We are analyzing https://link.springer.com/article/10.1007/s11051-023-05757-8.

Title:
Quantum studies of the interaction of nanostructured graphene with polymethyl methacrylate for dental applications | Journal of Nanoparticle Research
Description:
In the most recent literature, it has been reported that the properties of polymethyl methacrylate (PMMA) for dental and biomedical applications are substantially improved by embedding graphene. However, there are few theoretical and atomistic simulation works reported in scientific journals that support clinical and experimental research on the subject. In this work, a theoretical process based on methods of the density functional theory (DFT) is presented to study at the quantum level the interaction of PMMA with graphene sheets. Specifically, an atomic model will be obtained, in its most stable state, of the polymethyl methacrylate-graphene (PG) compound to later determine its most active or maximum reactivity points and zones. In future perspectives, we will use the model and the results obtained in this work to carry out studies at the quantum, atomic, and molecular levels of the interaction of the PG compound with the cells of the buccal gums in order to find durability, biocompatibility, hardness, and antibacterial activity of the PG structure embedded in the buccal gum cell.
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Keywords {🔍}

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Topics {✒️}

alberto garcia-quiroz cad/cam high-density pmma article lópez-chávez month download article/chapter materials design-contact lenses electron-gas correlation energy polymethylmethacrylate-grafted gellan gum jesús estrada-hernández single-wall carbon nanotubes high-resolution computed tomography differential nano-bio interactions graphene-based dental adhesive titanium-coated polymethyl methacrylate atomic layer-deposited titanium graphene-based materials biocompatibility polymer-based provisional crown nano-graphene oxide incorporated dimensional reduced-graphene oxide garcia-quiroz denture base materials nitrogen doped graphene composite-based polymers cad/cam restorations nanoparticle research aims full article pdf pmma-based nanocomposites privacy choices/manage cookies provisional dental materials drug delivery system accepted manuscript version polymethyl methacrylate nanoparticles density functional theory density-functional theory polymethyl methacrylate-graphene dental pulp regeneration based ph-sensitive polymethyl methacrylate dentures montiel-company jm almerich-silla jm holds exclusive rights estrada-hernández conceptual dft framework pmma-g-gg silver nanoparticles addition european economic area buccal gum cell occlusal splints modified controlling fungal biofilms prevent microbial adhesion alves rezende mcr

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            Inorganic Chemistry
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            Optics
            Lasers
            Photonics
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      description:In the most recent literature, it has been reported that the properties of polymethyl methacrylate (PMMA) for dental and biomedical applications are substantially improved by embedding graphene. However, there are few theoretical and atomistic simulation works reported in scientific journals that support clinical and experimental research on the subject. In this work, a theoretical process based on methods of the density functional theory (DFT) is presented to study at the quantum level the interaction of PMMA with graphene sheets. Specifically, an atomic model will be obtained, in its most stable state, of the polymethyl methacrylate-graphene (PG) compound to later determine its most active or maximum reactivity points and zones. In future perspectives, we will use the model and the results obtained in this work to carry out studies at the quantum, atomic, and molecular levels of the interaction of the PG compound with the cells of the buccal gums in order to find durability, biocompatibility, hardness, and antibacterial activity of the PG structure embedded in the buccal gum cell.
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         Optics
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