Several computational methods have been proposed to assess the quality of tandem mass spectra. These methods range from supervised to unsupervised algorithms, discriminative to generative models. Unsupervised learning algorithms for tandem mass spectra are not probabilistic model based and they don't provide probabilities for spectra quality assessment. In this study, the distribution of high quality spectra and poor quality spectra are modeled by a mixture of Gaussian distributions. The Expectation Maximization (EM) algorithm is used to estimate the parameters of the Gaussian mixture model. A spectrum is assigned to the high quality or poor quality cluster according to its posterior probability. Experiments are conducted on two datasets: ISB and TOV. The results show about 57.64% and 66.38% of poor quality spectra can be removed without losing more than 10% of high quality spectra for the two spectral datasets, respectively. This indicates clustering as an exploratory data analysis tool is valuable for the quality assessment of tandem mass spectra without using a pre-labeled training dataset.
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http://dx.doi.org/10.1109/IEMBS.2009.5332499 | DOI Listing |
J Ethnopharmacol
January 2025
Department of Pharmacology of Chinese Materia Medica, Institution of Chinese Integrative Medicine, Hebei Medical University, Research Unit of Digestive Tract Microecosystem Pharmacology and Toxicology, Chinese Academy of Medical Sciences, The Key Laboratory of Neural and Vascular Biology, Ministry of Education, Shijiazhuang, Hebei Province 050017, China.
Ethnopharmacological Relevance: Cepharanthine (CEP) is an alkaloid extracted from Stephania cephalantha Hayata, a traditional Chinese medicine (TCM) renowned for its heatclearing and dehumidifying properties. For centuries, Stephania cephalantha Hayata has been employed in the treatment of a wide range of diseases, including pain, edema, inflammation, and fever.
Aim Of The Study: Our research aims to investigate the role and mechanism of Cepharanthine in ameliorating uric acid (UA) induced neuroinflammatory responses.
J Adv Res
January 2025
Cancer Institute, Xuzhou Medical University, 209 Tongshan Road, Xuzhou 221004 Jiangsu, China; Center of Clinical Oncology, The Afliated Hospital of Xuzhou Medical University, 99 West Huaihai Road, Xuzhou 221002 Jiangsu, China; Jiangsu Center for the Collaboration and Innovation of Cancer Biotherapy, Xuzhou Medical University, 209 Tongshan Road, Xuzhou 221004 Jiangsu, China. Electronic address:
Introduction: Hypericin (HP), a natural photosensitizer, has demonstrated great efficacy in photodynamic therapy (PDT) for cancer treatment. In addition to the induction of apoptosis and necrosis through reactive oxygen species (ROS) generation, the therapeutic mechanisms and targets of PDT-HP remain unknown.
Objectives: To investigate the direct targets and mechanisms of action of photoactivated hypericin in the inhibition of triple-negative breast cancer (TNBC).
Clin Transl Sci
February 2025
Department of Pharmacotherapy and Translational Research and Center for Pharmacogenomics and Precision Medicine, University of Florida College of Pharmacy, Gainesville, Florida, USA.
Tramadol, the 41st most prescribed drug in the United States in 2021 is a prodrug activated by CYP2D6, which is highly polymorphic. Previous studies showed enzyme-inhibitor affinity varied between different CYP2D6 allelic variants with dextromethorphan and atomoxetine metabolism. However, no study has compared tramadol metabolism in different CYP2D6 alleles with different CYP2D6 inhibitors.
View Article and Find Full Text PDFIntroduction: Adverse exposures in utero might cause adaptations of cardiovascular and metabolic organ development, predisposing individuals to an adverse cardio-metabolic risk profile from childhood onwards. We hypothesized that adaptations in metabolic pathways underlie these associations and examined associations of metabolite profiles at birth with childhood cardio-metabolic risk factors.
Methods: The study included 763 mother-child pairs participating in an ongoing population-based prospective cohort study with an overall low disease risk.
Kidney360
November 2024
The Departments of Medicine, Veterans Affairs Palo Alto Healthcare System and Stanford University, Palo Alto, CA, USA 94304.
Background: Hemodialysis may excessively remove valuable solutes. Untargeted metabolomics data from a prior study suggested that ergothioneine was depleted in the plasma of hemodialysis subjects. Ergothioneine is a dietary-derived solute with antioxidant properties.
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