A comprehensive and current review on the role of flavonoids in lung cancer–Experimental and theoretical approaches
Background It is well-known that flavonoids, which can be easily obtained from many fruits
and vegetables are widely preferred in the treatment of some important diseases. Some …
and vegetables are widely preferred in the treatment of some important diseases. Some …
Synthesis and spectroscopic characterization of schiff base metal complexes, biological activity, and molecular docking studies
New cobalt (II), copper (II), and zinc (II) Schiff metal complexes were synthesized by the
condensation reaction of 4-nitrobenzene-1, 2-diamine with 3–4-(diethylamino)-2 …
condensation reaction of 4-nitrobenzene-1, 2-diamine with 3–4-(diethylamino)-2 …
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 …
Computational insights on charge transfer and non-covalent interactions of antibacterial compound 4-dimethylaminopyridinium pyridine-2-carboxylate pentahydrate
JDD Tarika, XDD Dexlin, A Rathika, DD Jayanthi… - Journal of Molecular …, 2022 - Elsevier
The proton transfer compound 4-dimethylaminopyridinium pyridine-2-carboxylate
pentahydrate was synthesized and evaluated using spectroscopic methods and quantum …
pentahydrate was synthesized and evaluated using spectroscopic methods and quantum …
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 …
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 …
Surface-enhanced Raman scattering and quantum chemical studies of 2-trifluoroacetylpyrrole chemisorbed on colloidal silver and gold nanoparticles: A comparative …
Surface-enhanced Raman scattering (SERS) studies of 2-trifluoroacetylpyrrole (TFAP)
molecule adsorbed on synthesized colloidal silver nanoparticles (SNPs) and gold …
molecule adsorbed on synthesized colloidal silver nanoparticles (SNPs) and gold …
SERS and DFT investigations of methyl 4‑bromo-1H-pyrrole-2-carboxylate adsorbed on silver and gold substrates: In perspective of biosensor applications
R Premkumar, S Hussain… - Journal of Molecular …, 2021 - Elsevier
In the present study, the spontaneous Raman spectrum and surface-enhanced Raman
scattering (SERS) spectra of Methyl 4‑bromo-1h-pyrrole-2-carboxylate (MBPC) were …
scattering (SERS) spectra of Methyl 4‑bromo-1h-pyrrole-2-carboxylate (MBPC) were …
Spectroscopic, quantum chemical and molecular docking studies on 2, 4-dimethoxy-1, 3, 5-triazine: a potent inhibitor of protein kinase CK2 for the development of …
N Akram, A Mansha, R Premkumar… - Molecular …, 2020 - Taylor & Francis
The theoretical calculations of the 2, 4-dimethoxy-1, 3, 5-triazine (DMT) molecule were
performed with the help of density functional theory (DFT) calculations using 6-311++ G (d …
performed with the help of density functional theory (DFT) calculations using 6-311++ G (d …