Fabrication and Properties of the Montmorillonite/Nanobioglass Hybrid Reinforcement from Agroindustrial Waste for Bone Regeneration.

Nowadays, bone systems have a series of consequences that compromise the quality of life mainly due to wear and decreased bioactivity, generally in elderly people and children. In this context, the combination of montmorillonite (MMT-NPs) in a vitreous system such as nanobioglass facilitates the adsorption of biomolecules on the surface and within the interlamellar spaces, enabling the entry of ions by a cation exchange process focusing on increasing the rate of bone formation. This work aims to synthesize and characterize an eco-friendly hybrid reinforcement containing MMT-NPs with nanobioglass doped with magnesium nanoparticles (MgNPs-BV). In this way, MMT-NPs@MgNPs-BV was synthesized by the impregnation method, where an experimental design was used to verify the synthesis conditions. The ideal condition by experimental design was carried out in terms of the characterization and biological activity, where we demonstrated MMT-NPs of 30% w w-1, MgNPs-BV of 6% w w-1, and a calcination temperature of 1273.15 K with a cell viability around 66.87%, an average crystallite diameter of 12.5 nm, and a contact angle of 17.7°. The characterizations confirmed the impregnation method with an average particle size of 51.4 ± 13.1 nm. The mechanical tests showed a hardness of 2.6 GPa with an apparent porosity of 22.2%, similar to human bone. MMT-NPs@MgNPs-BV showed a cell proliferation of around 96% in osteoblastic cells (OFCOL II), with the formation of the apatite phase containing a relation of Ca/P of around 1.63, a biodegradability of 82%, and rapid release of ions with a Ca/P ratio of 1.42. Therefore, the eco-friendly hybrid reinforcement with MMT-NPs and MgNPs-BV shows potential for application with a matrix for biocompatible nanocomposites for bone regeneration.

Evaluation interaction of graphene oxide with heparin for antiviral blockade: a study of ab initio simulations, molecular docking, and experimental analysis.

CONTEXT: Heparin, one of the drugs reused in studies with antiviral activity, was chosen to investigate a possible blockade of the SARS-CoV-2 spike protein for viral entry through computational simulations and experimental analysis. Heparin was associated to graphene oxide to increase in the binding affinity in biological system. First, the electronic and chemical interaction between the molecules was analyzed through ab initio simulations. Later, we evaluate the biological compatibility of the nanosystems, in the target of the spike protein, through molecular docking. The results show that graphene oxide interacts with the heparin with an increase in the affinity energy with the spike protein, indicating a possible increment in the antiviral activity. Experimental analysis of synthesis and morphology of the nanostructures were carried out, indicating heparin absorption by graphene oxide, confirming the results of the first principle simulations. Experimental tests were conducted on the structure and surface of the nanomaterial, confirming the heparin aggregation on the synthesis with a size between the GO layers of 7.44 Å, indicating a C-O type bond, and exhibiting a hydrophilic surface characteristic (36.2°). METHODS: Computational simulations of the ab initio with SIESTA code, LDA approximations, and an energy shift of 0.05 eV. Molecular docking simulations were performed in the AutoDock Vina software integrated with the AMDock Tools Software using the AMBER force field. GO, GO@2.5Heparin, and GO@5Heparin were synthesized by Hummers and impregnation methods, respectively, and characterized by X-ray diffraction and surface contact angle.

Photocatalytic degradation of Rhodamine B dye by nanostructured powder systems containing nanoencapsulated curcumin or ascorbic acid and ascorbyl palmitate liposomal.

Due to inadequate treatment and incorrect management, wastewater with dyes has a great toxic potential as an environmental liability, representing a major concern. In this context, this work aims to investigate the potential application of nanostructured powdery systems (nanocapsules and liposomes) in the photodegradation of Rhodamine B (RhB) dye, under UV and visible irradiation. Curcumin nanocapsules and liposomes containing ascorbic acid and ascorbyl palmitate were prepared, characterized, and dried using the spray drying technique. The drying processes of the nanocapsule and the liposome showed yields of 88% and 62%, respectively, and, after aqueous resuspension of the dry powders, it was possible to recover the nanocapsule size (140 nm) and liposome size (160 nm). The dry powders were characterized by Fourier transform infrared spectroscopy (FTIR), N2 physisorption at 77 K, X-ray diffraction (XRD), and diffuse reflectance spectroscopy (DRS-UV). Under UV irradiation, 64.8% and 58.48% of RhB were removed with nanocapsules and liposomes, respectively. While under visible radiation, nanocapsules and liposomes were able to degrade 59.54% and 48.79% of RhB, respectively. Under the same conditions, commercial TiO2 showed degradation of 50.02% (UV) and 42.14% (visible). After 5 cycles of reuse, there was a decrease of about 5% for dry powders under UV irradiation and 7.5% under visible irradiation. Therefore, the nanostructured systems developed have potential application in heterogeneous photocatalysis for the degradation of organic pollutants, such as RhB, as they demonstrated superior photocatalytic performance to commercial catalysts (nanoencapsulated curcumin > ascorbic acid and ascorbyl palmitate liposomal > TiO2).