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5Pd2.3Cu26.9Si16.3 was modelled using classical nucleation theory with the Johnson-Mehl-Avrami-Kolmogorov (JMAK) equation, enabling a determination of the interfacial energy. © 2020 IOP Publishing Ltd.Nanostructured Transition Metal Oxides (TMO) is the potential materials widely explored by researchers for energy storage applications. In this study, spinel trimanganese tetraoxide (Mn3O4) and cobalt doped trimanganese tetraoxide (Co-Mn3O4) was synthesized by using simple solvent assisted hydrothermal route. Pure Mn3O4 and Co-Mn3O4 nanomaterials were characterized by X-ray diffractometer (XRD), Fourier Transform Infrared spectroscopy (FTIR), UV-Diffuse Reflectance Spectroscopy (UV-DRS), Field Emission Scanning Electron Microscope (FESEM), and High Resolution Transmission Electron Microscope (HRTEM). XRD analysis revealed the body centered tetragonal spinel structure of Mn3O4 and Co-Mn3O4 with space group as l41/amd (141) and approximate crystallite size as 45-33nm. The presence of Mn-O bond vibration was confirmed using FTIR and the band gap properties were analyzed through UV-DRS. Surface morphology and average grain size were examined using FESEM and HRTEM micrographs as nanosquares and nanospheres with diameter 126nm and 118nm respectively. Electrochemical properties of Mn3O4 and Co-Mn3O4 were evaluated using cyclic voltammograms, charge-discharge curves, and Electrochemical Impedance Spectra (EIS). Pure Mn3O4 showed a specific capacitance of 971F/g at 0.1A/g current density while Co-Mn3O4 achieved relatively higher specific capacitance of 1852F/g at the same current density. It is observed that the increased specific capacitance of Co-Mn3O4 mainly arises from the doping effect. Electrochemical analysis shows that the Co doped Mn3O4 nanomaterials can be a promising electrode material for supercapacitor. © 2020 IOP Publishing Ltd.Stereolithography, Nanocomposites, Electrical properties, Interfacial region, Trap levels, Hydrogen bonding. © 2020 IOP Publishing Ltd.First-principles calculations based on density-functional theory in the pseudo-potential approach have been performed for the total energy, crystal structure and cell polarization for SrTaO$_2$N/SrTiO$_3$ heterostructures. Different heterojunctions were analyzed in terms of the termination atoms at the interface plane, and periodic or non-periodic stacking in the perpendicular direction. The calculations show that the SrTaO$_2$N layer is compressed along the $ab$-plane, while the SrTiO$_3$ is elongated, thus favoring the formation of P4mm local environment on both sides of the interface, leading to net macroscopic polarization. PI3K inhibitor The analysis of the local polarization as a function of the distance to the interface, for each individual unit cell was found to depend on the presence of a N or an O atom at the interface, and also on the asymmetric and not uniform $c$-axis deformation due to the induced strain in the $ab$-plane. The resulting total polarization in the periodic array was $ \approx 0.54$ C/m$^2$, which makes this type of arrangement suitable for microelectronic applications. © 2020 IOP Publishing Ltd.In the past decade, many gas-phase spectroscopic investigations have focused on the understanding of the nature of weak interactions in model systems. Despite the fact that non-covalent interactions play a key role in several biological and technological processes, their characterization and interpretation are still far from being satisfactory. In this connection, integrated experimental and computational investigations can play an invaluable role. Indeed, a number of different issues relevant to unraveling the properties of bulk or solvated systems can be addressed from experimental investigations on molecular complexes. Focusing on the interaction of biological model systems with solvent molecules (e.g., water), since the hydration of the biomolecules controls their structure and mechanism of action, the study of the molecular properties of hydrated systems containing a limited number of water molecules (microsolvation) is the basis for understanding the solvation process and how structure and reactivity vary from gas phase to solution. Although hydrogen bonding is probably the most widespread interaction in nature, other emerging classes, such as halogen, chalcogen and pnicogen interactions, have attracted much attention because of the role they play in different fields. Their understanding requires, first of all, the characterization of the directionality, strength, and nature of such interactions as well as a comprehensive analysis of their competition with other non-covalent bonds. In this review, it is shown how state-of-the-art quantum-chemical computations combined with rotational spectroscopy allow for fully characterizing intermolecular interactions taking place in molecular complexes from both structural and energetic points of view. The transition from bi-molecular complex to microsolvation and then to condensed phase is shortly addressed. © 2020 IOP Publishing Ltd.Peritoneal membrane damage during chronic peritoneal dialysis is the main cause of that treatment failure. Preservation of the mesothelial cells (MC) is important for the survival of the peritoneum. Evaluation of dialysates effect on the function of MC and potential modification of that effect by sulodexide (heparin 80% and dermatan sulfate 20%). Dialysate effluents, after the overnight exchange with dianeal 1.5% dextrose, were collected from 7 continuous ambulatory peritoneal dialysis (CAPD) patients, and their effect ± sulodexide 0.5 LRU/mL on genes expression, secretory activity and protein synthesis in MC was studied. Exposure of MC to the studied dialysates caused intracellular oxidative stress and significantly increased expression of the genes regulating the synthesis of interleukin-6 (IL-6), monocyte chemoattractant protein-1 (MCP-1), transforming growth factor-beta (TGF-β), vascular cell adhesion molecule 1 (VCAM-1) and vascular endothelial growth factor (VEGF). Secretion of the studied molecules from MC treated with dialysates was increased by 96% for IL-6 (P less then 0.01), 34% for MCP-1(P less then 0.01), 24% for TGF-β (P less then 0.01), 27% for VCAM-1 (P less then 0.01), and by 15% for VEGF (P less then 0.01). Sulodexide reduced the stimulatory effect of the dialysates on the intracellular generation of free radicals, genes expression and secretory activity of MC. These cells exposed to the dialysates showed increased synthesis of total protein (by 216%, P less then 0.005) and collagen (by 264%, P less then 0.005), as compared to standard culture medium. Supplementation of the dialysates with sulodexide resulted in weaker stimulation of collagen synthesis (-21% versus dialysate). We concluded that peritoneal dialysate changes the genes expression and phenotype of MC to a proinflammatory, profibrotic and proangiogenic one. Sulodexide reduces these negative effects of the dialysate.