A comprehensive and current review on the role of flavonoids in lung cancer–Experimental and theoretical approaches

Ş Berk, S Kaya, EK Akkol, H Bardakçı - Phytomedicine, 2022 - Elsevier
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 …

Synthesis and spectroscopic characterization of schiff base metal complexes, biological activity, and molecular docking studies

G Venkatesh, P Vennila, S Kaya, SB Ahmed… - ACS …, 2024 - ACS Publications
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 …

Experimental and computational evaluation of syringic acid–structural, spectroscopic, biological activity and docking simulation

A Zochedh, M Priya, C Chakaravarthy… - Polycyclic Aromatic …, 2023 - Taylor & Francis
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 …

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 …

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 …

Adsorption and orientation characteristics of 1-methylpyrrole-2-carbonyl chloride using SERS and DFT investigations

R Premkumar, S Hussain, ND Jayram… - Journal of Molecular …, 2022 - Elsevier
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 …

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 …

Surface-enhanced Raman scattering and quantum chemical studies of 2-trifluoroacetylpyrrole chemisorbed on colloidal silver and gold nanoparticles: A comparative …

R Premkumar, S Hussain, T Mathavan, K Anitha… - Journal of Molecular …, 2019 - Elsevier
Surface-enhanced Raman scattering (SERS) studies of 2-trifluoroacetylpyrrole (TFAP)
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 …

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 …