Understanding protein sequence and structure is essential for understanding protein–
protein interactions (PPIs), which are essential for many biological processes and diseases …

Context The development of high-efficiency photovoltaic devices is the need of time with
increasing demand for energy. Herein, we designed seven small molecule donors (SMDs) …

In this study, we reported the synthesis of 1-(4-bromobenzoyl)-1, 3-dicyclohexylurea by the
reaction of DCC (N, N′-dicyclohexylcarbodiimide) with 4-bromobenzoic acid …

A review of the literature published from January to December 2019 on theoretical aspects
of nuclear magnetic shielding is presented. It covers both non-relativistic and relativistic …

Thiosemicarbazones of isatin have been found to exhibit versatile bioactivities. In this study,
two distinct types of isatin–triazole hybrids 3a and 3b were accessed via copper-catalyzed …

Abstract Novel spiropyrazoline-indolinones (4a–t) have been synthesized successfully in
neutral deep eutectic solvents by reacting 5-Cl/Br-isatin (1a–b) with aromatic ketones (2a–b) …

The development of a test kit for selective Cu (II) sensing in water samples was carried out.
The kit system consisted in a polymeric film based in a carboxymethylcellulose hydrogel that …

Context The purpose of the S01–S05 series of end-capped modified donor chromophores is
to amplify the energy conversion efficiency of organic solar cells. Using quantum chemical …

The development of High-efficiency photovoltaic devices are the need of time with
increasing demand for energy. Herein, we designed seven small molecule donors (SMDs) …

We applied molecular docking simulations and DFT to examine the binding interactions of 4-
difluoromethyl pyrazole derivatives (3a-3h). We assessed the potential binding mechanisms …