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The prevalence of bacterial infections presents a significant challenge in the medical field, demanding effective strategies to impede bacterial adhesion and growth on various surfaces. The conducted study investigates the efficacy of polyelectrolyte multilayerscomprising poly-(allylamine hydrochloride) (PAH) and alginate (ALG)embedded with zinc oxide (ZnO) and copper oxide (CuO) nanoparticles (NPs) to inhibit bacterial adhesion on stainless-steel surfaces. Surface characterization involved zeta potential, contact angle, and roughness assessments. The effect of NP composition, size, and morphology in conjunction with polycation or polyanion terminating multilayers was evaluated against planktonic and surface-adhered Escherichia coli (E. coli) cells. Surfaces with the positively charged PAH-terminating multilayer displayed higher water contact angles (≈ 63°) than the negatively charged ALG-terminating multilayers (≈ 45°). Multilayers containing ZnO NPs showed a significant inhibition of planktonic E. coli growth, >99%. Moreover, complete growth inhibition of surface-adhered E. coli was achieved for multilayers containing both ZnO and CuO. Due to their larger specific surface area, rod-like ZnO NPs displayed higher antibacterial activity. The samples with ALG as the terminating layer showed more substantial antibacterial properties than samples with PAH as the terminating layer. Biocompatibility tests on immortalized human keratinocyte cells revealed good compatibility with multilayers incorporating NPs. In summary, this study underscores the potential of ZnO and CuO NPs within PAH/ALG multilayers for antibacterial applications without compromising their cytocompatibility. [ABSTRACT FROM AUTHOR]

TiO2 nanotubes constitute very promising nanomaterials for water decontamination by the removal of cations. We combined a range of experimental techniques from structural analyses to measurements of the properties of aqueous suspensions of nanotubes, with (i) continuous solvent modeling and (ii) quantum DFT-based simulations to assess the adsorption of Cs+ on TiO2 nanotubes and to predict the separation of metal ions. The methodology is set to be operable under realistic conditions, which, in this case, include the presence of CO2 that needs to be treated as a substantial contaminant, both in experiments and in models. The mesoscopic model, based on the Poisson–Boltzmann equation and surface adsorption equilibrium, predicts that H+ ions are the charge-determining species, while Cs+ ions are in the diffuse layer of the outer surface with a significant contribution only at high concentrations and high pH. The effect of the size of nanotubes in terms of the polydispersity and the distribution of the inner and outer radii is shown to be a third-order effect that is very small when the nanotube layer is not very thick (ranging from 1 to 2 nm). Besides, DFT-based molecular dynamics simulations demonstrate that, for protonation, the one-site and successive association assumption is correct, while, for Cs+ adsorption, the size of the cation is important and the adsorption sites should be carefully defined. [ABSTRACT FROM AUTHOR]

We present the detailed rheological changes that occur when small quantities of single-wall carbon nanotubes are dispersed in a poly(acrylic acid) water solution, around the overlap polymer concentration, up to the gel point. Here, pH is used to tune the gel formation. Suspensions of nanotubes at pH ≤ 5 are exfoliated and dispersed by the polymer. Contacts between the nanotubes are mainly through polymer entangling, and the suspension is viscoelastic. At pH > 5, the polymer is charged, and the solution is not a good solvent for the nanotubes anymore. Nanotube bundles covered with polymer are formed and mechanically percolate along the fluid until they become arrested. As a consequence, the rheological behavior is dominated by a mesoscale superstructure formed by nanotubes and polymer, where viscoelasticity is lost and the suspension becomes elastic. At pH ≥ 9, the surroundings for the nanotubes are worse, bundles and flocs grow to a larger extent, and they can be observable by scanning microscopies. When the suspension becomes a critical gel, the relaxation moduli can be modeled by a power law in the frequency domain in agreement with the model developed by Winter and co-workers. [ABSTRACT FROM AUTHOR]

TiO 2 nanotubes constitute very promising nanomaterials for water decontamination by the removal of cations. We combined a range of experimental techniques from structural analyses to measurements of the properties of aqueous suspensions of nanotubes, with (i) continuous solvent modeling and (ii) quantum DFT-based simulations to assess the adsorption of Cs + on TiO 2 nanotubes and to predict the separation of metal ions. The methodology is set to be operable under realistic conditions, which, in this case, include the presence of CO 2 that needs to be treated as a substantial contaminant, both in experiments and in models. The mesoscopic model, based on the Poisson-Boltzmann equation and surface adsorption equilibrium, predicts that H + ions are the charge-determining species, while Cs + ions are in the diffuse layer of the outer surface with a significant contribution only at high concentrations and high pH. The effect of the size of nanotubes in terms of the polydispersity and the distribution of the inner and outer radii is shown to be a third-order effect that is very small when the nanotube layer is not very thick (ranging from 1 to 2 nm). Besides, DFT-based molecular dynamics simulations demonstrate that, for protonation, the one-site and successive association assumption is correct, while, for Cs + adsorption, the size of the cation is important and the adsorption sites should be carefully defined., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

Charging of material surfaces in aqueous electrolyte solutions is one of the most important processes in the interactions between biomaterials and surrounding tissue. Other than a biomaterial, titania nanotubes (TiO 2 NTs) represent a versatile material for numerous applications such as heavy metal adsorption or photocatalysis. In this article, the surface charge properties of titania NTs in NaNO 3 solution were investigated through electrophoretic mobility and polyelectrolyte colloid titration measuring techniques. In addition, we used high-resolution transmission electron microscopy imaging to determine the morphology of TiO 2 NTs. A theoretical model based on the classical density functional theory coupled with the charge regulation method in terms of mass action law was developed to understand the experimental data and to provide insights into charge properties at different physical conditions, namely, pH and NaNO 3 concentration. Two intrinsic protonation constants and surface site density have been obtained. The electrostatic properties of the system in terms of electrostatic potentials and ion distributions were calculated and discussed for various pH values. The model can quantitatively describe the titration curve as a function of pH for higher bulk salt concentrations and the difference in the equilibrium amount of charges between the inner and outer surfaces of TiO 2 NTs. Calculated counterion (NO 3 - ) distributions show a pronounced decrease of NO 3 - ions for high bulk pH (both inside and outside TiO 2 NT) because of the strong electric field. With the decrease of bulk pH or the increase of the salt concentration, NO 3 - is able to accumulate near the TiO 2 NTs surfaces.