Combined charge and hydrophobicity-guided screening of antibacterial peptides: two-level approach to predict antibacterial activity and efficacy.

Antibacterial peptides can be a potential game changer in the fight against antibiotic resistance. In order for these peptides to become successful antibiotic alternatives, it is essential that they possess high efficacy in addition to just being antibacterial. In this study, we have developed a two-level SVM-based binary classification approach to predict the antibacterial activity of a given peptide (model 1) and thereafter classify its antibacterial efficacy as high/low (model 2) with respect to minimum inhibitory concentration (MIC) values against Staphylococcus aureus, one of the most common pathogens. Based on charge and hydrophobicity of amino acids, we developed a sequence-based combined charge and hydrophobicity-guided triad (CHT) as a new method for obtaining features of any peptide. Model 1 with a combination of CHT and amino acid composition (AAC) as the feature representation method resulted in the highest accuracy of 96.7%. Model 2 with CHT as the feature representation method yielded the highest accuracy of 70.9%. Thus, CHT is found to be a potential feature representation method for classifying antibacterial peptides based on both activity and efficacy. Furthermore, we have also used an explainable machine learning algorithm to extract various insights from these models. These insights are found to be in excellent agreement with experimental findings reported in the literature, thus enhancing the dependability of the proposed models.

Emerging pharmaceutical and organic contaminants removal using carbonaceous waste from oil refineries.

The occurrence of emerging organic contaminants (EOCs) such as chemicals in personal care products, pharmaceuticals, plasticizers, etc. in surface waters is a growing global concern. The discharge of most EOCs is not regulated, and EOCs have been shown to be toxic to both human and aquatic life even at low concentrations. In this work, acid-leached carbon black waste (LCBW), a carbonaceous residue from petroleum refineries, was investigated as a potential waste-derived adsorbent for the removal of EOCs. Ciprofloxacin hydrochloride, (CIPRO, antibiotic), sulfamethoxazole (SULFA, antibiotic), acetaminophen (ACET, pharmaceutical), bisphenol A (BPA, plasticizer) and N,N-diethyl-3-methylbenzamide (DEET, insect repellent) were chosen as the target EOCs owing to their presence in relatively high concentrations in surface waters as well as in the influent and effluent of wastewater treatment plants. LCBW, with a specific surface area of 409 m2/g, demonstrated 90-99% removal of 10 ppm CIPRO, BPA, and ACET and 70-80% removal of 10 ppm SULFA and DEET in tap water. Adsorption was rapid, particularly for CIPRO, BPA, and ACET, wherein >85% of the adsorption occurred within 1 h of contact time. To illustrate the potential of LCBW as an adsorbent in different physical forms, ∼3 mm spherical beads of LCBW encapsulated within carboxymethyl cellulose matrix were prepared by a facile ionic gelation method and their adsorption performance was demonstrated.

Antimicrobial Copper-Based Materials and Coatings: Potential Multifaceted Biomedical Applications.

Surface contamination by microbes leads to several detrimental consequences like hospital- and device-associated infections. One measure to inhibit surface contamination is to confer the surfaces with antimicrobial properties. Copper's antimicrobial properties have been known since ancient times, and the recent resurgence in exploiting copper for application as antimicrobial materials or coatings is motivated by the growing concern about antibiotic resistance and the pressure to reduce antibiotic use. Copper, unlike silver, demonstrates rapid and high microbicidal efficacy against pathogens that are in close contact under ambient indoor conditions, which enhances its range of applicability. This review highlights the mechanisms behind copper's potent antimicrobial property, the design and fabrication of different copper-based antimicrobial materials and coatings comprising metallic copper/copper alloys, copper nanoparticles or ions, and their potential for practical applications. Finally, as the antimicrobial coatings market is expected to grow, we offer our perspectives on the implications of increased copper release into the environment and the potential ecotoxicity effects and possibility of development of resistant genes in pathogens.

Transparent Copper-Based Antibacterial Coatings with Enhanced Efficacy against Pseudomonas aeruginosa.

