Experimental and detailed DFT/MD simulation of α-aminophosphonates as promising corrosion inhibitor for XC48 carbon steel in HCl environment

Journal of the Taiwan Institute of Chemical Engineers, Год журнала: 2023, Номер 147, С. 104918 - 104918

Опубликована: Май 15, 2023

Язык: Английский

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The curious case of polyphenols as green corrosion inhibitors: a review on their extraction, design, and applications

Environmental Science and Pollution Research, Год журнала: 2023, Номер 30(21), С. 59081 - 59105

Опубликована: Апрель 5, 2023

Язык: Английский

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Machine learning approach to map the thermal conductivity of over 2,000 neoteric solvents for green energy storage applications

Energy storage materials, Год журнала: 2023, Номер 59, С. 102795 - 102795

Опубликована: Апрель 30, 2023

Язык: Английский

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Unveiling the potent corrosion-inhibiting power of Ammophila arenaria aqueous extract for mild steel in acidic environments: An integrated experimental and computational study

Journal of environmental chemical engineering, Год журнала: 2024, Номер 12(2), С. 112374 - 112374

Опубликована: Март 2, 2024

Язык: Английский

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Application of statistical physical, DFT computation and molecular dynamics simulation for enhanced removal of crystal violet and basic fuchsin dyes utilizing biosorbent derived from residual watermelon seeds (Citrullus lanatus)

Process Safety and Environmental Protection, Год журнала: 2024, Номер 186, С. 995 - 1010

Опубликована: Март 29, 2024

Язык: Английский

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Comprehensive Investigation of Cu2+ Adsorption from Wastewater Using Olive-Waste-Derived Adsorbents: Experimental and Molecular Insights

International Journal of Molecular Sciences, Год журнала: 2024, Номер 25(2), С. 1028 - 1028

Опубликована: Янв. 14, 2024

This study investigates the efficacy of adsorbents from locally sourced olive waste—encompassing skins, leaves, and pits, recovered initial centrifugation olives (OWP)—and a composite with sodium alginate (OWPSA) for removal Cu2+ ions synthetic wastewater. Experimental analyses conducted at room temperature, an concentration 50 mg/L solid/liquid ratio 1 g/L, showed that efficiencies were approximately 79.54% 94.54% OWP OWPSA, respectively, highlighting positive impact on adsorption capacity. Utilizing statistical physics isotherm models, particularly single-layer model coupled to real gas (SLMRG), allowed us robustly fit experimental data, providing insights into mechanisms. Thermodynamic parameters affirmed spontaneity endothermic nature processes. Adsorption kinetics interpreted effectively using pseudo-second-order (PSO) model. Molecular modeling investigations, including conductor-like screening solvents (COSMO-RS), density functional theory (DFT), atom-in-molecule (AIM) analysis, unveiled intricate molecular interactions among adsorbent components—cellulose, hemicellulose, lignin, alginate—and pollutant Cu2+, confirming their physically interactive nature. These findings emphasize synergistic application theoretical approaches, comprehensive understanding copper dynamics level. methodology holds promise unraveling processes across various materials in wastewater treatment applications.

Язык: Английский

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Efficient wastewater decontamination using magnetic bentonite-alginate beads: A comprehensive study of adsorption dynamics, regeneration, and molecular interactions

Journal of environmental chemical engineering, Год журнала: 2024, Номер 12(3), С. 113000 - 113000

Опубликована: Май 9, 2024

Язык: Английский

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Antibacterial and antifungal activities of natural deep eutectic solvents

Applied Microbiology and Biotechnology, Год журнала: 2024, Номер 108(1)

Опубликована: Фев. 7, 2024

Abstract The increasing antibiotic resistance towards a panel of microorganisms is one the public health concerns. For this reason, search for alternatives to widely used has been undertaken. In era sustainable chemistry, deep eutectic solvents (DESs) have emerged as promising antimicrobial agents. These possess several advantages such low volatility, flammability, ease preparation, and typically cost production. properties make DES suitable various applications, including extraction biomolecules preparation cosmetics. Natural DESs (NADESs) are special category prepared from natural sources, which matched recent trends leaning back nature, decreasing dependence on synthetic precursors. NADES can be by heating stirring, freeze-drying, evaporation, grinding, ultrasound-assisted microwave-assisted synthesis. Utilizing NADESs an alternative traditional antibiotics, become ineffective over time due bacterial resistance, holds great promise these reasons. This review aims discuss multiple NADESs, antibacterial antifungal activities. To best our knowledge, first literature survey activities NADESs. Key points • antibiotics high potential their activity against also substantial

Язык: Английский

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Development and evaluation of a pH-responsive Mimosa pudica seed mucilage/β- cyclodextrin-co-poly(methacrylate) hydrogel for controlled drug delivery: In vitro and in vivo assessment

International Journal of Biological Macromolecules, Год журнала: 2024, Номер 268, С. 131832 - 131832

Опубликована: Апрель 23, 2024

Язык: Английский

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3,4-Dimethoxy phenyl thiosemicarbazone as an effective corrosion inhibitor of copper under acidic solution: comprehensive experimental, characterization and theoretical investigations

RSC Advances, Год журнала: 2024, Номер 14(18), С. 12533 - 12555

Опубликована: Янв. 1, 2024

This study investigates the corrosion inhibition potential of 3,4-dimethoxy phenyl thiosemicarbazone (DMPTS) for copper in 1 M hydrochloric acid (HCl) solutions, aiming to disclose mechanism behind its protective action.

Язык: Английский

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