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An overview of conceptual-DFT based insights into global chemical reactivity of volatile sulfur compounds (VSCs)
M Bhatia - Computational Toxicology, 2024 - Elsevier
Volatile sulfur compounds (VSCs) are highly volatile and most frequently associated with
oral malodor. The odor quality is associated with the size and shape of the molecule along …
oral malodor. The odor quality is associated with the size and shape of the molecule along …
Hydrodeoxygenation of lignin-derived phenols into cycloalkanes by atomically dispersed Pt-polyoxometalate catalysts
We report atomically dispersed Pt sites anchored on polyoxometalate cesium salts as robust
and durable catalysts for upgrading lignin into hydrocarbons at relatively mild conditions …
and durable catalysts for upgrading lignin into hydrocarbons at relatively mild conditions …
[HTML][HTML] Rapid and highly efficient removal of aqueous perfluorooctanoic acid using deep eutectic solvents for sustainable water remediation: An integrated …
This work reports on the first use of deep eutectic solvents (DESs) as an environmentally
sustainable solution for the extractive removal of perfluorooctanoic acid (PFOA), one of the …
sustainable solution for the extractive removal of perfluorooctanoic acid (PFOA), one of the …
[HTML][HTML] An electrodeposition of Cu-MOF on platinum electrode for efficient electrochemical degradation of tartrazine dye with parameter control and degradation …
Electrochemical oxidation is a low-toxicity, fast-reacting technology that is easy to employ.
This technology has great promise for improving the sustainability and efficiency of …
This technology has great promise for improving the sustainability and efficiency of …
[HTML][HTML] Molecular modeling, DFT studies and biological evaluation of methyl 2, 8-dichloro-1, 2-dihydroquinoline-3-carboxylate
The need for Novel antimicrobial drugs aim at combating the essential elements of bacterial
metabolism including cell walls, DNA gyrase, DNA-directed RNA polymerase, protein …
metabolism including cell walls, DNA gyrase, DNA-directed RNA polymerase, protein …
Efficient electrochemical degradation of congo red dye by Pt/CuNPs electrode with its attractive performance, energy consumption, and mechanism: Experimental and …
Clean and sustainable sources of drinkable water require continuous wastewater treatment.
In this study, a thin film of copper nanoparticles (CuNPs) was simply electrodeposited using …
In this study, a thin film of copper nanoparticles (CuNPs) was simply electrodeposited using …
Experimental and theoretical studies on a simple S–S-bridged dimeric schiff base: selective chromo-fluorogenic chemosensor for nanomolar detection of Fe2+ & Al3+ …
C Immanuel David, N Bhuvanesh, H Jayaraj… - ACS …, 2020 - ACS Publications
A simple S–S (disulfide)-bridged dimeric Schiff base probe, L, has been designed,
synthesized, and successfully characterized for the specific recognition of Al3+ and Fe2+ …
synthesized, and successfully characterized for the specific recognition of Al3+ and Fe2+ …
In vitro antifungal activity, cytotoxicity and binding analysis of imidazolium based ionic liquids with fluconazole: DFT and spectroscopic study
Fungal infections represent a significant challenge in various living organisms, including
humans, animals, and plants. Fungi are versatile organisms capable of thriving in diverse …
humans, animals, and plants. Fungi are versatile organisms capable of thriving in diverse …
Biosensor for the early diagnosis of lung cancer: A DFT study on the applicability of metal-doped graphene structures
The usability of metal-doped graphene structures as biosensor was investigated to develop
a preliminary diagnosis of lung cancer in this study. The adsorption and sensing properties …
a preliminary diagnosis of lung cancer in this study. The adsorption and sensing properties …
Third-order optical nonlinearities of 1, 5-Diaminoanthraquinone for optical limiting application
MC Sreenath, IH Joe, VK Rastogi - Optics & Laser Technology, 2018 - Elsevier
Third-order nonlinear optical properties of 1, 5-Diaminoanthraquinone have been studied.
The vibrational and optical properties of the compound were analysed experimentally by FT …
The vibrational and optical properties of the compound were analysed experimentally by FT …