ArticleJournal of molecular modeling2024
Molecular dynamic studies of gold nanoparticles in a dental material TEGDMA.
Article in Journal of molecular modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
contextIn the context of biomaterials, triethylene glycol dimethacrylate (TEGDMA) is a widely used monomer in dental resins due to its favorable mechanical properties and ease of polymerization. However, improving its structural stability and enhancing its performance in biological applications remain crucial goals. This study examines the impact of incorporating gold (Au) nanoparticles into the TEGDMA matrix, focusing on their potential to improve mechanical, thermal, and optical properties for biomedical applications. Gold is known for its bio-compatibility, antimicrobial properties, and ability to improve material conductivity, making it an attractive addition for dental and tissue engineering composites. By introducing Au nanoparticles at varying concentrations (0%, 3%, 4%, and 5%), this research aims to optimize TEGDMA's performance in medical grade materials, particularly in dental composites where enhanced strength and durability are vital.
methodsMolecular dynamics (MD) simulations were employed to investigate the structural, thermal, and mechanical properties of TEGDMA with varying concentrations of Au nanoparticles. LAMMPS software was used to compute cohesive energy, surface tension, viscosity, and mechanical moduli. Quantum chemical calculations were conducted using Gaussian and RDKit to optimize the molecular structure and obtain electronic properties, including UV-Vis and IR spectra. Phonon spectra and lattice energy were analyzed to evaluate the vibrational properties and thermal stability of the Au-doped TEGDMA matrix. The results were benchmarked against experimental data, offering a comprehensive computational analysis of the impact of Au nanoparticles on the material's performance. Functional data analysis techniques were applied to correlate nanoparticle concentration with the computed properties.
Indexed as
Identifiers
39708192What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.