Browsing by Author "Bansal, A."

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    Characterization, activity and process optimization with a biomass-based thermal power plant's fly ash as a potential catalyst for biodiesel production
    (Royal Society of Chemistry, 2015) Kumar, P.; Aslam, M.; Singh, N.; Mittal, S.; Bansal, A.; Jha, M.K.; Sarma, A.K.
    A typical thermal power plant operated using a solid biomass mixture as fuel, which comprised 70-80% gram straw, 10-15% cotton straw, 5-10% wheat straw and leaves (2%) with a small quantity of coal (1-2%) initially used for smooth ignition, produces a residue called Biomass-Based Thermal Power Plant Fly Ash (BBTPFS). BBTPFS was investigated for composition and structural characterization using different techniques. The versatile composition of the BBTPFS was confirmed by XRF analysis that indicated the weight percent of different components viz. CaO (30.74%), SiO2 (27.87%), K2O (13.96%), MgO (6.67%), SO3 (4.83%), Cl (3.36%), Al2O3 (2.83%), Fe2O3 (2.36%), P2O5 (1.34%), Na2O (1.14%), small quantities of TiO2, SrO, MnO, BaO, ZrO2, ZnO, Rb2O, Br, Cr2O3, CuO, NiO and As2O3 as active ingredients. The SEM and TEM image analysis showed the surface morphology of the BBTPFS which was found to be mixed in nature, having 1 to 500 nm range particles with meso, micro and macro porosity. BBTPFS was used as a catalyst for transesterification of Jatropha curcas oil having a high percentage of free fatty acids and appropriate process optimization was achieved using the Taguchi-ANOVA method. It was observed that at a temperature of 225?C and an internal vapour pressure of 3.2 MPa in a batch reactor with 5% catalyst loading, 1:9 mol mol-1 of oil-alcohol and 3 h reaction time, the optimum yield of biodiesel obtained was ?93.9%, which is in agreement with the theoretical value. The product quality was assessed and found to conform to ASTM and EN-standards. ? The Royal Society of Chemistry 2015.
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    In silico screening and molecular interaction studies of tetrahydrocannabinol and its derivatives with acetylcholine binding protein
    (Bentham Science Publishers B.V., 2018) Panigrahi, P.P.; Singla, Ramit; Bansal, A.; Comar, Junior M.; Jaitak, Vikas; Yennamalli, R.M; Singh, T.R.
    Background: Alzheimer’s disease (AD) is the fourth largest cause of death among people over 65 years of age. Accumulation of β-amyloid and cholinergic deficiency are two prominent pathological descriptions for AD. Objective: Depletion of acetylcholine at the site of its action is thought to be the prime cause of AD. It has been reported that tetrahydrocannabinol (THC) exhibits anticholinesterase activity and it has been proposed as a suitable candidate for treating neurological disorders such as AD. Methods: Using an in silico approach, including virtual screening, THC and its derivatives were docked against acetylcholine binding protein (AChBP) using AutoDock. The top-ranked molecules were studied in detail using an induced fit docking approach followed by characterization of their binding affinity, toxicity and ADME properties using TOPKAT and QikProp. Results: THC_JUIT25, a novel derivative of THC, showed maximum binding affinity and was observed as a promising candidate for performing receptor-ligand interaction studies using molecular dynamics simulation. Conclusion: In this study, we propose a novel THC derivative as a potential lead molecule in the drug development strategy for treating AD.