studies of triazole derivatives as inhibitors for estrogen receptor (ER) mutant L536S and anaplastic lymphoma kinase: DFT/tD-DFT, molecular docking, and MD simulations.

From the most prevalent cancers, breast and lung cancers have a meager survival rate for both men and women. These two cancers are related to each other. Breast cancer can possibly spread to the lungs or the region between the lung and the chest wall.

Efficacy and safety of topical 2% rebamipide ophthalmic suspension in dry eye disease at tertiary care centre.

Purpose: To evaluate the effect and side effects of topical 2% rebamipide ophthalmic suspension in dry eye disease.

Method: This prospective randomized case control study included total 80 patients (40 cases and 40 controls) of dry eye. Symptoms were graded according to OSDI scoring system and specific tests for dry eye included Tear film breakup time (TBUT), Schirmer's test, Fluorescein corneal staining (FCS), Rose Bengal staining) were performed.

Heteroleptic Cu(I) bis-diimine complexes as sensitizers in dye-sensitized solar cells (DSSCs): on some factors affecting intramolecular charge transfer.

A set of eight heteroleptic bis-diimine copper dye complexes with two different ancillary ligands (functionalised 2,9-dimethyl-1,10-phenanthroline (dmp) and functionalised 6,6'-diphenyl-2,2'-bipyridine (dpbpy)) are investigated for their potential use as sensitizers in dye-sensitized solar cells (DSSCs), using first principles density functional theory (DFT) and time dependent DFT (TDDFT). A detailed analysis of the structural properties, projected density of electronic states and Kohn-Sham energy levels, and optical absorption spectra in the UV-visible region reveals that substituting the thiophene group in the ancillary ligand, and enhancing conjugation in the anchoring ligand, lead to increase in the light harvesting efficiency (LHE). However, a natural transition orbital (NTO) analysis, shows that the nature of charge transfer depends mainly on the nature of the parent ancillary group and is not significantly affected by the structural modifications.

Evaluation of changes in corneal endothelium in chronic kidney disease.

Purpose: Chronic kidney disease (CKD) is an emerging health problem worldwide. In CKD corneal endothelial changes also occur probably due to accumulation of inflammatory cytokines and increased multiple toxic products. The aim of this study was to analyze the effect of CKD on corneal endothelium and correlate the findings with severity of disease with help of noninvasive technique.

Quantum dots as an electron or hole acceptor: on some factors affecting charge transfer in dye-quantum dot composites.

We report a density functional theory (DFT)/time dependent DFT (TDDFT) computational investigation on some factors affecting the nature of charge transfer in CdS quantum dots (QDs) of two different sizes attached to one or two units of dyes among three species viz., coumarine (C343), fluorescein (FLU) and NKX-2388 (NKX). The direction and nature of charge transfers have been ascertained from natural transition orbital analysis.

Density functional investigation and some optical experiments on dye-sensitized quantum dots.

Dye-sensitized quantum dots (QDs) are promising candidates for dye-sensitized solar cells (DSSCs). Here, we report steady state (absorption and photoluminescence) optical measurements on several sizes of CdS QDs ligated with Coumarin 343 dye (C-343) and two different solvents, viz., chloroform and toluene.