Bacterial surface contamination is a major cause of hospital-associated infections. Antibacterial coatings can play an important role in reducing bacterial transmission via inanimate surfaces in healthcare settings. In this work, transparent copper-based antibacterial coatings were fabricated on commercial poly(vinyl fluoride) and stainless steel. Acrylated quaternized chitosan and ethylenediaminetetraacetic acid were covalently grafted on the substrate for complexation with copper ions. The number of viable Staphylococcus aureus in a droplet [containing ∼104 colony forming units (CFU)], deposited on the copper-containing coating decreased by ∼96% within 60 min at 25 °C. With Pseudomonas aeruginosa, one of the most virulent and hardest to kill bacteria, no CFU could be observed within the same time span (killing efficacy >99.8% based on the detection limit). An increase in copper release from the coating was observed in the presence of P. aeruginosa, which was postulated to be due to the proteolytic activity of P. aeruginosa. The higher efficacy of the coating against P. aeruginosa compared to S. aureus is thus attributed to this increased copper release from the coating, which resulted in extensive bacterial membrane damage and death. The copper-containing coating on poly(vinyl fluoride) retained its antibacterial efficacy after 100 wipes with a water-wetted cloth or isopropanol wipes, demonstrating its durability and long-term efficacy. The coating did not exhibit significant cytotoxicity toward mammalian fibroblasts, further demonstrating its potential for mitigating bacterial transmission in a clinical setting.

Transparent Copper-Loaded Chitosan/Silica Antibacterial Coatings with Long-Term Efficacy.

Bacteria-contaminated inanimate surfaces within hospitals and clinics result in transmission of pathogens via direct or indirect contact, leading to increased risk of healthcare-associated infections (HAI). The use of antibacterial coatings is a potential way of reducing the bacterial burden, but many surfaces such as instrument panels and monitors necessitate the coatings to be transparent while being highly antibacterial. In this work, silica nanoparticles (SiO2 NPs) were first grown over a layer of acrylated quaternized chitosan (AQCS) covalently immobilized on commercially available transparent poly(vinyl fluoride) (PVF) films. The SiO2 NPs then served as nanoreservoirs for adsorption of copper ions. The coated PVF films were transparent and reduced viable bacterial count by ∼99% and 100%, when incubated with a bacteria-loaded droplet for 60 and 120 min, respectively. The killing efficacy of these coatings, after wiping 100 times, with a deionized water-wetted cloth was reduced slightly to 97-98%. The stability of these coatings can be further improved with the deposition of another layer of cationic quaternized chitosan (QCS) over the negatively charged SiO2 NP layer, wherein the coatings maintained ∼99% killing efficacy even after 100 wipes. These coatings showed no significant toxicity to mammalian cells and, hence, can potentially be used in a clinical setting for reducing HAI.

Thiol-ol Chemistry for Grafting of Natural Polymers to Form Highly Stable and Efficacious Antibacterial Coatings.

Bacterial contamination of surfaces and the associated infection risk is a significant threat to human health. Some natural antibacterial polymers with low toxicity are promising coating materials for alleviating pathogenic colonization on surfaces. However, widespread application of these polymers as antibacterial coatings is constrained by coating techniques which are not easily scalable due to stringent reaction conditions. Herein, thiol-ol reaction involving oxidative conjugation between thiol and hydroxyl groups is demonstrated as a facile technique to graft two natural polymer derivatives, agarose (AG) and quaternized chitosan (QCS), as antibacterial coatings on polymer and metal substrates. The substrate surfaces are first treated with oxygen plasma followed by UV-induced grafting of the polymers under atmospheric conditions. Dimercaprol, a FDA-approved drug, is used as both surface anchor and cross-linker of the polymer chains during grafting. The AG coating achieves >2 log reduction in Pseudomonas aeruginosa and Staphylococcus aureus biofilm formation, while the QCS coating reduces bacterial count from contaminated droplets on its surface by >95%. The coatings are noncytotoxic and exhibits a high degree of stability under conditions expected in their potential applications as antibacterial coating for biomedical devices (for AG), and for preventing pathogen transmission in the environment (for QCS).