Adsorption properties of dacarbazine with graphene/fullerene/metal nanocages–reactivity, spectroscopic and SERS analysis

JS Al-Otaibi, YS Mary, YS Mary, Z Ullah… - … Acta Part A: Molecular …, 2022 - Elsevier
Drug delivery devices are an effective way to minimize anticancer drug toxicity and
nanostructures are used in the targeted drug delivery. In the present work, adsorption and …

Third-order nonlinear optical studies of two novel chalcone derivatives using Z-scan technique and DFT method

E Mathew, VV Salian, IH Joe, B Narayana - Optics & Laser Technology, 2019 - Elsevier
The present study reports the theoretical and experimental investigations of nonlinear
optical properties of two novel chalcone derivatives namely (2E)-1-(Anthracen-9-yl)-3-(4 …

DFT, SERS-concentration and solvent dependent and docking studies of a bioactive benzenesulfonamide derivative

YS Mary, YS Mary, M Krátký, J Vinsova… - Journal of Molecular …, 2021 - Elsevier
Spectroscopic analysis, DFT studies and surface enhanced Raman scattering (SERS) of
antimicrobial bioactive 4-[(5-tert-butyl) 2-hydroxybenzylidene] amino-N-(4, 6 …

Utilization of doped/undoped graphene quantum dots for ultrasensitive detection of duphaston, a SERS platform

YS Mary, YS Mary - Spectrochimica Acta Part A: Molecular and …, 2021 - Elsevier
Recently nanocluster based drug delivery systems have become the most skillful to study.
Interaction mechanism of duphaston (DPH) over graphene (G), carboxyl substituted …

Silver-loaded graphene as an effective SERS substrate for clotrimazole detection: DFT and spectroscopic studies

AT Onawole, SA Popoola, TA Saleh… - Spectrochimica Acta Part …, 2018 - Elsevier
Vibrational infrared, Raman and surface-enhanced Raman scattering (SERS) spectra of
clotrimazole (CTZ) were documented and evaluated. Density-functional theory, B3LYP/6 …

DFT, molecular docking and SERS (concentration and solvent dependant) investigations of a methylisoxazole derivative with potential antimicrobial activity

YS Mary, YS Mary, M Krátký, J Vinsova… - Journal of Molecular …, 2021 - Elsevier
Spectroscopic analysis, DFT studies and surface enhanced Raman scattering of
antimicrobial bioactive 4-[(2‑hydroxy-3, 5-diiodobenzylidene) amino]-N-(5-methylisoxazole …

[HTML][HTML] An in-depth study of the synthesis, electronic framework, and pharmacological profiling of 1-(anthracen-9-yl)-N-(4-nitrophenyl) methanimine: In vitro and in …

KJ Rajimon, N Sreelakshmi, DSR Nair, NF Begum… - Chemical Physics …, 2024 - Elsevier
The synthesis, electrical structure, and biological characteristics of Schiff bases produced
from nitro aniline and 9-anthraldehyde have been thoroughly investigated in this work …

Spectroscopic investigations, concentration dependent SERS, and molecular docking studies of a benzoic acid derivative

MC Gamberini, YS Mary, YS Mary, M Krátký… - … Acta Part A: Molecular …, 2021 - Elsevier
Spectroscopic analysis, density functional theory (DFT) studies and surface enhanced
Raman scattering of 4-((3-bromo-5-chloro-2-hydroxybenzylidene) amino) benzoic acid …

Experimental and theoretical approach on third-order optical nonlinearity of a highly efficient anthracene-based chalcone derivative for optical power limiting

E Mathew, VV Salian, B Narayana, IH Joe - Journal of Molecular Structure, 2022 - Elsevier
Herein the study reports a dual approach on theoretical and experimental studies of
nonlinear optical properties of a novel chalcone derivative,(2E)-1-(Anthracen-9-yl)-3 …

Investigation on synthesized sulfonamide Schiff base with DFT approaches and in silico pharmacokinetic studies: Topological, NBO, and NLO analyses

MM Abedin, TK Pal, MC Sheikh, MA Alam - Heliyon, 2024 - cell.com
The sulfonamide Schiff base (C 16 H 14 N 4 O 3 S) was successfully synthesized and
experimentally ascertained. The main purpose of this research is to investigate the geometry …