Bioresource Technology, Journal Year: 2023, Volume and Issue: 371, P. 128590 - 128590
Published: Jan. 7, 2023
Language: Английский
Bioresource Technology, Journal Year: 2023, Volume and Issue: 371, P. 128590 - 128590
Published: Jan. 7, 2023
Language: Английский
Journal of Cleaner Production, Journal Year: 2023, Volume and Issue: 405, P. 137023 - 137023
Published: March 31, 2023
Language: Английский
Citations
100Journal of Water Process Engineering, Journal Year: 2023, Volume and Issue: 55, P. 104150 - 104150
Published: Aug. 24, 2023
Language: Английский
Citations
88Separation and Purification Technology, Journal Year: 2023, Volume and Issue: 318, P. 123970 - 123970
Published: May 3, 2023
Language: Английский
Citations
51Journal of Hazardous Materials, Journal Year: 2024, Volume and Issue: 467, P. 133734 - 133734
Published: Feb. 6, 2024
Language: Английский
Citations
16Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 410, P. 125513 - 125513
Published: July 14, 2024
The contamination of natural water resources by pharmaceutical pollutants has become a significant environmental concern. Traditional experimental approaches for understanding the adsorption behavior these contaminants on different surfaces are often time-consuming and resource-intensive. In response, this review article explores powerful combination in silico techniques, including molecular dynamics (MD), Monte Carlo simulations (MC), quantum mechanics (QM), as comprehensive toolset to obtain broad perspectives into pollutants. By bridging multiple scales, from molecular-level interactions macroscopic impact, computational methods offer holistic processes involved. We provide an overview their ecological effects, emphasizing need efficient sustainable solutions. Subsequently, we delve theoretical foundations MD, MC, QM, highlighting respective strengths simulating pollutant adsorption. Moreover, synergistic potential combining methodologies is also discussed more characterization processes. Recent case studies illustrate successful application techniques predicting behaviors various conditions. Finally, implications discussed, along with how modelling can guide solutions mitigating impact.
Language: Английский
Citations
16International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(18), P. 9855 - 9855
Published: Sept. 12, 2024
Tetracycline’s accumulation in the environment poses threats to human health and ecological balance, necessitating efficient rapid removal methods. Novel porous metal–organic framework (MOF) materials have garnered significant attention academia due their distinctive characteristics. This paper focuses on studying adsorption performance of amino-modified MIL-101(Fe) towards tetracycline, along with mechanisms. The main research objectives conclusions are as follows: (1) NH2-MIL-101(Fe) MOF were successfully synthesized via solvothermal method, confirmed through various characterization techniques including XRD, FT-IR, SEM, EDS, XPS, BET, TGA. (2) exhibited a 40% enhancement tetracycline compared MIL-101(Fe), primarily chemical following pseudo-second-order kinetics. process conformed well Freundlich isotherm models, indicating multilayer heterogeneous Thermodynamic analysis revealed spontaneous endothermic reaction. (3) An increased adsorbent dosage temperature correspondingly improved NH2-MIL-101(Fe)’s efficiency, optimal observed under neutral pH conditions. These findings provide new strategies for effective from environment, thus holding implications environmental protection.
Language: Английский
Citations
16Journal of Environmental Management, Journal Year: 2022, Volume and Issue: 323, P. 116302 - 116302
Published: Oct. 13, 2022
Language: Английский
Citations
39Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 474, P. 145637 - 145637
Published: Aug. 26, 2023
Language: Английский
Citations
26Environment International, Journal Year: 2024, Volume and Issue: 186, P. 108633 - 108633
Published: April 1, 2024
In the severe pollution area of nanoplastics (NPs) and cadmium ions (Cd2+), joint effects their high environmental concentrations on primary producers may differ from those low doses. Thus, we investigated physiological changes, cell morphology, molecular dynamic simulation, phenotypic interactions, metabolomics responses C. pyrenoidosa to NPs Cd2+ after 12-d acclimation. After cultivation, mono-NPs mono-Cd2+ reduced density triggered antioxidant enzymes, extracellular polymeric substances (EPS) production, aggregation defend unfavorable effects. Based chlorine atoms had charge attraction with nitrogen phosphorus in choline phosphate groups membrane, thereby could adsorb cells destroy them. exposure, dominated variations ultrastructure alleviated toxicity Cd2+. Due its concentration, more compete microalgae for thicken walls, diminishing content enzymes microalgae. addition also decreased EPS content, while bound –CN bond was kept detoxicate Metabolomics results showed that downregulated nucleotide, arachidonic acid, tryptophan metabolisms, an opposite trend. Compared respective exposures, found changes metabolic molecules, suggesting NPs_Cd2+ mitigated by balancing tryptophan, arginine proline metabolisms. Consequently, this study provided new insights simultaneous exposure cellular toxicity, which change fates biogeochemical cycles aquatic systems.
Language: Английский
Citations
14Chemosphere, Journal Year: 2022, Volume and Issue: 307, P. 136103 - 136103
Published: Aug. 19, 2022
Language: Английский
Citations
29