Molecular simulation-based assessing of a novel metal-organic framework modified with alginate and chitosan biopolymers for anionic reactive black 5 and cationic crystal violet pollutants capture

Separation and Purification Technology, Год журнала: 2025, Номер 354, С. 128986 - 128986

Опубликована: Фев. 1, 2025

Язык: Английский

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Integrative analysis of multi machine learning models for tetracycline photocatalytic degradation with MOFs in wastewater treatment

Chemosphere, Год журнала: 2023, Номер 350, С. 141010 - 141010

Опубликована: Дек. 26, 2023

Язык: Английский

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pH-Sensitive adsorption of gastrointestinal drugs (famotidine and pantoprazole) as pharmaceutical pollutants by using the Au-doped@ZIF-90-glycerol adsorbent: insights from computational modeling

Journal of Materials Chemistry A, Год журнала: 2023, Номер 11(47), С. 26127 - 26151

Опубликована: Янв. 1, 2023

Gastrointestinal drug pollutants pose environmental risks. Our study explores the adsorption of famotidine (FA) and pantoprazole (PA) using Au-ddoped@ZIF-90-gglycerol adsorbent (A@Z/G), emphasizing pH-sensitive effects on ecosystems.

Язык: Английский

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Agricultural waste-derived (nano)materials for water and wastewater treatment: Current challenges and future perspectives

Journal of Cleaner Production, Год журнала: 2023, Номер 421, С. 138524 - 138524

Опубликована: Авг. 21, 2023

Язык: Английский

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Recent Development of Metal–Organic Frameworks for Water Purification

Langmuir, Год журнала: 2024, Номер 40(10), С. 5060 - 5076

Опубликована: Фев. 28, 2024

Water contamination is an increasing concern to mankind because of the amount pollutants in aquatic ecosystems. To purify polluted water, various techniques have been used remove hazardous components. Unfortunately, traditional cleanup with a low uptake capacity are unable achieve water purification. Metal–organic frameworks (MOFs) recently shown potential effective pollutant isolation terms selectivity and adsorption over porous materials. The high surface area versatile functionality MOFs allow for development new adsorbents. range treatments recent five years will be highlighted this review, along assessments performance relevant particular task. Moreover, outlook on future opportunities purification using also provided.

Язык: Английский

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Molecular Simulation Studies of Pharmaceutical Pollutant Removal (Rosuvastatin and Simvastatin) Using Novel Modified-MOF Nanostructures (UIO-66, UIO-66/Chitosan, and UIO-66/Oxidized Chitosan)

ACS Applied Materials & Interfaces, Год журнала: 2024, Номер 16(20), С. 26685 - 26712

Опубликована: Май 9, 2024

The ubiquitous presence of pharmaceutical pollutants in the environment significantly threatens human health and aquatic ecosystems. Conventional wastewater treatment processes often fall short effectively removing these emerging contaminants. Therefore, development high-performance adsorbents is crucial for environmental remediation. This research utilizes molecular simulation to explore potential novel modified metal-organic frameworks (MOFs) pollutant removal, paving way design efficient strategies. Utilizing UIO-66, a robust MOF, as base material, we developed UIO-66 functionalized with chitosan (CHI) oxidized (OCHI). These MOFs' physical chemical properties were first investigated through various characterization techniques. Subsequently, dynamics (MDS) Monte Carlo (MCS) employed elucidate adsorption mechanisms rosuvastatin (ROSU) simvastatin (SIMV), two prevalent pollutants, onto nanostructures. MCS calculations demonstrated significant enhancement energy by incorporating CHI OCHI into UIO-66. increased ROSU from -14,522 -16,459 kcal/mol SIMV -17,652 -21,207 kcal/mol. Moreover, MDS reveals rejection rates neat be at 40%, rising 60 70% OCHI. Accumulation increase 4 Å 6 9 UIO-CHI UIO-OCHI. Concentration analysis shows surges 50 90%, accumulation increasing 11 Functionalizing enhanced capacity selectivity SIMV. Abundant hydroxyl amino groups facilitated strong interactions, improving performance over that unmodified Surface functionalization plays vital role customizing MOFs removal. insights guide next-gen adsorbent development, offering high efficiency treatment.

Язык: Английский

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A sustainable and highly efficient fossil-free carbon from olive stones for emerging contaminants removal from different water matrices

Chemosphere, Год журнала: 2024, Номер 351, С. 141189 - 141189

Опубликована: Янв. 9, 2024

The olive stone is a large waste product of the oil extraction industry. present study investigates developing activated carbon from (OSAC) to remove pharmaceuticals water. Different temperatures and stone: KOH ratios were studied. OSAC produced at 750 °C 1:3 ratio was found have highest porosity surface area tested in adsorption process. Diclofenac ciprofloxacin selected as model contaminants. process optimized with regards dosage, pH, temperature, initial concentration adsorbate. be effective for wide pH range (2–11) an optimum dosage 1 g/L 25 °C. almost completely removed 75 min. endothermic followed first-order kinetics physical mechanisms such electrostatic possibly being main driver. conditions applied test removal diclofenac synthetic water, lake water (Lake Balaton, Hungary) secondary wastewater seven cycles. There little difference between matrices highlighting potency adsorbent pharmaceutical industrial applications. dropped >99% first cycle 20–30% seventh cycle.

Язык: Английский

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Sustainability and Photocatalytic Performance of MOFs: Synthesis Strategies and Structural Insights

Journal of Cleaner Production, Год журнала: 2024, Номер 470, С. 143263 - 143263

Опубликована: Июль 27, 2024

Язык: Английский

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Surface modification of transition metals (TM: Mn, Fe, Co) decorated Pt-doped carbon quantum dots (Pt@CQDs) nanostructure as nonenzymatic sensors for nitrotyrosine (a biomarker for Alzheimer): Perspective from density functional theory

Materials Science in Semiconductor Processing, Год журнала: 2024, Номер 174, С. 108245 - 108245

Опубликована: Фев. 20, 2024

Язык: Английский

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Removal of Methylene Blue from Simulated Wastewater Based upon Hydrothermal Carbon Activated by Phosphoric Acid

Water, Год журнала: 2025, Номер 17(5), С. 733 - 733

Опубликована: Март 3, 2025

Cationic dyes pose potential health risks to humans due their higher toxicity levels. Most current research focuses on the utilization of biomass waste in preparation multifunctional materials mitigate adverse impact cationic dye wastewater environment. However, conventional methods biochar require elevated pyrolysis temperatures and greater energy consumption. Accordingly, this study aims investigate effectiveness removal methylene blue (MB) from simulated using a one-step phosphoric acid activation hydrothermal carbonization technique. SEM, BET, XRD, FTIR, XPS analyses were conducted surface morphology chemical composition pine sawdust (PS) as raw material, with carbon (HTC-PS), acid-activated (PHTC-PS). The results demonstrate that PHTC-PS exhibits maximum adsorption capacity 268.4 mg/g for MB at 298 K. experimental data its consistency through both Langmuir isotherm model pseudo-second-order kinetic model, suggesting mechanism predominantly involves monolayer formation interactions. Additionally, thermodynamic parameters reveal is spontaneous endothermic reaction. Thus, demonstrates method can achieve satisfactory efficiency advantages lower consumption, simplicity operation, mild conditions.

Язык: Английский

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