submitted in Astrophysical

Protective Effect of Bombyx mori L Cocoon (Abresham) and its Formulations against Isoproterenol-Induced Cardiac Damage

Purpose: To investigate the potential activity of Bombyx mori and its formulations against isoproterenol (ISO) induced cardiotoxicity.Methods: Wistar rats were orally pretreated with the ethanol extract of Bombyx mori cocoons in two doses (250 and 500 mg/kg) for 30 days; rats were similarly pretreated with its polyherbal formulations incorporating Khamira Abresham sada (KAS) and Khamira Abresham Hakim Arshadwala (KAHAW) (800 mg/kg), standard drug metoprolol (10 mg/kg) and normal saline for 30 days. Cardiotoxicity was induced by administration of isoproterenol (ISO, 85 mg/kg, subcutaneous) given twice on days 29 and 30 in all six pre-treated groups (n = 6) except the normal control. Cardiotoxicity was assessed by morphological and biochemical evaluation and further confirmed by histopathological studies.Results: Pretreatment with Bombyx mori (500 mg/kg), KAHAW and KAS significantly decreased (p < 0.01) the heart weight:body weight (HW:BW) ratio; significantly decreases the elevated activities of the cardiac marker enzymes, namely, asparate transaminase (AST) (p < 0.01), alanine transaminase (ALT) (p < 0.01), lactate dehydrogenase (LDH) (p < 0.01) ,creatinine kinase (CK-MB) (p < 0.01) and thiobarbituric acid reactive substances (TBARS) (p < 0.01) similar to the standard drug metoprolol (p < 0.01) in ISO-injected rats. Pre-treatment of rats with Bombyx mori (500 mg/kg), KAS, KAHAW and metoprolol challenged with ISO also showed absence of troponin. Pretreatment with B. mori (500 mg/kg), KAHAW and KAS significantly increased the activities of Superoxide dismutase (SOD) (p < 0.01), Tissue glutathione (GSH) (p < 0.01) and catalase (p < 0.01) similar to the standard drug metoprolol (p < 0.01).Conclusion: The findings of this study indicate that Bombyx mori as well as its polyherbal formulations exerts potent cardioprotection against isoproterenol-induced cardiotoxicity. This effect is comparable with that of metoprolol.Keywords: Bombyx mori, Myocardial necrosis, Oxidative stress, Cardiotoxicity, Khamira Abresham, Metoprolol, Isoprotereno