Adsorption characteristics of metronidazole on CoZr-LDH and its GO nanocomposite: Experimental and theoretical study

Heliyon, Journal Year: 2025, Volume and Issue: 11(3), P. e42396 - e42396

Published: Feb. 1, 2025

Highlights•First-time synthesis of CoZr-LDH and its composite with graphene oxide (GO) using a green, solventless mechanochemical method alongside hydrothermal synthesis.•Novel adsorption study metronidazole, critical environmental antibiotic pollutant, revealing detailed interactions within the CoZr-LDH/GO structure.•Comprehensive evaluation capacity, demonstrating structural benefits pollutant interaction mechanisms for first time.•Innovative comparison quantum calculations Monte Carlo locator simulations, applied time to predict analyze on LDH LDH/GO surfaces, providing significant insights into efficiency.AbstractCoZr-LDH Graphene Oxide nanocomposite were synthesized by methods, respectively, absorb metronidazole as from an aqueous solution. In this study, Tetravalent divalent metal cations employed. The characterized SEM, EDS, IR, BET, XRD analyses. process both adsorbents, parameters such initial solution pH, adsorbent dose, drug concentration, contact optimized obtain maximum capacity. performance was thoroughly investigated removal (MNZ), contaminant. demonstrated optimal adsorption, yielding experimental qe value 189.1376 mg g-1. Conversely, exhibited superior under optimum conditions, achieving remarkable 906.5688 g-1.The isotherms, including Langmuir, Freundlich, Redlich-Peterson models, fitted data describe surface characteristics. Additionally, kinetic studies involving pseudo-first-order pseudo-second-order models performed, process. Post-adsorption characterization confirmed successful between MNZ adsorbents. This emphasizes potential GO-enhanced effective addressing status in wastewater.To comprehensively CoZr-LDH/GO, theoretical analyses conducted computational method. approach, known simulating numerous particle trajectories statistical averaging, allowed in-depth examination various conditions. findings, validated against data, enhanced model accuracy provided deeper behaviors complex environments.Graphical abstract

Language: Английский

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Functional nanocellulose hydrogel with amino acid integration for enhanced Li/Fe separation in LiFePO4 batteries

International Journal of Biological Macromolecules, Journal Year: 2025, Volume and Issue: 298, P. 140018 - 140018

Published: Jan. 17, 2025

Language: Английский

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Spirogyra sp. Macro-Algae-Supported NiCr-LDH Adsorbent for Enhanced Remazol Red Dye Removal

Results in Surfaces and Interfaces, Journal Year: 2025, Volume and Issue: 18, P. 100427 - 100427

Published: Jan. 1, 2025

Language: Английский

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Comprehensive insights into molecular simulation-driven advances in functional materials for pollutant mitigation

Coordination Chemistry Reviews, Journal Year: 2025, Volume and Issue: 534, P. 216580 - 216580

Published: March 8, 2025

Language: Английский

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Applications of Molecular Dynamics in Nanomaterial Design and Characterization - A Review

Chemical Engineering Journal Advances, Journal Year: 2025, Volume and Issue: unknown, P. 100731 - 100731

Published: March 1, 2025

Language: Английский

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Microplastic contaminant adsorption by graphene oxide layer

Journal of Biological Physics, Journal Year: 2025, Volume and Issue: 51(1)

Published: March 14, 2025

Language: Английский

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Advances in actinobacteria-based bioremediation: mechanistic insights, genetic regulation, and emerging technologies

Biodegradation, Journal Year: 2025, Volume and Issue: 36(2)

Published: March 14, 2025

Language: Английский

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Ecological Concrete-Based Modular System for Heavy Metal Removal in Riparian Transition Zones: Design, Optimization and Performance Evaluation

Applied Sciences, Journal Year: 2025, Volume and Issue: 15(7), P. 3721 - 3721

Published: March 28, 2025

This study presents the development and evaluation of an innovative modular ecological transition zone system for riparian restoration. Through systematic optimization, we developed a C25-grade concrete module (100 mm × 100 mm) with specialized cavity design (φ61 H60 that achieves optimal balance between structural integrity (20–30 MPa compressive strength) environmental functionality (>15% porosity, >1 10−4 cm s−1 permeability). The incorporates precisely calibrated proportions cement (378 kg m−3), reinforcing agent (12 aggregate (1650 water (137 L creating robust platform remediation. was evaluated at two scales: module-scale experiments in 25 containers (833:1 mL g−1 ratio) kinetic studies (10:1 ratio), revealing sophisticated three-phase removal process. initial rapid surface adsorption phase (0–4 h) achieved rates 0.28–0.42 mg h−1, followed by pore diffusion (4–24 chemical fixation phases, patterns effectively modeled using modified pseudo-second-order equation. demonstrated exceptional heavy metal capabilities across varying concentration ranges, achieving efficiencies 95.6% Pb2+ ions, 92.3% Cd2+ 84.2% Cr3+ 89.7% Cu2+ 84.8% Zn2+ ions under conditions. Performance remained orders magnitude maintaining above 80% both experimental scales. design’s cost-effectiveness is through material costs USD 45–60 m−3, operational 40–60% lower than conventional systems. research provides practical, cost-effective solution restoration, combining durability efficient pollutant while consistent performance

Language: Английский

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Molecular docking of Cu(II) and Zn(II) complexes for tyrosinase inhibition and drug loading on boron nitride nanotube scaffolds using Monte Carlo simulations

Journal of Molecular Modeling, Journal Year: 2025, Volume and Issue: 31(5)

Published: April 7, 2025

Language: Английский

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Soybean hull hemicellulose–soybean protein isolate composite aerogel: Adsorption material for remediation of heavy metal-polluted water

International Journal of Biological Macromolecules, Journal Year: 2025, Volume and Issue: unknown, P. 143298 - 143298

Published: April 1, 2025

Language: Английский

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