Hydration and translocation of an excess proton in water clusters: an ab initio molecular dynamics study

The hydration structure and translocation of an excess proton in hydrogen bonded water clusters of two different sizes are investigated by means of finite temperature quantum simulations. The simulations are performed by employing the method of Car-Parrinello molecular dynamics where the forces on the nuclei are obtained directly from 'on the fly' quantum electronic structure calculations. Since no predefined interaction potentials are used in this scheme, it is ideally suited to study proton translocation processes which proceed through breaking and formation of chemical bonds. The coordination number of the hydrated proton and the index of oxygen to which the excess proton is attached are calculated along the simulation trajectories for both the clusters

Fabrication and Release Kinetics of Liposomes Containing Leuprolide Acetate

The present work is focused on the preparation and in vitro release kinetics of liposomal formulation of Leuprolide Acetate. In this work, “Thin Lipid Film Hydration Method” was used for preparation of Leuprolide Acetate loaded liposomes. Prepared liposomal formulations of Leuprolide acetate was evaluated by drug entrapment study, in-vitro drug release kinetics and stability studies. The percentage drug entrapment of Leuprolide acetate for F1 and F2 formulations were found to be 78.14 ± 0.67 and 66.70 ± 0.81% respectively. In-vitro drug release study of liposomal formulations had shown zero order release pattern. Regression co-efficient (R2) value of Zero order kinetics for F1 and F2 formulations were 0.9912 and 0.9676 respectively. After storing formulations for 1 month, stability testing was done at 40C.It was found that all batches were stable. These liposomal formulations of Leuprolide acetate can be formulated for parenteral application to treat prostate cancer and in women, to treat symptoms of endometriosis (overgrowth of uterine lining outside of the uterus) or uterine fibroids

Water Resource Management Of Simlapal Micro- Watershed Using Rs- Gis Based Universal Soil

Abstract: Water is one of the essential natural resource for the very survival of life on the planet Earth. Demand for water is increasing day by day, with the ever increasing population, resulted severe water crisis. We need water for agriculture, industry, human and cattle consumption. The available water is also affected by problem of pollution and contamination. Therefore it is very important to manage this very essential resource in a sustainable manner. Hence, we need proper management and development plan to conserve, restore or recharge water, where soil loss is very high due to various topographical conditions. The USLE (Universal Soil Loss Equation) method is one of the significant RS-GIS tools for prioritization of micro watersheds. A watershed is an ideal unit for study and to implement any model of water management towards achieving sustainable development. The significant factors for the planning and development of a watershed are its physiography, drainage, geomorphology, soil, land use/land cover and available water resources. In the current study, the micro-watershed priority fixation has been adopted under USLE model using Remote Sensing data. SRTM DEM, rainfall data and soil maps have been used to derive various thematic layers. The study area (Simlapal, W.B.) was subjected to USLE model of classifying and prioritizing the micro watersheds. The study area is divided into 22 sub-watersheds with areas ranging from 25 to 30 sq. km from the drainage map. Again each sub-watershed is divided into micro-watersheds with areas ranging from 5to10 sq. km. Thus 77 micro-watersheds were delineated for the present study area, considering all the controlling factors. Based on the results the 77 micro- watersheds could be prioritized in to five ranges viz very high, high, medium, low and very low

Raman vibrational dynamics of hydrated ions in the low-frequency spectral region

The hydration structure of ions in aqueous environments can have a significant influence on their chemical and biological properties. Due to its inherent dynamical character, determination of the hydration shell around dissolved ions has proved challenging, mainly so for cations such as sodium and potassium which form diffuse and dynamic hydrating structures. The low frequency polarized Raman spectrum, as retrieved by time resolved isotropic optical Kerr effect measurements, is sensitive to structural fluctuations and can reveal information about ion-water interactions through their Raman active vibrational modes. Here we study a series of mixtures of sodium, potassium and lithium hydroxide solutions by changing cation concentration pairwise (namely, sodium/potassium or sodium/lithium) while keeping constant the hydroxide concentration. The hydroxide-water hydrogen bond vibration, which produces a well-defined isotropic Raman mode, appears at higher frequencies from the cation-water Raman active vibrations. In addition to previously reported lithium-water low frequency vibrations, clear spectral features could be resolved from the concentration studies and assigned to sodium-water hydration shell vibrations. However, potassium related low frequency spectral features remain elusive. The same method was applied to mixtures of the same cations with a halide anion (chloride) in order to rule out any specific features related to the dissolved hydroxide anion. Comparison between halide and hydroxide measurements confirmed the presence of the cation modes and further revealed a low frequency spectral feature related to hydroxide induced changes in water polarizability

Prevalence of nonalcoholic fatty liver disease in type 2 diabetes mellitus patients from the Eastern region of India

Objective: The risk of nonalcoholic fatty liver disease (NAFLD) is increased significantly in individuals having Type 2 diabetes mellitus (T2DM) and the presence of T2DM enormously drives NAFLD progression. However, in clinical practice, it is overlooked despite the significant clinical effects of NAFLD in T2DM. Our study aimed to estimate the prevalence of NAFLD in T2DM patients from the eastern region of India. Methods: This cross-sectional study assessed 132 T2DM patients for NAFLD. Anthropometry and lipid estimations were done in all the individuals. Hepatic fibrosis was diagnosed by transient elastography (TE) using a TOUCH 502 Fiber Scanner using M‑probe. A fibrosis score ≥ 11 kgpascals (kPa) was used to define advanced fibrosis (F3). Results: Overall prevalence of NAFLD in T2DM patients was 57% (75/132 subjects) and the prevalence is higher in males (54.6%). Results showed that approximately 26% of patients with NAFLD will develop into NASH, among them 37.3% developed mild to moderate steatosis and 26.6% developed severe steatosis. Conclusion: The prevalence of NAFLD is high in the eastern region of India, need for early diagnosis and treatment of NAFLD in T2DM. The use of TE with other serum markers can be helpful for the diagnosis of advanced fibrosis