Structure-dependent chlorine dioxide release from poly(acrylic acid) and hydroxyethyl cellulose hydrogels: Insights from real-time positron annihilation lifetime spectroscopy and quantum chemical calculations.

Pegah Poursafar, Adrienn Kazsoki, Barnabás Palcsó, Károly Süvegh, Romána Zelkó

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Article in Food chemistry: X, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 authors.

Pegah PoursafarUniversity Pharmacy Department of Pharmacy Administration, Faculty of Pharmaceutical Sciences, Semmelweis University, Hőgyes E. Street 7-9, H-1092 Budapest, Hungary.

Adrienn KazsokiUniversity Pharmacy Department of Pharmacy Administration, Faculty of Pharmaceutical Sciences, Semmelweis University, Hőgyes E. Street 7-9, H-1092 Budapest, Hungary.

Barnabás PalcsóUniversity Pharmacy Department of Pharmacy Administration, Faculty of Pharmaceutical Sciences, Semmelweis University, Hőgyes E. Street 7-9, H-1092 Budapest, Hungary.

Károly SüveghEötvös Loránd University Laboratory of Nuclear Chemistry, P.O. Box 32, H-1518 Budapest, Hungary.

Romána ZelkóUniversity Pharmacy Department of Pharmacy Administration, Faculty of Pharmaceutical Sciences, Semmelweis University, Hőgyes E. Street 7-9, H-1092 Budapest, Hungary.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Chlorine dioxide (ClO₂) is a potent disinfectant used in controlled-release systems for water treatment and antimicrobial purposes. This study investigates ClO₂ release kinetics in poly(acrylic acid) (PAA) and hydroxyethyl cellulose (HEC) hydrogels via positron annihilation lifetime spectroscopy and quantum chemical modeling. PAA hydrogels released ClO₂ 2.5 times faster than HEC, with a 68.7 % decrease in o-Ps lifetime intensity in 12 h, compared to 27.3 % for HEC. This rapid release is linked to PAA's linear, anionic structure, showing binding energies of -24.8 kJ/mol for ClO₂ and - 65.6 kJ/mol for water. HEC hydrogels showed concentration-dependent release; 4 %

Indexed as

Acrylic acid (PubChem CID: 6581)Antimicrobial deliveryCarboxyl (PubChem CID: 23667)Chlorine dioxide hydrogelsChlorine dioxide (PubChem CID: 24870)Controlled releaseGlucose (PubChem CID: 5793)Hydroxyethyl cellulose (PubChem CID: 24846132)Hydroxyethyl (PubChem CID: 123)Poly(acrylic acid) (PubChem CID: 6581)Positron annihilation lifetime spectroscopyQuantum chemical modelingSodium hydroxide (PubChem CID: 14798)Solvocid (PubChem CID: 24870)Water (PubChem CID: 962)

Identifiers

PMID40852572

DOI10.1016/j.fochx.2025.102782

PMCPMC12369423

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