Rice husk is an abundant waste at the Rio Grande do Sul, Brazil, and it can be used to produce pure silicon dioxide, which is the main component of bioglass-ceramics. The addition of compounds, such as SrO, can improve the biocompatibility of these biomaterials. Therefore, the goal of this paper was to use rice husk silicon dioxide as a cheap precursor to obtaining bioglass-ceramics of the system 50%SiO2-25%Na2O-(25-x)%CaO-x%SrO (mol%) by sol-gel and investigate its potential use as a biomaterial. Two samples (BGC blank and BGC-5%Sr) were synthesized and characterized by X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and elemental carbon analysis by the combustion method. Scanning electron microscopy (SEM) was used to investigate the morphology of the bioglass-ceramics, while MTT assay of cell viability was used for in vitro characterization. The obtained silicon dioxide was amorphous and presented a small carbon content. Also, the bioglass-ceramics showed main phases with Si, Ca, Na, and Sr on their structure. Both samples were not cytotoxic against peripheral blood mononuclear cells (PBMC), and the incorporation of 5% SrO improved biocompatibility.
The present chapter aims to overview the application of silver nanoparticles (AgNPs) in photocatalysis and biomedical field. Firstly, the relevance of AgNPs will be addressed. Then, the discussion about the photocatalytic activity of the AgNPs (either in suspension or impregnation), and correlation with your properties and its potential application to organic pollutants degradation under UV and visible/solar radiation will be described. Thus, applications of the AgNPs as antimicrobial agents, such as Escherichia coli, Schizophyllum commune, Staphylococcus aureus, Pseudomonas aeruginosa, Klebsiella pneumoniae, Haemophilus influenzae, Bacillus subtilis, Bacillus cereus and Enterobactor faecalis, and in the development of biosensors will be discussed. Therefore, the present work will be important to contextualize different scenarios to AgNPs mainly to wastewater treatment and diagnosis/therapeutic applications.
The SARS-CoV-2 virus has been responsible for a global pandemic which caused millions of deaths. Still, novel antiviral agents have been investigated against SARS-CoV-2. In this view, molecular docking simulations could be used for evaluating possible antiviral agents to be tested in further experimental runs. Hence, the aim of this research was to evaluate the interaction of dihydromyricetin DHM against Spike glycoproteins of pristine SARS-CoV-2 and its Delta and Omicron variants through molecular docking simulations. To validate such results, the same docking protocol was applied to a control structure (galangin, a major component of propolis extract) which was already able to interact with spike glycoprotein of SARS-CoV-2 both in silico and in vitro. Regarding the interaction of DHM/Spike glycoprotein, DHM presented higher spontaneity in binding to Delta (∆G = -8.9 kcal.mol -1 ) and Omicron (∆G = -7.4 kcal.mol -1 ) variants than SARS-CoV-2 (∆G = -5.7 kcal.mol -1 ). Furthermore, DHM/spike glycoprotein interactions for Delta and Omicron variants presented higher similarity to galangin/spike glycoprotein interaction (based on the aminoacid residues involved with the interactions with the polar/non-polar contacts), indicating that DHM and galangin could bind similarly to SARS-CoV-2 variants in the in vitro standpoint. Thus, it is suggested that DHM may be tested as a potential antiviral agent against SARS-CoV-2 through experimental runs.
Chronic wounds are a big challenge in contemporary society, as they lead to a decrease in life-quality, amputations and even death. Infections and biofilm formation might occur with chronic wounds, due to the higher susceptibility to antibiotic multi-resistant bacteria. In this situation, novel wound dressing biomaterials are needed for treatment. Thus, the aim of this research was to evaluate a possible BNC interaction with tucumã oil/butter-derived fatty acids, as this system could be a promising biomaterial for wound treating. The interaction between cellobiose (BNC basic unit) and four fatty acids was evaluated by ab initio simulations and density functional theory (DFT), through SIESTA code. Molecular docking was also used to investigate the effect of a possible releasing of the studied fatty acids to the quorum-sensing proteins of Pseudomonas aeruginosa (gram-negative bacterium) and Staphylococcus aureus (gram-positive bacterium). According to ab initio simulations, the interaction between cellobiose and fatty acids derived from tucumã oil/butter was suggested due to physical adsorption (energy around 0.17-1.33 eV) of the lipidic structures into cellobiose. A great binding affinity (∆G ranging from 4.2-8.2 kcal.mol-1) was observed for both protonated and deprotonated fatty acids against P. aeruginosa (LasI, LasA and Rhlr) and S. aureus (ArgA and ArgC) quorum-sensing proteins, indicating that these bioactive compounds might act as potential antimicrobial and/or antibiofilm agents in the proposed system. Hence, from a theoretical viewpoint, the proposed system could be a promising raw biomaterial in the production of chronic wound dressings.
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