Antibacterial E ect of Chitosan–Gold Nanoparticles and Computational Modeling of the Interaction between Chitosan and a Lipid Bilayer Model

Pathogenic bacteria have the ability to develop antibiotic resistance mechanisms. Their action consists mainly in the production of bacterial enzymes that inactivate antibiotics or the appearance of modifications that prevent the arrival of the drug at the target point or the alteration of the target point itself, becoming a growing problem for health systems. Chitosan–gold nanoparticles (Cs-AuNPs) have been shown as effective bactericidal materials avoiding damage to human cells. In this work, Cs-AuNPs were synthesized using chitosan as the reducing agent, and a systematic analysis of the influence of the synthesis parameters on the size and zeta potential of the Cs-AuNPs and their UV-vis spectra was carried out. We used a simulation model to characterize the interaction of chitosan with bacterial membranes, using a symmetric charged bilayer and two different chitosan models with different degrees of the chitosan amine protonation as a function of pH, with the aim to elucidate the antibacterial mechanism involving the cell wall disruption. The Cs-AuNP antibacterial activity was evaluated to check the simulation model

Antibacterial Effect of Chitosan–Gold Nanoparticles and Computational Modeling of the Interaction between Chitosan and a Lipid Bilayer Model

Pathogenic bacteria have the ability to develop antibiotic resistance mechanisms. Their action consists mainly in the production of bacterial enzymes that inactivate antibiotics or the appearance of modifications that prevent the arrival of the drug at the target point or the alteration of the target point itself, becoming a growing problem for health systems. Chitosan–gold nanoparticles (Cs-AuNPs) have been shown as effective bactericidal materials avoiding damage to human cells. In this work, Cs-AuNPs were synthesized using chitosan as the reducing agent, and a systematic analysis of the influence of the synthesis parameters on the size and zeta potential of the Cs-AuNPs and their UV-vis spectra was carried out. We used a simulation model to characterize the interaction of chitosan with bacterial membranes, using a symmetric charged bilayer and two different chitosan models with different degrees of the chitosan amine protonation as a function of pH, with the aim to elucidate the antibacterial mechanism involving the cell wall disruption. The Cs-AuNP antibacterial activity was evaluated to check the simulation model.Fil: Fuster, M.G.. Universidad de Murcia. Facultad de Química; EspañaFil: Montalbán, M. G.. Universidad de Murcia. Facultad de Química; EspañaFil: Carissimi, G.. Universidad de Murcia. Facultad de Química; EspañaFil: Lima, Beatriz Viviana. Universidad Nacional de San Juan. Facultad de Ingeniería. Instituto de Biotecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Juan; ArgentinaFil: Feresin, Gabriela Egly. Universidad Nacional de San Juan. Facultad de Ingeniería. Instituto de Biotecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Juan; ArgentinaFil: Cano, M.. Universidad de Cordoba. Instituto Universitario de Investigación En Química Fina y Nanoquímica.; EspañaFil: Giner Casares, J. J.. Universidad de Cordoba. Instituto Universitario de Investigación En Química Fina y Nanoquímica.; EspañaFil: López Cascales, J.J.. Universidad Politécnica de Cartagena; EspañaFil: Enriz, Ricardo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; ArgentinaFil: Víllora, G.. Universidad de Murcia. Facultad de Química; Españ

Synthesis and characterization data of monocationic and dicationic ionic liquids or molten salts

Data presented in this article are related with the research paper entitled “Ecotoxicity assessment of dicationic versus monocationic ionic liquids as a more environmentally friendly alternative” [1]. The present article describes the synthesis steps and characterization data of a set of twenty-six imidazolium, pyrrolidinium and pyridinium-based ionic liquids (ILs) or molten salts: nine monocationic and seventeen dicationic. Specifically, the chemical structure of the compounds was confirmed by 1H NMR, 13C NMR and 19F NMR spectroscopy and mass spectrometry (MS). Other data such as physical state at room temperature, melting point temperature (for solids at room temperature) and thermal decomposition temperature (when melting was not reached before decomposition) of the ILs or molten salts are also reported here