Mechanisms of Listeria monocytogenes Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves
Abstract
:1. Introduction
2. Results
2.1. Insight from Molecular Dynamics: Integration of BAC into the L. monocytogenes Membrane
2.2. Modelling Population Kinetics of Time–Kill Curves Based on BAC Membrane Adsorption
2.3. Calibration with Validation
3. Discussion
4. Materials and Methods
4.1. Molecular Dynamics
4.2. Kinetic Modelling Based on BAC Adsorption
4.3. Experimental Methods
5. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Variables | ||
---|---|---|
N | Listeria concentration | Calculated and measured [CFU/mL] |
BAC in cell membrane | Calculated [g/cm] | |
Free BAC | Calculated and measured [ppm = g/mL] | |
Parameters | ||
BAC initial concentration (dose) | Defined by the experimental design [ppm] | |
Inoculum Listeria | Defined by the experimental design [CFU/mL] | |
n | Hill constant | Assumed 30 [-] |
Adsorption rate constant | Assumed 30 [min] | |
Cell membrane surface | Assumed [cm] | |
x | Constant rational model | Estimated 1.29 [-] |
Maximum inactivation rate constant | Estimated 0.60 [min(CFU/mL)] | |
Adsorbed BAC to kill the cell | Estimated 7.66 [g/cm] | |
Henry’s isotherm constant | Estimated 0.65 [cm] |
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Pérez-Rodríguez, M.; López Cabo, M.; Balsa-Canto, E.; García, M.R. Mechanisms of Listeria monocytogenes Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves. Int. J. Mol. Sci. 2023, 24, 12132. https://doi.org/10.3390/ijms241512132
Pérez-Rodríguez M, López Cabo M, Balsa-Canto E, García MR. Mechanisms of Listeria monocytogenes Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves. International Journal of Molecular Sciences. 2023; 24(15):12132. https://doi.org/10.3390/ijms241512132
Chicago/Turabian StylePérez-Rodríguez, Martín, Marta López Cabo, Eva Balsa-Canto, and Míriam R. García. 2023. "Mechanisms of Listeria monocytogenes Disinfection with Benzalkonium Chloride: From Molecular Dynamics to Kinetics of Time-Kill Curves" International Journal of Molecular Sciences 24, no. 15: 12132. https://doi.org/10.3390/ijms241512132