Tailoring structural and optical properties of ZnO system through elemental Mn Doping through First-principles calculations

In this study, band structure and optical properties of Manganese (Mn) doped ZnO are investigated adopting first-principles study calculations. It is observed that, by addition of Mn in ZnO crystal, the electrical properties like conductivity and dielectric function of material have been improved. The elastic constants for the elements are also calculated which shows that the element is stable after addition of dopant. The computational study is done on CASTEP and Material Studio. The ZnO system is simulated and atoms of Mn has been added replacing Zn atoms. The properties that studied are band structure and optics including conductivity, reflectivity, dielectric function, absorption and refractive index. Furthermore, this study also includes calculation of Elastic constants, XRD Spectra, Phonon dispersion and Temperature profile of doped ZnO systems. The computational study produced promising results and experimental approach can be adopted to reinforce the outcomes of this study.</p

Numerical investigation of bubbles coalescence in a shear flow with diffuse-interface model

In this article, we apply the diffuse-interface model [developed by Shah and Yuan (2011) [21]] for collision and coalescence of two bubbles in a linear shear flow. The governing equations consist of a system of coupled nonlinear partial differential equations for conservation of mass, momentum and phase transport. In the two-phase flow, the diffuse-interface model relaxes certain numerical difficulties for tracking the moving interface. An artificial compressibility based numerical scheme is implemented to study the effects of surface tension on bubbles coalescence and separation. We found the critical value of the surface tension coefficient and observed that lowering the surface tension coefficient from the critical value prevent bubbles to coalesce

Pharmacokinetic, Metabolomic, and Stability Assessment of Ganoderic Acid H Based Triterpenoid Enriched Fraction of Ganoderma lucidum P. Karst

Ganoderma lucidum P. karst is an edible fungus that is used in traditional medicine and contains triterpenoids as the major phytoconstituents. Ganoderic acids are the most abundant triterpenoids that showed pharmacological activity. As Indian varieties contain ganoderic acid H (GA-H), we aimed to prepare GA-H-based triterpenoid enriched fraction (TEF) and evaluated its pharmacokinetics, metabolomics, and stability analysis. A high-performance liquid chromatography (HPLC) method was developed to quantify GA-H in TEF and rat plasma. Based on GA-H content, a stability assessment and pharmacokinetic study of TEF were also performed. After its oral administration to rats, TEF&rsquo;s the metabolic pattern recognition was performed through ultra-performance liquid chromatography mass spectroscopy (UPLC&ndash;MS). The developed HPLC method was found to be simple, sensitive, precise (&lt;15%), and accurate (&gt;90% recovery) for the quantification of GA-H. Pharmacokinetic analysis showed that GA-H reached its maximum plasma concentration (Cmax 2509.9 ng/mL) within two hours and sustained quantifiable amount up to 12 h with a low elimination rate (Kel) 0.05 L/h. TEF contained ten bioavailable constituents. The prepared TEF was found to be stable for up to one year at room temperature. The prepared TEF, enriched with ganoderic acid, is stable, contains bioavailable constituents, and can be explored as phytopharmaceuticals for different pharmacological properties. Highlights: (1). Preparation of triterpenoid enriched fraction (TEF) from Ganoderma lucidum. (2). Major triterpenoid in TEF is ganoderic acid H (GA-H). (3). TEF contains several bioavailable phytoconstituents. (4). TEF (considering only GA-H) is stable for up to one year at room temperature. (5). GA-H is rapidly absorbed and has high systemic exposure

Preparation, characterization and evaluation of hydrogels from different fractions of diverse medicinal plants for management of pain and inflammation

ABSTRACTDamage to body tissue either deeply or superficially causes pain sensation in response to which Inflammation occurs which is a normal protective natural response of the body to a variety of hostile agents. Different treatment options, including conventional and herbal therapies, are available for pain and inflammation. This study was designed to evaluate the polyherbal n-hexane and methanolic extracts and their hydrogel formulations prepared from commonly available medicinal plants for their analgesic and anti-inflammatory potential. Cinnamomum verum J. (bark), Moringa oleifera L. (leaves), Nigella sativa L. (seed), and Trigonella foenum graecum L. (seed) were collected and purchased from the vicinity and local market of Multan Punjab, Pakistan. After drying, extraction was carried out by maceration separately with two different solvents (methanol and n-hexane). An equal quantity of all methanolic and n-hexane extracts was used to formulate polyherbal methanolic and n-hexane extracts separately. Then 1%, 3%, and 5% pH-based hydrogel formulations of methanolic and n-hexane polyherbal extract were prepared. All prepared six formulations were evaluated for pH, rheological study, spreadability, extrudability, stability study, texture, color, and for toxicological study.Then analgesic and anti-inflammatory potential of methanol and n-Hexane polyherbal extracts at (200, 400 and 800.0 mg/kg) in comparison with diclofenac sodium (100 mg/kg) and prepared gel formulations (1%, 3%, and 5%) were also evaluated in comparison to diclofenac sodium 1% gel (standard drug). Both polyherbal extracts and their gel formulations have significant analgesic and anti-inflammatory potential but methanolic extract and its hydrogel have slightly more potential as compared to n-hexane extracts and its prepared hydrogel. Results also revealed that their gel formulations have more significant analgesic and anti-inflammatory potentials as compared to extracts. All pH-based gels have good texture, spreadability, extrudability, stability, and are safe to use. It is concluded that methanolic polyherbal extract and hydrogel prepared from methanolic extract have more analgesic and anti-inflammatory potential as compare to n-Hexane extract and hydrogel prepare from n-Hexane extract