Jadavpur University

About: Jadavpur University is a education organization based out in Kolkata, India. It is known for research contribution in the topics: Population & Fuzzy logic. The organization has 10856 authors who have published 27678 publications receiving 422069 citations. The organization is also known as: JU & Jadabpur University.

How far can virtual screening take us in drug discovery

Abstract: Introduction: Virtual screening (VS) has emerged as an important tool in identifying bioactive compounds through computational means, by employing knowledge about the protein target or known bioactive ligands. VS has appeared as an adaptive response to the massive throughput synthesis and screening paradigm as necessity has forced the computational chemistry community to develop tools that screen against any given target and/or property millions or perhaps billions of molecules in short period of time. Areas covered: This editorial review attempts to catalog most commonly exercised VS methods, available databases for screening, advantages of VS methods along with pitfalls and technical traps with the aim to make VS as one of the most effective tools in drug discovery process. Finally, several case studies are cited where the VS technology has been applied successfully. Expert opinion: In recent times, many successful examples have been demonstrated in the field of computer-aided VS with the objective of i...

Ultrasound assisted mixed azo dye adsorption by chitosan–graphene oxide nanocomposite

Abstract: Mixed azo dyes present in various effluents may often impair adsorption efficiency thereby questioning applicability of the same in a real-time scenario. In this study, simultaneous adsorption of acid yellow 36 (AY) and acid blue 74 (AB) from their aqueous solutions was carried out with graphene oxide nanoplatelets embedded in chitosan matrix (GO–Cs–Nc) with assistance of ultrasound exposure. Results obtained were subjected to analysis for process isotherms, kinetics and thermodynamics. This process was also optimized for best results using response surface methodology (RSM) and modelled with artificial neural network (ANN). The nanocomposite was characterised both before and after adsorption using FTIR, SEM, TEM and AFM. Under the experimental conditions prescribed by RSM, 0.50 g L −1 of adsorbent was responsible for 98.18% and 98.80% removal of AY and AB respectively when exposed to 6.48 min of ultrasonic irradiation. Hence, ultrasound assisted GO–Cs–Nc proved to be a cost effective and sustainable adsorbent effective in low dosage and significantly reduced time with possible application for treatment of real industrial effluents rich in mixed dyes.

Energetics of Micellization: Reassessment by a High-Sensitivity Titration Microcalorimeter

Abstract: The critical micellar concentration (cmc) and energetics of surfactant self-organization have been reassessed at 303 K with the help of a high-sensitivity microcalorimeter. The calorimeter can oper...