As ruminants are frequently affected by periodontal diseases, understanding their microbial communities is crucial. In this pilot study, we analyzed subgingival biofilm samples of young cattle across different states: clinically healthy (n=5), gingivitis (n=5), and periodontitis (n=5) using 16S rRNA gene sequencing and co-occurrence network analysis. The findings revealed that Proteobacteria was the predominant phylum across all conditions, with Fusobacteriota constituting 27.
View Article and Find Full Text PDFThe effect of conformational dynamics and solvent interactions on the second-order nonlinear optical (NLO) responses of the open and closed forms of a donor-acceptor Stenhouse adduct (DASA) are investigated by a mixed quantum/classical computational approach, which couples molecular dynamics (MD) simulations and time-dependent density functional theory (TD-DFT) calculations. The latter are further combined with various solvation schemes, including polarizable continuum models, hybrid QM/MM approaches using either non polarizable or polarizable electrostatic embedding, and QM/QM' schemes with explicit treatment of a few molecules of the first solvation shell. The performances of the different solvation models are discussed in the context of comparisons with experimental data obtained from hyper-Rayleigh scattering measurements.
View Article and Find Full Text PDFJ Bras Pneumol
December 2024
Interferons (IFNs) are cytokines involved in the immune response with a synergistic regulatory effect on the immune response. They are therapeutics for various viral and proliferative conditions, with proven safety and efficacy. Their clinical application is challenging due to the molecules' size, degradation, and pharmacokinetics.
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