Predicting the CO2 Capture Capability of Deep Eutectic Solvents and Screening over 1000 of their Combinations Using Machine Learning
Deep eutectic solvents (DESs) are a new class of environmentally friendly solvents that have
attracted the attention of many researchers. Since DESs have several practical applications …
attracted the attention of many researchers. Since DESs have several practical applications …
Molecular-based guide to predict the pH of eutectic solvents: promoting an efficient design approach for new green solvents
T Lemaoui, F Abu Hatab, AS Darwish… - ACS Sustainable …, 2021 - ACS Publications
The case of sustainable solvents is of great interest both academically and industrially. With
research communities becoming more aware of the negative impacts of conventional …
research communities becoming more aware of the negative impacts of conventional …
[HTML][HTML] Revolutionizing inverse design of ionic liquids through the multi-property prediction of over 300,000 novel variants using ensemble deep learning
In the flourishing field of materials science and engineering, ionic liquids (ILs) stand out for
their advantageous features, unique tunable properties, and environmentally friendly …
their advantageous features, unique tunable properties, and environmentally friendly …
Effective removal of cationic dye on activated carbon made from cactus fruit peels: a combined experimental and theoretical study
This article investigates experimentally and theoretically the adsorption of Basic Red 46
cationic dye (BR46) using activated carbon generated from cactus fruit peels (ACCFP). The …
cationic dye (BR46) using activated carbon generated from cactus fruit peels (ACCFP). The …
Multicomponent extraction of aromatics and heteroaromatics from diesel using acidic eutectic solvents: Experimental and COSMO-RS predictions
AS Darwish, FA Hatab, T Lemaoui, OAZ Ibrahim… - Journal of Molecular …, 2021 - Elsevier
Eutectic solvents (ESs) have been extensively studied in the literature for the purification of
fuels. Nevertheless, most studies investigated the extraction of a single type of aromatic from …
fuels. Nevertheless, most studies investigated the extraction of a single type of aromatic from …
Molecular-based artificial neural networks for selecting deep eutectic solvents for the removal of contaminants from aqueous media
Computational methods for predicting a solvent's performance in a given application, and for
selecting an adequate solvent for that application, are becoming increasingly essential for …
selecting an adequate solvent for that application, are becoming increasingly essential for …
In silico drug discovery of Acetylcholinesterase and Butyrylcholinesterase enzymes inhibitors based on Quantitative Structure-Activity Relationship (QSAR) and drug …
In the last years, in order to achieve a better treatment of Alzheimer's disease (AD), much
focus has been put on the development of cholinesterase (Acetylcholinesterase and …
focus has been put on the development of cholinesterase (Acetylcholinesterase and …
Computational modeling of polydecanediol-co-citrate using benzalkonium chloride-based hydrophobic eutectic solvents: COSMO-RS, reactivity, and compatibility …
Eutectic solvents (ESs) have been extensively explored in polymer chemistry. Nevertheless,
studies utilizing ESs as a constituent of biodegradable poly (diol-co-citrate)(PDCA) …
studies utilizing ESs as a constituent of biodegradable poly (diol-co-citrate)(PDCA) …
[HTML][HTML] Synthesis, spectroscopic, DFT calculations, biological activity, SAR, and molecular docking studies of novel bioactive pyridine derivatives
KE Anwer, ZK Hamza, RM Ramadan - Scientific Reports, 2023 - nature.com
Enaminonitrile pyridine derivative was used as a precursor for preparation of fourteen
heterocyclic compounds using both conventional thermal and microwave techniques …
heterocyclic compounds using both conventional thermal and microwave techniques …
Effect of the main constituents of Pistacia lentiscus leaves against the DPPH radical and xanthine oxidase: experimental and theoretical study
The aim of this work is to study the content of phenolic compounds in P lentiscus leaves and
their antioxidant effect. After extracting the phenolic compounds, fractionation by liquid/liquid …
their antioxidant effect. After extracting the phenolic compounds, fractionation by liquid/liquid …