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Abstract A novel, promising biocomposite was synthesized through the free radical polymerization method using methyl methacrylate (MMA), acrylic acid (AA), and hydroxyapatite derived from oyster shells (Os‐HA). Fourier transform infrared spectroscopy (FTIR) peaks indicate the conjugation of Os‐HA in the biocomposite. From the TGA analysis, it was observed that a weight loss of nearly 2% is achieved at 210°C, up to 15% at 210 to 420°C, and up to 95% at 420 to 580°C. The SEM image shows the uniform dispersion of the Os‐HA particles and strong interaction with the copolymer matrix. The broad spectrum at 2θ = 14.6° in XRD analysis indicates the amorphous nature of poly(MMA‐co‐AA)/Os‐HA. The higher inhibition zone of the biocomposite is observed at 125 μL against E. coli bacteria. The maximum water absorption is observed at 15 wt% of Os‐HA. The young's modulus gradually increases, while the impact strength decreases up to 20 wt% of Os‐HA. The artificial neural network (ANN) model has been used to assess the optimum values of impact strength, tensile strength, and Young's modulus of the biocomposite material. The correlation factor (R = 0.998) of the ANN model data indicates greater accuracy of the experimental result.

A novel, promising biocomposite was synthesized through the free radical polymerization method using methyl methacrylate (MMA), acrylic acid (AA), and hydroxyapatite derived from oyster shells (Os‐HA). Fourier transform infrared spectroscopy (FTIR) peaks indicate the conjugation of Os‐HA in the biocomposite. From the TGA analysis, it was observed that a weight loss of nearly 2% is achieved at 210°C, up to 15% at 210 to 420°C, and up to 95% at 420 to 580°C. The SEM image shows the uniform dispersion of the Os‐HA particles and strong interaction with the copolymer matrix. The broad spectrum at 2θ = 14.6° in XRD analysis indicates the amorphous nature of poly(MMA‐co‐AA)/Os‐HA. The higher inhibition zone of the biocomposite is observed at 125 μL against E. coli bacteria. The maximum water absorption is observed at 15 wt% of Os‐HA. The young's modulus gradually increases, while the impact strength decreases up to 20 wt% of Os‐HA. The artificial neural network (ANN) model has been used to assess the optimum values of impact strength, tensile strength, and Young's modulus of the biocomposite material. The correlation factor (R = 0.998) of the ANN model data indicates greater accuracy of the experimental result. [ABSTRACT FROM AUTHOR]

This paper presents a novel cheminformatics approach for the design and synthesis of hydroxyapatite/collagen nanocomposites, which have potential biomedical applications in tissue engineering, drug delivery, and orthopedic and dental implants. The nanocomposites are synthesized by the co-precipitation method with different ratios of hydroxyapatite and collagen. Their mechanical, biological, and degradation properties are analyzed using various experimental and computational techniques. Attenuated total reflection–Fourier-transform infrared spectroscopy, thermogravimetric analysis, and X-ray diffraction unveil the low crystallinity and nanoscale particle size of hydroxyapatite (22.62 nm) and hydroxyapatite/collagen composites (14.81 nm). These findings are substantiated by scanning electron microscopy with energy-dispersive X-ray spectroscopy, confirming the Ca/P ratio between 1.65 and 1.53 and attesting to the formation of non-stoichiometric apatites in all samples, further validated by molecular simulation. The antimicrobial activity of the nanocomposites is evaluated in vitro against several bacterial and fungal strains, demonstrating their medical potential. Additionally, in silico analyses are performed to predict the absorption, distribution, metabolism, and excretion properties and the bioavailability of the collagen samples. This study paves the way for the development of novel biomaterials using chemoinformatics tools and methods, facilitating the optimization of design and synthesis parameters, as well as the prediction of biological outcomes. Future research directions should encompass the investigation of in vivo biocompatibility and bioactivity of the nanocomposites, while exploring further applications and functionalities of these innovative materials. [ABSTRACT FROM AUTHOR]

This study intends to analyze the properties and potential applications of a novel composite coating composed of poly (methyl methacrylate) (PMMA) and silver-doped hydroxyapatite (HAPAg) produced from waste eggshells, which was dip-coated onto Ti6Al4V substrates. Medical implants frequently made of the titanium alloy Ti6Al4V can benefit greatly from surface coatings in terms of biocompatibility and performance. In order to add antibacterial and osteoconductive characteristics, silver-doped hydroxyapatite nanoparticles were dispersed within a PMMA matrix to create the PMMA/HAPAg composite coating. The coated samples report an average contact angle (CA) between 70 and 750 and total surface free energy (SFE) between 35 and 50 mJ/m2, which signifies its improved wettability. The 7.03% change in hydrophilicity was observed between PMMA/H0 (75.270 ± 1.690) and PMMA/H20 (700 ± 1.440) coated samples. The increase in adhesion strength and coating thickness with the increase in HAPAg reinforcement was observed. The surface morphology of the defective zones was examined using scanning electron microscopy (SEM), and information on the elemental composition of synthesized was obtained using Inductively Coupled Plasma Mass Spectroscopy (ICPMS), Fourier Transform Infrared spectroscopy (FTIR) and X-ray diffractogram (XRD). Atomic force microscopy (AFM) reveals the surface roughness; root mean square roughness, roughness profile, skewness and kurtosis of the coated samples. The contact angle reports the hydrophilicity and SFE. Finally, the results conclude that the composite coating had a consistent distribution of HAPAg nanoparticles incorporated within the PMMA matrix. The minimal presence of Ag ions on the surface indicates the coating's potential antibacterial properties, and it is highly recommended for dental applications. [Display omitted] [ABSTRACT FROM AUTHOR]