Structural elucidation, spectroscopic investigation, in silico docking, and in vitro cytotoxicity studies of chromone derivatives as potential anti-breast cancer agents

G Kirishnamaline, JD Magdaline… - Journal of Molecular …, 2023 - Elsevier
Breast cancer is the most prevalent deadly disease affecting women globally. Discovering
novel anti-breast cancer agents with better therapeutic action is more crucial in combating …

Study of molecular structure, chemical reactivity and first hyperpolarizability of a newly synthesized N-(4-oxo-2-phenylquinazolin-3 (4H)-yl)-1H-indole-2-carboxamide …

AP Chaudhary, SK Bharti, S Kumar, K Ved… - Journal of Molecular …, 2017 - Elsevier
A series of novel Quinazolinone derivatives were synthesized and characterized by various
spectroscopic techniques. The nature of reactants and products of chemical reactions has …

3-Substituted-7-(diethylamino) coumarins as molecular scaffolds for the bottom-up self-assembly of solids with extensive π-stacking

R Arcos-Ramos, M Maldonado-Domínguez… - Journal of Molecular …, 2017 - Elsevier
In this study, a set of molecular crystals derived from 3-substituted-7-(diethylamino)-2 H-
chromen-2-ones 1–8 were studied to sample the aggregation of coumarins into ordered …

A combined study based on experimental analyses and theoretical calculations on properties of poly (lactic acid) under annealing treatment

W Loued, J Wéry, A Dorlando, K Alimi - Journal of Molecular Structure, 2015 - Elsevier
In this paper, the significance of annealing, in two different atmospheres (air and vacuum),
on the surface characteristics of poly (lactic acid)(PLA) films was investigated. X-ray …

Synthesis, Spectroscopic & DFT studies of Novel N-((1H-benzo [d] imidazol-1-yl) methyl)-N-(2-(trifluoromethyl) phenyl)-4, 5-dihydrothiazol-2-amine

A Bishnoi, N Afza, P Devi, A Verma… - Indian Journal of Pure …, 2021 - op.niscpr.res.in
Abstract Synthesis of N-((1H-benzo [d] imidazol-1-yl) methyl)-N-(2-(trifluoromethyl) phenyl)-
4, 5-dihydrothiazol-2-amine was done followed by its characterization by various spectral …

Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1, 2, 3-triazolyl) coumarins

JE De la Cerda-Pedro, R Arcos-Ramos… - …, 2016 - pubs.rsc.org
Crystalline 3-(4-aryl-1, 2, 3-triazol-1-yl) coumarins (ATCs) were prepared from commercial
materials using a four-component methodology as a key step. In the present work, a feasible …

Synthesis, spectroscopic and DFT studies of novel 4-(morpholinomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid

P Devi, S Fatma, A Bishnoi, K Srivastava… - Journal of Molecular …, 2018 - Elsevier
Abstract A novel 4-(morpholinomethyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid has
been synthesized and its structural elucidation has been done by UV, FT-IR, 1 H and 13 C …

Kinetic, Spectroscopic, and DFT Studies of Novel Oxidation of Acetylsalicylic Acid by NaIO4 Using Micro-amount of Os(VIII) As a Homogeneous Catalyst in Alkaline …

A Srivastava, M Gupta, S Srivastava - Russian Journal of Physical …, 2019 - Springer
Kinetics of Os (VIII) catalyzed oxidation of acetylsalicylic acid by NaIO 4 in alkaline medium
have been explored and p-benzoquinone is identified as product with structural elucidation …

Synthesis and Anticancer Activity of 7, 8-dihydroxy-4-arylcoumarins

J Wu, T Peng, F Chen, Y Leng, L Tong… - Letters in Drug …, 2015 - ingentaconnect.com
A series of 7, 8-dihydroxy-4-arylcoumarins, the derivatives related to DW532 that was an anti-
tumor agent targeting both kinase and tubulin, was prepared by Suzuki coupling reaction …

Natural bond orbital (NBO) population analysis and non-linear optical (NLO) properties of 2-(azepan-1-yl (naphthalen-1-yl) methyl) phenol

Y Ulaş - International Journal of Chemistry and Technology, 2020 - dergipark.org.tr
All electronic properties of 2-(Azepan-1-yl (naphthalen-1-yl) methyl) phenol compound were
investigated using the density functional theory (DFT) B3LYP method and 6-311 G (d, p) set …