Molecular structure and electrochemical properties of alkyldithiocarbamates

Cyclic voltammetry, chronoamperometry, chronocoulometry and rotating disc electrode techniques have been used to study redox properties of dithiocarbamate lithium salts solutes in 0.1 M LiClO₄/DMSO solution. The investigated compounds have been synthesized from N,N′-dimethylethylenediamine to which one or two dithiocarbonyl groups were attached by a reaction with CS₂ in an alkaline solution. Voltammetric studies of the oxidation of these moieties showed the irreversible, though reproducible, broad peak at scan rates ranging from 0.01 to 0.5 V s⁻¹. The chronoamperometric and rotating disc electrode experiments confirmed the consumption of 1e/active group. Upon changing the electrode from Pt to glassy carbon only slight shift of the anodic peak potential, and negligible current change has been observed. These findings are interpreted as an indication that the electrode materials do not participate directly in the dithiocarbamate radicals formation (for example, via chemisorption) and in further dimerization of the radicals to thiuram disulfide. The latter process is assumed to proceed at the rate close to the diffusion limit. The calculated symmetry coefficient are distinctly lower than 0.5, the value predicted by the Butler-Volmer theory. Such an outcome implies that the potential range where the reaction proceeds is much more positive than the standard potential of the reaction. The oxidation of the compound containing two electroactive groups has led to the formation of a wide spectrum of diverse disulfide compounds differing one from another by the molecular weight (diffusion coefficient) owing to the various degree of the coupling.The semi-empirical quantum-chemical calculations showed the structure reorganization of the dithiocarbamate anions upon electron detachment enforced by localization of the unpaired electron on the sulfur atoms. It may favour kinetically the formation of thiuram disulfide through the fast homogeneous dimerization of the dithiocarbamate radicals.     

Thermodynamic properties of calcium hexaboride

The temperature dependence of the heat capacity of CaB₆ in the range 20–2500 K was calculated. The calculated results were confirmed by experimental measurements in the range 198–673 K, and standard enthalpy and entropy values were calculated. A recommended standard enthalpy of formation of CaB₆ was obtained from data in the literature. Equations for the thermodynamic functions of CaB₆ in the range 298.15–2500 K were obtained, which are suitable for the thermodynamic analysis of processes involving calcium hexaboride. Institute for Materials Science Problems, Ukrainian Academy of Sciences, Kiev. Translated from Poroshkovaya Metallurgiya, Nos. 7–8, pp. 63–66, July–August, 1997.     

Variable Fractional Delay Filter Design Using a Symmetric Window

In this paper a numerically efficient method for designing a nearly optimal variable fractional delay (VFD) filter based on a simple and well-known window method is presented. In the proposed method a single window extracted from the optimal filter with fixed fractional delay (FD) is divided into even and odd part. Subsequently, the odd part is discarded and symmetric even part of the extracted window is used to design a family of nearly optimal filters with varying FD. In addition to window extraction, the proposed approach requires filter gain correction which is dependent on the desired FD. Optimum values of the gain correction factor as well as the extracted window can be computed beforehand, which allows us to design a nearly optimal FD filter with arbitrary FD at low numerical costs during runtime. On the basis of the proposed filter design method, the universal structure of VFD filter allowing for change of filter type and length has been proposed. In the paper, three FD filter optimality criteria are considered, which are maximal flatness, Chebyshev (minimax), and least squares.     

Framework influence of erbium doped oxyfluoride glasses on their optical properties

Glasses of different matrix (phosphate, borate, silicate and lead-silicate) were studied for their optical properties. The effect of Er dopant on transmittance and luminescence properties was presented. The significant “red shift” and “blue shift” of UV edge absorption were discussed based on the changes in the framework of the borate and phosphate glasses, respectively. It was showed that the integral intensity of the two main optical absorption transitions monotonically increases with the order: phosphate < borate < silicate < lead-silicate. Ellipsometric measurement was applied to obtain the refractive index of the glasses. The correlation between the shift of edge absorption and the change of refractive index was presented. Effect of glassy matrix on luminescence of Er³⁺ was discussed.     

The Etiology of Cholelithiasis in Children and Adolescents—A Literature Review

The incidence of gallstone disease has increased in recent years. The pathogenesis of cholelithiasis is not fully understood. The occurrence of the disease is influenced by both genetic and environmental factors. This article reviews the literature on cholelithiasis in children, with the exception of articles on hematological causes of cholelithiasis and cholelithiasis surgery. The aim of this review is to present the latest research on the pathogenesis of gallstone disease in children. The paper discusses the influence of all factors known so far, such as genetic predisposition, age, infections, medications used, parenteral nutrition, and comorbidities, on the development of gallstone disease. The course of cholelithiasis in the pediatric population is complex, ranging from asymptomatic to life-threatening. Understanding the course of the disease and predisposing factors can result in a faster diagnosis of the disease and administration of appropriate treatment.     

