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1.
Unraveling the role of superalkalis in modulating the static and dynamic hyperpolarizabilities of emerging calix[4]arenes.
Phys Chem Chem Phys
; 26(8): 6794-6805, 2024 Feb 22.
Article
in English
| MEDLINE | ID: mdl-38323625
2.
Photoswitchable nonlinear optical properties of azobenzene-based supramolecular complexes: insights from density functional theory.
Phys Chem Chem Phys
; 25(30): 20430-20450, 2023 Aug 02.
Article
in English
| MEDLINE | ID: mdl-37466347
3.
Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes.
Molecules
; 28(17)2023 Aug 28.
Article
in English
| MEDLINE | ID: mdl-37687112
4.
Exploring the inhibitory potential of novel piperidine-derivatives against main protease (Mpro) of SARS-CoV-2: A hybrid approach consisting of molecular docking, MD simulations and MMPBSA analysis.
J Mol Liq
; 382: 121904, 2023 Jul 15.
Article
in English
| MEDLINE | ID: mdl-37151376
5.
Microwave-assisted synthesis of carbon dots as reductant and stabilizer for silver nanoparticles with enhanced-peroxidase like activity for colorimetric determination of hydrogen peroxide and glucose.
Mikrochim Acta
; 187(2): 135, 2020 01 16.
Article
in English
| MEDLINE | ID: mdl-31950357
6.
Development of novel hydrophilic ionic liquid membranes for the recovery of biobutanol through pervaporation.
J Environ Manage
; 251: 109618, 2019 Dec 01.
Article
in English
| MEDLINE | ID: mdl-31563603
7.
Sulfonyl hydrazones derived from 3-formylchromone as non-selective inhibitors of MAO-A and MAO-B: Synthesis, molecular modelling and in-silico ADME evaluation.
Bioorg Chem
; 75: 291-302, 2017 12.
Article
in English
| MEDLINE | ID: mdl-29065322
8.
Organocatalyzed solvent free an efficient novel synthesis of 2,4,5-trisubstituted imidazoles for α-glucosidase inhibition to treat diabetes.
Bioorg Chem
; 58: 65-71, 2015 Feb.
Article
in English
| MEDLINE | ID: mdl-25462626
9.
Eco-friendly synthesis of mesoporous bioactive glass ceramics and functionalization for drug delivery and hard tissue engineering applications.
Biomed Mater
; 19(3)2024 Mar 12.
Article
in English
| MEDLINE | ID: mdl-38387057
10.
Frequency-dependent nonlinear optical response and refractive index investigation of lactone-derived thermochromic compounds.
J Mol Graph Model
; 126: 108646, 2024 01.
Article
in English
| MEDLINE | ID: mdl-37816302
11.
Enhancing Water Purification by Integrating Titanium Dioxide Nanotubes into Polyethersulfone Membranes for Improved Hydrophilicity and Anti-Fouling Performance.
Membranes (Basel)
; 14(5)2024 May 17.
Article
in English
| MEDLINE | ID: mdl-38786950
12.
Exploring the Sensing Potential of g-C3N4 versus Li/g-C3N4 Nanoflakes toward Hazardous Organic Volatiles: A DFT Simulation Study.
ACS Omega
; 9(3): 3541-3553, 2024 Jan 23.
Article
in English
| MEDLINE | ID: mdl-38284053
13.
Therapeutic potential of oxo-triarylmethyl (oxTAM) as a targeted drug delivery system for nitrosourea and fluorouracil anticancer drugs; A first principles insight.
J Mol Graph Model
; 122: 108469, 2023 07.
Article
in English
| MEDLINE | ID: mdl-37068440
14.
Alkali metals doped cycloparaphenylene nanohoops: Promising nonlinear optical materials with enhanced performance.
Heliyon
; 9(11): e21508, 2023 Nov.
Article
in English
| MEDLINE | ID: mdl-38027972
15.
Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C6O6Li6 electrides.
Heliyon
; 9(8): e18264, 2023 Aug.
Article
in English
| MEDLINE | ID: mdl-37533989
16.
Task-specific polymeric membranes to achieve high gas-liquid mass transfer.
Chemosphere
; 313: 137603, 2023 Feb.
Article
in English
| MEDLINE | ID: mdl-36549512
17.
Surface engineered mesoporous silica carriers for the controlled delivery of anticancer drug 5-fluorouracil: Computational approach for the drug-carrier interactions using density functional theory.
Front Pharmacol
; 14: 1146562, 2023.
Article
in English
| MEDLINE | ID: mdl-37124235
18.
Decorating Mg12O12 Nanocage with Late First-Row Transition Metals To Act as Single-Atom Catalysts for the Hydrogen Evolution Reaction.
ACS Omega
; 8(41): 37820-37829, 2023 Oct 17.
Article
in English
| MEDLINE | ID: mdl-37867697
19.
Enhanced nonlinear optical response of alkalides based on stacked Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane.
Heliyon
; 9(9): e19325, 2023 Sep.
Article
in English
| MEDLINE | ID: mdl-37662734
20.
Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications.
J Mol Model
; 28(12): 395, 2022 Nov 21.
Article
in English
| MEDLINE | ID: mdl-36414764