Solid Acid-Catalyzed Green Synthesis of Bis-Schiff Bases: Spectroscopic, DFT, Molecular Docking, and ADMET Studies DOI

N. Dinesh kumar,

G. Thirunarayanan,

R. Elancheran

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер 1322, С. 140603 - 140603

Опубликована: Ноя. 5, 2024

Язык: Английский

Drug design, Green Synthesis, In-vitro Antibacterial and Antifungal Activities, Computational Investigation, and Molecular Docking Studies of Novel Spiro-Indoline-Pyrano-Pyrimidine and Pyrazolo Derivatives. DOI

Faiza Boukezzoula,

Oussama Khaoua,

Nora Chouha

и другие.

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141684 - 141684

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

2
Synthesis, Crystal Structure, and DFT Studies of NHC Mediated Pd-PEPPSI Complex: Application for Suzuki Reaction DOI
Öznur Doğan Ulu, Sümeyya Seri̇n, Namık Özdemir

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер 1320, С. 139479 - 139479

Опубликована: Июль 29, 2024

Язык: Английский

Процитировано

3
An improved approach to the synthesis of tetrahydroindeno[1,2-d] imidazoles: DFT (FT-IR, NMR, NBO, FMO), ADMET, and drug-likeness studies DOI
Goncagül Serdaroğlu, Nesimi Uludağ, Sümeyya Seri̇n

и другие.

Journal of Molecular Liquids, Год журнала: 2025, Номер unknown, С. 126989 - 126989

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0
Multifunctional linear polyphosphazene with reactive side groups: achieving fire resistance and low dielectric bismaleimide DOI
Yifan Zhou, Chenlei Wang, Shuilai Qiu

и другие.

Composites Part B Engineering, Год журнала: 2025, Номер unknown, С. 112254 - 112254

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

0
Functionalized p-cymene and pyrazine derivatives: Physicochemical, ADMT, Drug-likeness, and DFT studies DOI
Goncagül Serdaroğlu

Computational Biology and Chemistry, Год журнала: 2025, Номер unknown, С. 108434 - 108434

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

0
Synthesis and characterization of yttrium iron oxide/PPy nanocomposites for supercapacitor application by chemical oxidative polymerization method DOI

M. Vinitha,

G. Velraj

Polymer-Plastics Technology and Materials, Год журнала: 2024, Номер 63(12), С. 1714 - 1721

Опубликована: Май 27, 2024

Polypyrrole (PPy)/Yttrium Iron oxide (YIG) nanocomposite was synthesized by the chemical oxidation polymerization method. Yttrium iron is also known as yttrium or garnet denoted YIG (Y3Fe5O12). a familiar material among rare earth garnets and commonly used in electronic devices. Fourier transform infrared (FT-IR) spectroscopy analysis reveals strong interaction between PPy nanoparticles. The crystal structure for nanocomposites observed X-ray Diffraction (XRD) average crystalline size calculated Scherrer's formula PPy/n-YIG 27.47 nm. Surface morphology of samples identified scanning electron microscopy. Optical properties were studied UV–Vis spectroscopy. From 2-probe method, AC electrical conductivity n-YIGPPy found to be 1.05 × 10−5 S/cm, higher than that polypyrrole. electrochemical performance YIG/PPy cyclic voltammetry (CV). combination optical, suits supercapacitor applications.

Язык: Английский

Процитировано

3
Quantum computational and experimental spectroscopic investigation (FT-IR, Raman, UV–Vis), PES, LHE and topological investigations of 7-[(2R)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione DOI

S. Gayathri,

M. Saravanakumar,

P. Manikandan

и другие.

Journal of Photochemistry and Photobiology A Chemistry, Год журнала: 2024, Номер 459, С. 116067 - 116067

Опубликована: Окт. 9, 2024

Язык: Английский

Процитировано

2
Solid Acid-Catalyzed Green Synthesis of Bis-Schiff Bases: Spectroscopic, DFT, Molecular Docking, and ADMET Studies DOI

N. Dinesh kumar,

G. Thirunarayanan,

R. Elancheran

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер 1322, С. 140603 - 140603

Опубликована: Ноя. 5, 2024

Язык: Английский

Процитировано

1