Molecular Connectivity Indices and Soil Properties to Predict Sorption of Per- and Polyfluoroalkyl Substances

Paulina Alulema-Pullupaxi; Fatih Evrendilek; M. Dilara Hatinoglu; Sonia Moavenzadeh Ghaznavi; Kenneth Mensah; Manisha Choudhary; Sonora Ortiz; Onur G. Apul

doi:10.1039/d5em00532a

January 1, 2026Environmental Science Processes & ImpactsOpen Access

Molecular Connectivity Indices and Soil Properties to Predict Sorption of Per- and Polyfluoroalkyl Substances

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Key Points

The research aims to model the relationship between molecular connectivity indices and the sorption of PFAS in soil.
Developed a modeling approach to predict log Kd for PFAS.
Analyzed the impact of molecular connectivity indices on PFAS sorption.
Evaluated soil properties in relation to PFAS behavior.
Established a predictive model for log Kd values.
Showed significant correlations between MCIs and PFAS sorption.
Identified soil properties that influence PFAS partitioning.

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Implication

Modeling predicts the sorption of PFAS in soil, indicating new methods for environmental assessment.

Abstract

This study presents a modeling approach to predict soil-water partitioning coefficient (log Kd, L/kg) for per- and polyfluoroalkyl substances (PFAS) as a function of molecular connectivity indices (MCIs) and soil...

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Cite This Study

Alulema-Pullupaxi et al. (2026) studied this question.

synapsesocial.com/papers/69ccb79916edfba7beb8998f https://doi.org/10.1039/d5em00532a

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Molecular Connectivity Indices and Soil Properties to Predict Sorption of Per- and Polyfluoroalkyl Substances

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

Molecular Connectivity Indices and Soil Properties to Predict Sorption of Per- and Polyfluoroalkyl Substances

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

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