Mechanisms of <i>Listeria monocytogenes</i> Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves
Unravelling the mechanisms of action of disinfectants is essential to optimise dosing regimes and minimise the emergence of antimicrobial resistance. In this work, we examined the mechanisms of action of a commonly used disinfectant—benzalkonium chloride (BAC)—over a significant pathogen—<i>L....
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-07-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | https://www.mdpi.com/1422-0067/24/15/12132 |
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| author | Martín Pérez-Rodríguez Marta López Cabo Eva Balsa-Canto Míriam R. García |
| author_facet | Martín Pérez-Rodríguez Marta López Cabo Eva Balsa-Canto Míriam R. García |
| author_sort | Martín Pérez-Rodríguez |
| collection | DOAJ |
| description | Unravelling the mechanisms of action of disinfectants is essential to optimise dosing regimes and minimise the emergence of antimicrobial resistance. In this work, we examined the mechanisms of action of a commonly used disinfectant—benzalkonium chloride (BAC)—over a significant pathogen—<i>L. monocytogenes</i>—in the food industry. For that purpose, we used modelling at multiple scales, from the cell membrane to cell population inactivation. Molecular modelling revealed that the integration of the BAC into the membrane requires three phases: (1) the approaching of BAC to the cellular membrane, (2) the absorption of BAC to its surface, and (3) the integration of the compound into the lipid bilayer, where it remains at least for several nanoseconds, probably destabilising the membrane. We hypothesised that the equilibrium of adsorption, although fast, was limiting for sufficiently large BAC concentrations, and a kinetic model was derived to describe time–kill curves of a large population of cells. The model was tested and validated with time series data of free BAC decay and time–kill curves of <i>L. monocytogenes</i> at different inocula and BAC dose concentrations. The knowledge gained from the molecular simulation plus the proposed kinetic model offers the means to design novel disinfection processes rationally. |
| first_indexed | 2024-03-11T00:26:19Z |
| format | Article |
| id | doaj.art-534df83909e840a993c983f6c753eede |
| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-11T00:26:19Z |
| publishDate | 2023-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-534df83909e840a993c983f6c753eede2023-11-18T23:00:48ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672023-07-0124151213210.3390/ijms241512132Mechanisms of <i>Listeria monocytogenes</i> Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill CurvesMartín Pérez-Rodríguez0Marta López Cabo1Eva Balsa-Canto2Míriam R. García3Biosystems & Bioprocess Engineering Group, IIM-CSIC Spanish National Research Council, 36208 Vigo, SpainMicrobiology Group, IIM-CSIC Spanish National Research Council, 36208 Vigo, SpainBiosystems & Bioprocess Engineering Group, IIM-CSIC Spanish National Research Council, 36208 Vigo, SpainBiosystems & Bioprocess Engineering Group, IIM-CSIC Spanish National Research Council, 36208 Vigo, SpainUnravelling the mechanisms of action of disinfectants is essential to optimise dosing regimes and minimise the emergence of antimicrobial resistance. In this work, we examined the mechanisms of action of a commonly used disinfectant—benzalkonium chloride (BAC)—over a significant pathogen—<i>L. monocytogenes</i>—in the food industry. For that purpose, we used modelling at multiple scales, from the cell membrane to cell population inactivation. Molecular modelling revealed that the integration of the BAC into the membrane requires three phases: (1) the approaching of BAC to the cellular membrane, (2) the absorption of BAC to its surface, and (3) the integration of the compound into the lipid bilayer, where it remains at least for several nanoseconds, probably destabilising the membrane. We hypothesised that the equilibrium of adsorption, although fast, was limiting for sufficiently large BAC concentrations, and a kinetic model was derived to describe time–kill curves of a large population of cells. The model was tested and validated with time series data of free BAC decay and time–kill curves of <i>L. monocytogenes</i> at different inocula and BAC dose concentrations. The knowledge gained from the molecular simulation plus the proposed kinetic model offers the means to design novel disinfection processes rationally.https://www.mdpi.com/1422-0067/24/15/12132<i>Listeria monocytogenes</i>Benzalkonium Chloride (BAC)mechanisms of disinfectionmolecular dynamicsmembrane adsorptionpredictive microbiology |
| spellingShingle | Martín Pérez-Rodríguez Marta López Cabo Eva Balsa-Canto Míriam R. García Mechanisms of <i>Listeria monocytogenes</i> Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves International Journal of Molecular Sciences <i>Listeria monocytogenes</i> Benzalkonium Chloride (BAC) mechanisms of disinfection molecular dynamics membrane adsorption predictive microbiology |
| title | Mechanisms of <i>Listeria monocytogenes</i> Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves |
| title_full | Mechanisms of <i>Listeria monocytogenes</i> Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves |
| title_fullStr | Mechanisms of <i>Listeria monocytogenes</i> Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves |
| title_full_unstemmed | Mechanisms of <i>Listeria monocytogenes</i> Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves |
| title_short | Mechanisms of <i>Listeria monocytogenes</i> Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves |
| title_sort | mechanisms of i listeria monocytogenes i disinfection with benzalkonium chloride from molecular dynamics to kinetics of time kill curves |
| topic | <i>Listeria monocytogenes</i> Benzalkonium Chloride (BAC) mechanisms of disinfection molecular dynamics membrane adsorption predictive microbiology |
| url | https://www.mdpi.com/1422-0067/24/15/12132 |
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