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 …
Tailoring the design, structure and spectroscopic characteristics of SiC/CuO doped transparent polymer for photonics and quantum nanoelectronics fields
NAH Al-Aaraji, A Hashim, HM Abduljalil… - Optical and Quantum …, 2023 - Springer
In present work, the nanostructures of silicon carbide (SiC) and copper oxide (CuO) doped
transparent polymer (PVA) were designed to employ in various nanosemiconductors and …
transparent polymer (PVA) were designed to employ in various nanosemiconductors and …
Synthesis of new set of imidazo [1, 2-a] pyridine-schiff bases derivatives as potential antimicrobial agents: Experimental and theoretical approaches
Multidrug resistance in microbial infections necessitates the discovery of new drugs with
enhanced efficacy. In this context, a novel series of imidazopyridine Schiff bases derivatives …
enhanced efficacy. In this context, a novel series of imidazopyridine Schiff bases derivatives …
Solid-state synthesis, electronic structure studies, solvent interaction through hydrogen bonding, and molecular docking studies of 2, 2'-((1, 2-phenylenebis …
N Elangovan, TS Ganesan, B Rajeswari… - Polycyclic Aromatic …, 2024 - Taylor & Francis
The compound was synthesized and characterized with Infrared, UV, and NMR studies. The
present work is theoretically investigated using B3LYP/cc-pVDZ basis set. The LED has …
present work is theoretically investigated using B3LYP/cc-pVDZ basis set. The LED has …
Investigation of the Anti-Plasmodial Properties of N-2-Oxo Pyrrolidine Pentanamide-Based Sulfonamides: Experimental and Theoretical Approach
The study aimed to investigate novel pyrrolidine-pentanamide derivatives of sulfonamides
as potential anti-malaria agents through a comprehensive approach involving experimental …
as potential anti-malaria agents through a comprehensive approach involving experimental …
Investigation of the interaction of thymine drugs with Be12O12 and Ca12O12 nanocages: A quantum chemical study
Based on the DFT in a Wb97xd/6-311+ G* level of theory, the interaction of thymine
derivatives with Be 12 O 12 and Ca 12 O 12 nanocages was investigated. It was found that …
derivatives with Be 12 O 12 and Ca 12 O 12 nanocages was investigated. It was found that …
[HTML][HTML] Solvation effects, structural, vibrational analysis, chemical reactivity, nanocages, ELF, LOL, docking and MD simulation on Sitagliptin
Sitagliptin is a medication used to manage type-2 diabetes. The present study investigates
the experimental and theoretical results of Sitagliptin (SG). Density functional theory (DFT) …
the experimental and theoretical results of Sitagliptin (SG). Density functional theory (DFT) …
DFT, molecular docking, molecular dynamics simulation, and hirshfeld surface analysis of 2-phenylthioaniline
Abstract Utilizing NMR (1H-NMR and 13C-NMR), FT-IR, UV-Visible, and quantum chemical
approaches by using the DFT technique, experiments on 2-phenylthioanline were carried …
approaches by using the DFT technique, experiments on 2-phenylthioanline were carried …
Green synthesis, characterization, anti-cancer and antimicrobial activity of AuNPs extracted from Euphorbia antiquorum stem and flower: Experimental and theoretical …
G Venkatesh, G Serdaroğlu, E Üstün… - Journal of Drug Delivery …, 2024 - Elsevier
Green nanoparticles derived from medicinal plants have attained popularity in recent years.
Gold nanoparticles, with their distinct biological properties, are being investigated. Several …
Gold nanoparticles, with their distinct biological properties, are being investigated. Several …
Synthesis, Solvent effects, Chemical reactivity, Molecular Docking and Molecular Dynamic Studies of Triazole derivative
In the present study,(E)-3-(2-(4-amino-5-mercapto-4H-1, 2, 4-triazol-3-yl) hydrazono) methyl)-
2-bromo-6-methoxyphenol (AMTMP) is synthesized and characterized utilizing FT-IR, FT …
2-bromo-6-methoxyphenol (AMTMP) is synthesized and characterized utilizing FT-IR, FT …