Synthesis, spectroscopic analyses (FT-IR and NMR), vibrational study, chemical reactivity and molecular docking study and anti-tubercular activity of condensed …

AS El-Azab, YS Mary, AAM Abdel-Aziz… - Journal of Molecular …, 2018 - Elsevier
The Fourier transform infrared spectra of the compounds 2-(5-phenyl-1, 3, 4-oxadiazol-2-yl)
pyrazine (PHOXPY), 2-(5-styryl-1, 3, 4-oxadiazol-2-yl) pyrazine (STOXPY) and 2-(5-(furan-2 …

Five Unprecedented Secondary Metabolites from the Spider Parasitic Fungus Akanthomyces novoguineensis

SE Helaly, W Kuephadungphan, S Phongpaichit… - Molecules, 2017 - mdpi.com
Five new compounds including the glycosylated β-naphthol (1, akanthol), a glycosylated
pyrazine (2, akanthozine), and three amide derivatives including a hydroxamic acid …

Theoretical insights into the effect of halogenated substituent on the electronic structure and spectroscopic properties of the favipiravir tautomeric forms and its …

LC Assis, AA de Castro, JPA de Jesus, EFF da Cunha… - Rsc Advances, 2021 - pubs.rsc.org
In this study, we systematically investigated the electronic structure, spectroscopic (nuclear
magnetic resonance, infrared, Raman, electron ionization mass spectrometry, UV-Vis …

New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches

PK Ranjith, YS Mary, CY Panicker, PL Anto… - Journal of Molecular …, 2017 - Elsevier
The spectral characterization of ethyl-4-hydroxy-2-oxo-1, 2-dihydroquinoline-3-carboxylate
(EHODQ3C) was performed by FT-IR and FT-Raman spectroscopic techniques and density …

Pyrazinederived 1, 2, 3-triazole linked silanes and their magnetic nanoparticles for the colorimetric and fluorimetric dual sensing of Cu2+ ions

G Singh, J Kaur, A Saini, A Devi - Journal of Molecular Structure, 2022 - Elsevier
Abstract In this article, pyrazinebased 1, 2, 3-triazole linked organosilanes have been
synthesized and characterized with techniques like 1 H, 13 C NMR spectroscopy and mass …

Synthesis, molecular docking, DFT calculations and cytotoxicity activity of benzo [g] quinazoline derivatives in choline chloride-urea

S Lakshmanan, D Govindaraj, N Ramalakshmi… - Journal of Molecular …, 2017 - Elsevier
Green and highly efficient one-pot three component approach for the synthesis of benzo [g]
quinazoline derivatives (6a–g) using Choline chloride-urea (DES). Synthesized compounds …

Design, synthesis and anti-inflammatory activity of pyrimidine scaffold benzamide derivatives as epidermal growth factor receptor tyrosine kinase inhibitors

K Thirumurugan, S Lakshmanan, D Govindaraj… - Journal of Molecular …, 2018 - Elsevier
Novel serious of pyrimidine scaffold benzamide derivatives (9 ak) were synthesized and
characterized by IR, HRMS, and NMR. Docking study of compounds 9 g, 9 h exhibited H …

Spectroscopic investigations, DFT calculations, molecular docking and MD simulations of 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline …

PK Ranjith, A Ignatious, CY Panicker… - Journal of Molecular …, 2022 - Elsevier
In this article, the synthesis, experimental vibrational spectroscopic analysis (FT-IR and FT-
Raman) and theoretical calculations of Quiniline derivative 3-[(4-Carboxyphenyl) carbamoyl] …

The effect of non-ionic surfactants on the removal of cerium oxide particles in STI CMP post cleaning

X Zhao, M Yan, FY Wang, X Han, B Tan, J Zhao… - Materials Science in …, 2024 - Elsevier
Ceria abrasives are widely used in shallow trench isolation (STI) chemical mechanical
polishing (CMP) processes due to their ability to form Ce–O–Si bonds with SiO 2. However …

Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivative

VV Menon, YS Mary, YS Mary, CY Panicker… - Journal of Molecular …, 2018 - Elsevier
Abstract A novel thiourea derivative, 1-(3-bromophenyl)-3-[3-(trifluoromethyl) phenyl]
thiourea (ANF-22) is synthesized and characterized by FTIR, FT-Raman and NMR …