Dielectric continuum methods for quantum chemistry

JM Herbert - Wiley Interdisciplinary Reviews: Computational …, 2021 - Wiley Online Library
This review describes the theory and implementation of implicit solvation models based on
continuum electrostatics. Within quantum chemistry this formalism is sometimes …

How do molecular interactions affect fluorescence behavior of AIEgens in solution and aggregate states?

Y Yu, H Xing, Z Zhou, J Liu, HHY Sung… - Science China …, 2022 - Springer
Molecular interactions are crucial in diverse fields of protein folding, material science,
nanotechnology, and life origins. Although mounting experimental research controls …

Substituent and solvent effects on UV‐visible absorption spectra of chalcones derivatives: Experimental and computational studies

HS Abbo, CH Lai, SJJ Titinchi - Spectrochimica Acta Part A: Molecular and …, 2023 - Elsevier
The electronic spectra of the title compounds were measured in ethanol and cyclohexane.
Three band systems are distinguished in the spectra of which the first and second band …

Design, synthesis, characterization, and anticancer activity of a novel series of O-substituted chalcone derivatives

B Ngameni, K Cedric, AT Mbaveng, M Erdoğan… - Bioorganic & Medicinal …, 2021 - Elsevier
A new series of O-substituted chalcone derivatives bearing an/a allyl-, prenyl-or propargyl-
substituent at different positions of rings A and B and their derivatives as drug leads, was …

Solvatochromism and estimation of ground and excited state dipole moments of 6-aminoquinoline

N Pandey, N Tewari, S Pant, MS Mehata - Spectrochimica Acta Part A …, 2022 - Elsevier
The spectral behaviour of 6AQ was investigated using fluorescence spectroscopy in several
polar and non-polar solvents. Both the absorption and fluorescence spectra displayed …

Potentiation of antibiotic activity by chalcone (E)-1-(4′-aminophenyl)-3-(furan-2-yl)-prop-2-en-1-one against gram-positive and gram-negative MDR strains

CAN Ferraz, SR Tintino, AMR Teixeira… - Microbial …, 2020 - Elsevier
Chalcones are α, β-unsaturated ketones containing the 1, 3-diarylprop-2-en-1-one
framework. This study aims to evaluate the potentiation of antibacterial activity by the …

Electrochemical synthesis of donor-acceptor triazine based polymers with halochromic and electrochromic properties

M Renfige, EJG Lopez, L Macor, C Solis, JE Durantini… - Electrochimica …, 2024 - Elsevier
Two triazine monomers substituted with aromatic α, β unsaturated ketones (chalcones) as
connecting arms, holding triphenylamine or carbazole ending groups, were by the first time …

A new multifunctional benzimidazole tagged coumarin as ratiometric fluorophore for the detection of Cd2+/F− ions and imaging in live cells

K Krishnaveni, M Iniya, D Jeyanthi, A Siva… - … Acta Part A: Molecular …, 2018 - Elsevier
A novel multifunctional ratiometric fluorescent probe has been designed and synthesized for
the selective recognition of Cd 2+/F− ions. The probe (3)-((2)-(1H-benzoimidazole-2-yl) …

[HTML][HTML] Synthesis, photophysical, voltammetric, and DFT studies of 4-aminochalones

H Baig, R Irfan, A Rasool, SZ Hussain… - … of Photochemistry and …, 2023 - Elsevier
Aminochalcones, with a DAD architecture, were synthesized using Claisen-Schmidt
condensation. The compounds were characterized by FTIR, melting point, HRMS, 1 H, and …

Effect of extended π-conjugation on photophysical characteristics of chalcone and cinnamylideneacetophenone

VH Le, VTK Lien, QT Tran, PT Thuy, CV Ha… - Materials Science in …, 2023 - Elsevier
The photophysical and spectral characteristics of two unsaturated carbonyl compounds, a
chalcone and a cinnamylideneacetophenone, were systematically analyzed using various …