Predicting the Antifungal Activity of Small Organic Compounds on Mold using Molecular Dynamics Simulations.

Atomistic models of the plasma membrane of the pathogenic mold are developed. These models are described with an empirical molecular mechanical (MM) force field in combination with molecular dynamics (MD) simulations. The solvated plasma membrane models are brought into contact with 35 small organic compounds to observe their impact on a variety of membrane properties.

Interactions and effects of a stannous-containing sodium fluoride dentifrice on oral pathogens and the oral microbiome.

Numerous studies have investigated the effects of stannous ions on specific microbes and their efficacy in reducing dental plaque. Nonetheless, our understanding of their impact on the oral microbiome is still a subject of ongoing exploration. Therefore, this study sought to evaluate the effects of a stannous-containing sodium fluoride dentifrice in comparison to a zinc-containing sodium fluoride dentifrice and a control group on intact, healthy oral biofilms.

Laboratory screening evaluation of the safety of low pH oral care rinse products to dental enamel.

Purpose: To assess the hard tissue safety of a variety of low pH oral care rinses to dental enamel in a newly developed screening method.

Methods: Bovine enamel specimens were subjected to a cycling model that consisted of commercial mouthrinse product exposures and artificial saliva soaks based on a previously published screening method. The effect of test products on the surface of treated specimens was measured using surface microhardness (SMH).

A fluoride activated methylene blue releasing platform for imaging and antimicrobial photodynamic therapy of human dental plaque.

We report a F- activated methylene blue (MB) releasing platform for imaging and antimicrobial photodynamic therapy (aPDT). By utilizing this platform, one of the selected probes, FD-F3, displays a remarkable near-infrared fluorescence and absorption increase towards F- with good selectivity and low detection limit. This probe has been successfully applied for visualizing F- and performing F- activated aPDT in naturally grown human plaque biofilms.

Penetration and bactericidal efficacy of two oral care products in an oral biofilm model.

Purpose: To investigate the immediate penetration and bactericidal effect of two oral care products marketed in China on an intact natural plaque biofilm model at different time points.

Methods: Eight subjects (aged 20 to 30 years; Turesky Plaque Index Score 2 to 3) were enrolled in the study according to the inclusion criteria. Plaque accumulators were worn by the subjects for 6 and 48 hours for harvesting the dental biofilm.

Modulation of partition and localization of perfume molecules in sodium dodecyl sulfate micelles.

The influence of perfume molecules on the self-assembly of the anionic surfactant sodium dodecyl sulfate (SDS) and their localization in SDS micelles have been investigated by ζ potential, small angle X-ray scattering (SAXS), one- and two-dimensional NMR and isothermal titration microcalorimetry (ITC). A broad range of perfume molecules varying in octanol/water partition coefficients P are employed. The results indicate that the surface charge, size and aggregation number of the SDS micelles strongly depend on the hydrophobicity/hydrophilicity degree of perfume molecules.