Empirically establishing drug exposure records directly from untargeted metabolomics data.

Autor: Zhao HN; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Kvitne KE; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Department of Pharmacy, University of Oslo, Oslo, Norway., Brungs C; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Mohan S; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Charron-Lamoureux V; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Bittremieux W; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Department of Computer Science, University of Antwerp, Antwerp, Belgium., Tang R; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Schmid R; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Lamichhane S; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Turku Bioscience Centre, University of Turku and Åbo Akademi University, Tykistönkatu 6A, 20520 Turku, Finland., El Abiead Y; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Andalibi MS; Department of Neurosciences, University of California San Diego, La Jolla, CA, USA.; Department of Psychiatry, University of California San Diego, La Jolla, CA, USA.; HIV Neurobehavioral Research Program, University of California San Diego, La Jolla, CA, USA., Mannochio-Russo H; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Ambre M; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA., Avalon NE; Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA., Bryant M; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA., Caraballo-Rodríguez AM; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Maya MC; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA., Chin L; Department of Bioengineering, University of California San Diego, La Jolla, California, USA., Ellis RJ; Department of Neurosciences, University of California San Diego, La Jolla, CA, USA.; Department of Psychiatry, University of California San Diego, La Jolla, CA, USA., Franklin D; Department of Psychiatry, University of California San Diego, La Jolla, CA, USA., Girod S; Department of Biological Sciences, University of Alberta, Edmonton, AB T6G 2E9, Canada., Gomes PWP; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Faculty of Chemistry, Federal University of Para, Belem, PA, