Automated Recommendation of Research Keywords from PubMed That Suggest the Molecular Mechanism Associated with Biomarker Metabolites.

Metabolomics can help identify candidate biomarker metabolites whose levels are altered in response to disease development or drug administration. However, assessment of the underlying molecular mechanism is challenging considering it depends on the researcher's knowledge. This study reports a novel method for the automated recommendation of keywords known in the literature that may be overlooked by researchers. The proposed method aided in the identification of Medical Subject Headings (MeSH) terms in PubMed using MeSH co-occurrence data. The intended users are biocurators who have identified specific biomarker metabolites from a metabolomics study and would like to identify literature-reported molecular mechanisms that are associated with both the metabolite and their research area of interest. The proposed method finds MeSH terms that co-occur with a MeSH term of the candidate biomarker metabolite as well as a MeSH term of a researcher's known keyword, such as the name of a disease. The connectivity score S was determined using association analysis. Pilot analyses demonstrated that, while the biological significance of the obtained MeSH terms could not be guaranteed, the developed method can be useful for finding keywords to further investigate molecular mechanisms in association with candidate biomarker molecules.

Fake metabolomics chromatogram generation for facilitating deep learning of peak-picking neural networks.

Finding peaks in chromatograms and determining their start and end points (peak picking) is a core task in chromatography based biotechnology. Construction of peak-picking neural networks by deep learning was, however, hampered from the preparation of exact peak-picked or "labeled" chromatograms since the exact start and end points were often unclear in overlapping peaks in real chromatograms. We present a design of a fake chromatogram generator, along with a method for deep learning of peak-picking neural networks. Fake chromatograms were generated by generation of fake peaks, random sampling of peak positions from feature distributions, and merging with real blank sample chromatograms. Information on the exact start and end points, as labeled on the fake chromatograms, were effective for training and evaluating peak-picking neural networks. The peak-picking neural networks constructed herein outperformed conventional peak-picking software and showed comparable performance with that of experienced operators for processing the widely targeted metabolome data. Results of this study indicate that generation of fake chromatograms would be crucial for developing peak-picking neural networks and a key technology for further improvement of peak picking neural networks.

Relationship between Cariogenic Bacteria and pH of Dental Plaque at Margin of Fixed Prostheses.

Objective. The purpose of this study was to investigate whether teeth that have undergone prosthetic restoration are under conditions that promote caries recurrence. Methods. The subjects were 20 dentate adults with both a healthy tooth and an affected tooth entirely covered with a complete cast crown in the molar regions of the same arch. The pH was measured in plaque adhering to the margin of the tooth covered with a complete cast crown and adhering to the cervicobuccal area of the natural tooth. In addition, the numbers of cariogenic bacteria (mutans streptococci and lactobacilli) were measured employing the saliva test. The relationships between the number of cariogenic bacteria and plaque pH of the natural tooth and between the number of cariogenic bacteria and plaque pH of the tooth covered with a complete cast crown were investigated. Results. The plaque pH of the tooth covered with a complete cast crown decreased as the numbers of SM and LB increased. The natural tooth were also influenced by the number of SM. Conclusion. Secondary caries are likely to develop from the marginal region of the crown in the oral cavity with a high caries risk unless a preventive program is prepared and the oral environment is improved following the program.