22 ottobre 2024
Complesso dei SS. Marcellino e Festo
Europe/Rome timezone

Modelling 2D Nanoflake - Bacterium Interactions in Solutions

Not scheduled
Complesso dei SS. Marcellino e Festo

Complesso dei SS. Marcellino e Festo

Largo S. Marcellino 10 - Napoli

Speakers

Nicolas Leto Dr. Jaber Adam

Description

Abstract:

Understanding the interaction between nanomaterials and biological membranes is crucial for advancing applications in nanomedicine and antimicrobial therapies. Nanomaterials such as MoS₂ and WS₂ nanoflakes exhibit unique physical properties that could be used for biomedical applications.
This study aims to investigate the interaction dynamics between a bacterium such as Staphylococcus aureus (S. aureus), potentially responsible for some important pathologies such serious forms of pneumonia, and two-dimensional (2D) nanoflakes of MoS₂ and WS₂. The model, based on Molecular Dynamics (MD) simulations, takes into account the material type, its affinity with the bacterial culture, and the concentration of the nanoflakes relative to the bacteria in solution.
The study shows that nanoflake material and concentration significantly influence the interactions with and the dynamical approach to the bacterial surface, with MoS₂ and WS₂ displaying distinct behaviours. These insights help potential advance in the use of nanomaterials as antimicrobial agents.

Keywords: Staphylococcus aureus, Molecular Dynamics (MD) Simulations, Nanoflakes, Transition Metal Dichalcogenides (TMDs), Nanomaterials-Bacteria Interaction, LAMMPS

Department University of Naples Federico II

Primary authors

Nicolas Leto Dr. Jaber Adam Dr. Andrea Maria Chiariello (Dipartimento di Fisica Ettore Pancini, Università di Napoli Federico II) Dr. Manjot Singh Dr. Mohammadhassan Valadan Prof. Mariarosaria Del Sorbo Dr. Simona Bianco CARLO ALTUCCI (Dept. of Advanced Biomedical Sciences - Università degli Studi di Napoli Federico II) MARIO NICODEMI (Università di Napoli "Federico II")

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