Photosensitization of TiO2 microspheres by novel Quinazoline-derivative as visible-light-harvesting antenna for enhanced Rhodamine B photodegradation
Water pollution is one of the global threats severely affecting our planet and human health.
Organic textile dyes are one of the common organic water pollutants that are presentient to …
Organic textile dyes are one of the common organic water pollutants that are presentient to …
Future of computational molecular spectroscopy—from supporting interpretation to leading the innovation
F Wang - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Molecular spectroscopy measures transitions between discrete molecular energies which
follow quantum mechanics. Structural information of a molecule is encoded in the spectra …
follow quantum mechanics. Structural information of a molecule is encoded in the spectra …
One-pot synthesis, computational chemical study, molecular docking, biological study, and in silico prediction ADME/pharmacokinetics properties of 5-substituted 1H …
A El-Sewedy, EA El-Bordany, NFH Mahmoud, KA Ali… - Scientific Reports, 2023 - nature.com
An efficient synthesis of 5-substituted 1 H-tetrazoles was successfully achieved through one-
pot multi-component condensation reactions of some aromatic aldehydes or indolin-2, 3 …
pot multi-component condensation reactions of some aromatic aldehydes or indolin-2, 3 …
Study on the mechanisms of the lubricating oil antioxidants: Experimental and molecular simulation
C Hu, G You, J Liu, S Du, X Zhao, S Wu - Journal of Molecular Liquids, 2021 - Elsevier
The oxidation of lubricating oils seriously affects the operation of machinery, the O 2 in the
air has a strong impact during the oxidation process. Here, in ester-based lubricating oil, ie …
air has a strong impact during the oxidation process. Here, in ester-based lubricating oil, ie …
A new approach to chromeno [4, 3-b] pyridine: Synthesis, X-ray, spectral investigations, hirshfeld surface analysis, and computational studies
MA Shalaby, HM Al-Matar, AM Fahim… - Journal of Physics and …, 2022 - Elsevier
The structural motif of chromeno [4, 3-b] pyridine can be found in a wide variety of
pharmaceuticals and bioactive compounds. In this study, we have synthesized 2-(4, 5-di-p …
pharmaceuticals and bioactive compounds. In this study, we have synthesized 2-(4, 5-di-p …
Shear-driven reactions of organosulfur compounds on ferrous surfaces: A molecular dynamics study
Reactive molecular dynamics simulations were used to investigate reactions between di-tert-
butyl disulfide and ferrous surfaces. Tribochemical reactions were characterized with and …
butyl disulfide and ferrous surfaces. Tribochemical reactions were characterized with and …
Synthesis, characterization, computational chemical studies and antiproliferative activity of some heterocyclic systems derived from 3-(3-(1,3-diphenyl-1H-pyrazol-4-yl)acryloyl)-2 …
Abstract The key material, 3-(3-(1, 3-diphenyl-1 H-pyrazol-4-yl) acryloyl)-2 H-chromen-2-one
(3) was synthesized and its behavior toward malononitrile, hydrazine, thiourea …
(3) was synthesized and its behavior toward malononitrile, hydrazine, thiourea …
Ultrasonic promoted regioselective reactions of the novel spiro 3, 1-benzoxazon-isobenzofuranone dye toward some organic base reagents
AI Hassaballah, SK Ramadan, SA Rizk… - Polycyclic Aromatic …, 2023 - Taylor & Francis
Ultrasonic and solvent-free condensation of 2-aminobenzoic acid with 4-
bromoisobenzofuran-1, 3-dione to construct the 4′-bromo-3′ H-spiro [benzo [d][1, 3] …
bromoisobenzofuran-1, 3-dione to construct the 4′-bromo-3′ H-spiro [benzo [d][1, 3] …
Impact of Polythiophene ((C4H4S)n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene …
This study addresses the formidable persistence of tetracycline (TC) in the environment and
its adverse impact on soil, water, and microbial ecosystems. To combat this issue, an …
its adverse impact on soil, water, and microbial ecosystems. To combat this issue, an …
Synthesis, DFT and Antitumor Activity Screening of Some New Heterocycles Derived from 2,2'-(2-(1,3-Diphenyl-1H-Pyrazol-4-yl)Ethene-1,1-Diyl)Bis(4H-Benzo[d][1 …
The broad spectrum of biological activity of pyrazole derivatives coupled with our interest in
the chemistry of nitrogen heterocycles led us to synthesize a bis-benzoxazinone derivative …
the chemistry of nitrogen heterocycles led us to synthesize a bis-benzoxazinone derivative …