Molecular Dynamics Simulations of pH-Dependent Ciprofloxacin Adsorption to Na-montmorillonite

Rogers Swai; Michael Holmboe

doi:10.1039/d5cp04597e

January 1, 2026Physical Chemistry Chemical PhysicsOpen Access

Molecular Dynamics Simulations of pH-Dependent Ciprofloxacin Adsorption to Na-montmorillonite

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Key Points

This research aims to understand how pH affects the adsorption of ciprofloxacin to Na-montmorillonite, a type of clay.
Utilized molecular dynamics simulations to model adsorption processes
Varied pH levels to assess their impact on ciprofloxacin interactions
Analyzed adsorption efficacy using computational models
Demonstrated significant pH dependence in ciprofloxacin adsorption
Found optimal pH range for maximum adsorption efficiency
Highlighted potential environmental risks tied to antibiotic persistence in soils

Implication

Molecular dynamics simulations investigate ciprofloxacin adsorption in soils, suggesting environmental implications.

Abstract

Ciprofloxacin (CIP) is one of the most widely used and environmentally persistent antibiotic compounds, which is increasingly being found in soils, sediments, and natural waters. Because CIP strongly associates with...

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Cite This Study

Swai et al. (2026) studied this question.

synapsesocial.com/papers/69c8c30dde0f0f753b39da2e https://doi.org/10.1039/d5cp04597e

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Molecular Dynamics Simulations of pH-Dependent Ciprofloxacin Adsorption to Na-montmorillonite

Key Points

Implication

Abstract

Discussion

Cite This Study

Molecular Dynamics Simulations of pH-Dependent Ciprofloxacin Adsorption to Na-montmorillonite

Key Points

Implication

Abstract

Discussion

Cite This Study

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