Green synthesis and characterizations of silver nanoparticles with enhanced antibacterial properties by secondary metabolites of Bacillus subtilis (SDUM301120)
X Yu, J Li, D Mu, H Zhang, Q Liu… - Green Chemistry Letters …, 2021 - Taylor & Francis
Silver nanoparticles (AgNPs) have been exploited for their broad-spectrum antibacterial
effects and their vast applications, which are generating interest of researchers towards …
effects and their vast applications, which are generating interest of researchers towards …
Experimental and computational evaluation of syringic acid–structural, spectroscopic, biological activity and docking simulation
The single crystal of syringic acid was crystallized by slow evaporation technique and
characterized using XRD, FTIR, FT-Raman, and UV-Vis spectroscopy. XRD confirms the …
characterized using XRD, FTIR, FT-Raman, and UV-Vis spectroscopy. XRD confirms the …
Ag nanoparticles decorated Ag@ ZrO2 composite nanospheres as highly active SERS substrates for quantitative detection of hexavalent chromium in waste water
L Zhou, J Yang, X Wang, G Song, F Lu, L You… - Journal of Molecular …, 2020 - Elsevier
A novel highly active surface enhanced Raman scattering (SERS) substrate of Ag
nanoparticles decorated Ag@ ZrO 2 composite nanosphere was prepared and …
nanoparticles decorated Ag@ ZrO 2 composite nanosphere was prepared and …
TD-DFT, DFT, docking, MD simulations, and concentration-dependent SERS investigations of a bioactive trifluoromethyl derivative having human acetylcholinesterase …
JS Al-Otaibi, YS Mary, YS Mary, M Krátký… - Journal of Molecular …, 2023 - Springer
Context Various concentrations of (E)-4-methoxy-N′-(2-(trifluoromethyl) benzylidene)
benzohydrazide (EMT) adsorbed on colloidal silver nanoparticles were studied using SERS …
benzohydrazide (EMT) adsorbed on colloidal silver nanoparticles were studied using SERS …
Combinatorial Effect of Syringic Acid-Pyrazinamide Adduct against Luminal Type Breast Cancer Investigated through DFT, Drug-Likeness, and Molecular Docking …
Luminal type breast cancer is a type of breast cancer that has a favorable prognosis in
comparison to other forms. In accordance with the proliferation index, luminal-type breast …
comparison to other forms. In accordance with the proliferation index, luminal-type breast …
DFT, TD-DFT and SERS analysis of a bioactive benzohydrazide's adsorption in silver hydrosols at various concentrations
JS Al-Otaibi, YS Mary, YS Mary, M Krátký… - Journal of Molecular …, 2023 - Elsevier
SERS was used to analyze the surface adsorption of a benzohydrazide derivative on silver
nanoparticles. Density functional theory (DFT) calculations were used to determine the …
nanoparticles. Density functional theory (DFT) calculations were used to determine the …
Concentration dependent SERS study of a bioactive methylsulfonyl derivative
JS Al-Otaibi, YS Mary, YS Mary, M Krátký… - Journal of Molecular …, 2022 - Elsevier
Concentration dependent surface enhanced Raman scattering (SERS) studies of
biologically active methylsulfonyl derivative (BMSP) are reported. Out of various …
biologically active methylsulfonyl derivative (BMSP) are reported. Out of various …
Spectroscopic, quantum chemical and molecular docking studies on 1-amino-5-chloroanthraquinone: A targeted drug therapy for thyroid cancer
T Valarmathi, R Premkumar, MR Meera… - Spectrochimica Acta Part …, 2021 - Elsevier
The DFT studies of the 1-Amino-5-chloro-anthraquinone (ACAQ) molecule have been
carried out with extensive and accurate investigations of detailed vibrational and …
carried out with extensive and accurate investigations of detailed vibrational and …
Adsorption and orientation characteristics of 1-methylpyrrole-2-carbonyl chloride using SERS and DFT investigations
In the present investigation, the conformational analysis was carried out to predict the most
stable molecular structure of the 1-Methylpyrrole-2-carbonyl chloride (MPCC) molecule …
stable molecular structure of the 1-Methylpyrrole-2-carbonyl chloride (MPCC) molecule …
Surface enhanced Raman scattering investigation of pioglitazone on silver and silver-gold metal substrates–Experimental analysis and theoretical modeling
P Albrycht, JS Al-Otaibi, YS Mary, YS Mary… - Journal of Molecular …, 2021 - Elsevier
Surface enhanced Raman scattering (SERS) is a spectroscopic technique for trace analysis
where the efficiency depends on the substrate. In the present work, concentration …
where the efficiency depends on the substrate. In the present work, concentration …