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article · International Journal of Biological Macromolecules

Steric and energetic studies on the influence of cellulose on the adsorption effectiveness of Mg trapped hydroxyapatite for enhanced remediation of chlorpyrifos and omethoate pesticides

202425 citationsOpen accessBeni Suef University

In plain language

Magnesium-trapped hydroxyapatite was combined with cellulose fibre to synthesise a bio-composite material designed to capture toxic pesticides from contaminated environments. Testing the bio-composite against chlorpyrifos and omethoate demonstrated significant increases in uptake capacity compared to the non-hybridised material. At saturation, the bio-composite achieved adsorption capacities of 279.8 mg/g for chlorpyrifos and 317.9 mg/g for omethoate, roughly doubling the performance of unmodified magnesium-trapped hydroxyapatite. Analysis of steric factors confirmed that the cellulose hybridisation enhanced surface reactivity by substantially increasing active uptake site densities. Each uptake site demonstrated the ability to hold multiple pesticide molecules simultaneously, pointing to a multimolecular capture process. Energetic assessments revealed that the adsorption mechanism operates through physical, spontaneous, and exothermic processes for both pesticide types.

Key takeaways

  • Combining magnesium-trapped hydroxyapatite with cellulose fibre creates a bio-composite with substantially improved pesticide uptake capacities.
  • The bio-composite achieved saturation adsorption capacities of 279.8 mg/g for chlorpyrifos and 317.9 mg/g for omethoate.
  • Hybridisation increased active site density and enabled multimolecular adsorption where each site holds more than one pesticide molecule.
  • The remediation process is physically driven, spontaneous, and exothermic for both evaluated pesticides.

Why it matters

Pesticide residues such as chlorpyrifos and omethoate pose serious hazards to water supplies and natural ecosystems. Developing high-capacity bio-composites from abundant materials like cellulose and hydroxyapatite offers an effective approach to environmental remediation. Understanding the surface mechanics and energetic properties of these materials helps optimise filtration media, leading to more efficient removal of dangerous agricultural chemicals from the environment.

Commercialisation angle

This work enables the development of high-capacity filtration media for agricultural runoff or wastewater treatment, targeting environmental remediation operators and water treatment facilities. Based strictly on the provided abstract, the research is at an early experimental stage, focusing on laboratory-scale adsorption metrics, steric analyses, and energetic modelling rather than field trials or prototype deployment.

AI-generated from the published abstract. Always read the original work before citing.

Abstract

Magnesium-trapped hydroxyapatite (Mg.HP) was hybridized with cellulose fiber to produce a bio-composite (CLF/HP) with enhanced adsorption affinities for two types of toxic pesticides (chlorpyrifos (CF) and omethoate (OM)). The enhancement influence of the hybridized cellulose on the adsorption performances of Mg.HP was illustrated based on the determined steric and energetic factors. The computed CF and OM adsorption performances of CLF/HP during the saturation phases are 279.8 mg/g and 317.9 mg/g, respectively, which are significantly higher than the determined values using Mg/HP (143.4 mg/g (CF) and 145.3 mg/g (OM)). The steric analysis demonstrates a strong impact of the hybridization process on the reactivity of the surface of the composite. While CLF/HP reflects effective uptake site densities (Nm) of 93.3 mg/g (CF) and 135.3 mg/g (OM), the estimated values for Mg.HP are 51.2 mg/g (CF) and 46.11 mg/g (OM), which explain the reported enhancement in the adsorption performances of the composite. The capacity of each uptake site to be occupied with more than one molecule (n <sub>(CF)</sub> = 3-3.74 and n <sub>(OM)</sub> = 2.35-3.54) suggests multimolecular uptake. The energetic factors suggested physical mechanistic processes of spontaneous and exothermic behaviors either during the uptake of CF or OM.

Research topics

  • Pesticide and Herbicide Environmental Studies
  • Adsorption and biosorption for pollutant removal
  • Analytical chemistry methods development

Sustainable Development Goals

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DOI: 10.1016/j.ijbiomac.2024.130711

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