Preliminary Evidence of the Potent and Selective Adenosine A2B Receptor Antagonist PSB-603 in Reducing Obesity and Some of Its Associated Metabolic Disorders in Mice

The adenosine A_2A and A_2B receptors are promising therapeutic targets in the treatment of obesity and diabetes since the agonists and antagonists of these receptors have the potential to positively affect metabolic disorders. The present study investigated the link between body weight reduction, glucose homeostasis, and anti-inflammatory activity induced by a highly potent and specific adenosine A_2B receptor antagonist, compound PSB-603. Mice were fed a high-fat diet for 14 weeks, and after 12 weeks, they were treated for 14 days intraperitoneally with the test compound. The A₁/A_2A/A_2B receptor antagonist theophylline was used as a reference. Following two weeks of treatment, different biochemical parameters were determined, including total cholesterol, triglycerides, glucose, TNF-α, and IL-6 blood levels, as well as glucose and insulin tolerance. To avoid false positive results, mouse locomotor and spontaneous activities were assessed. Both theophylline and PSB-603 significantly reduced body weight in obese mice. Both compounds had no effects on glucose levels in the obese state; however, PSB-603, contrary to theophylline, significantly reduced triglycerides and total cholesterol blood levels. Thus, our observations showed that selective A_2B adenosine receptor blockade has a more favourable effect on the lipid profile than nonselective inhibition.     

The Consequences of Water Interactions with Nitrogen-Containing Carbonaceous Quantum Dots—The Mechanistic Studies

Despite the importance of quantum dots in a wide range of biological, chemical, and physical processes, the structure of the molecular layers surrounding their surface in solution remains unknown. Thus, knowledge about the interaction mechanism of Nitrogen enriched Carbonaceous Quantum Dots’ (N-CQDs) surface with water—their natural environment—is highly desirable. A diffusive and Stern layer over the N-CQDs, characterized in situ, reveals the presence of anionic water clusters [OH(H₂O)_n]⁻. Their existence explains new observations: (i) the unexpectedly low adsorption enthalpy (ΔH_ads) in a pressure range below 0.1 p/p_s, and ΔH_ads being as high as 190 kJ/mol at 0.11 p/p_s; (ii) the presence of a “conductive window” isolating nature—at p/p_s below 0.45—connected to the formation of smaller clusters and increasing conductivity above 0.45 p/p_s, (iii) Stern layer stability; and (iv) superhydrophilic properties of the tested material. These observables are the consequences of H₂O dissociative adsorption on N-containing basic centers. The additional direct application of surfaces formed by N-CQDs spraying is the possibility of creating antistatic, antifogging, bio-friendly coatings.     

Daily Treatment of Mice with Type 2 Diabetes with Adropin for Four Weeks Improves Glucolipid Profile,Reduces Hepatic Lipid Content and Restores Elevated Hepatic Enzymes in Serum

Adropin is a peptide hormone encoded by Energy Homeostasis Associated gene. Adropin modulates energy homeostasis and metabolism of lipids and carbohydrates. There is growing evidence demonstrating that adropin enhances insulin sensitivity and lowers hyperlipidemia in obese mice. The aim of this study was to investigate the effects of daily administration of adropin for four weeks in mice with experimentally induced type 2 diabetes (T2D). Adropin improved glucose control without modulating insulin sensitivity. Adropin reduced body weight, size of adipocytes, blood levels of triacylglycerol and cholesterol in T2D mice. T2D mice treated with adropin had lower liver mass, reduced hepatic content of triacylglycerol and cholesterol. Furthermore, adropin attenuated elevated blood levels of hepatic enzymes (ALT, AST, GGT and ALP) in T2D mice. In T2D mice, adropin increased the circulating adiponectin level. Adropin had no effects on circulating insulin and glucagon levels and did not alter pancreatic islets morphology. These results suggest that adropin improves glucose control, lipid metabolism and liver functions in T2D. In conjunction with reduced lipid content in hepatocytes, these results render adropin as an interesting candidate in therapy of T2D.     

Papaya Leaf Extracts as Potential Dengue Treatment: An In-Silico Study

Dengue fever (DF), dengue hemorrhagic fever (DHF), and dengue shock syndrome (DSS) cause serious public health problems, with nearly 390 million people affected and 20,000 deaths per year in tropical and subtropical countries. Despite numerous attempts, no antiviral drug or vaccine is currently available to combat the manifestation. The challenge of discovering an efficient vaccine is enhanced by the surplus presence of efficient vectors and drug resistance from the virus. For centuries, papaya (Carica papaya) extracts have been traditionally used to treat DF, DHF, and DSS. In the present study, we systematically investigated seven compounds isolated from papaya leaf extract with regard to their potential as inhibitors for non-structural (NS) proteins, NS3 and NS5, which play a crucial role in viral RNA replication. The computational tools applied stretched across classical molecular docking, molecular dynamics (MD) simulations and SwissADME used to calculate binding affinities; binding free energies; Absorption, Distribution, Metabolism, and Excretion (ADME); and drug-likeness properties, thus, identifying Kaempferol, Chlorogenic acid, and Quercetin as potential candidates, with Kaempferol and Quercetin scoring best. Therefore, for the Kaempferol and Quercetin complexes, hybrid quantum mechanical/molecular mechanical (QM/MM) geometry and frequency calculations were performed, followed by the local mode analysis developed in our group to quantify Kaempferol-NS and Quercetin-NS hydrogen bonding. Given the non-toxic nature and the wide availability of the Kaempferol and Quercetin papaya extract in almost all of the susceptible regions, and our results showing high NS3 and NS5 binding affinities and energies, strong hydrogen bonding with both NS3 and NS5, and excellent ADME properties, we suggest Kaempferol and Quercetin as a strong NS3 and NS5 inhibitor to be further investigated in vitro.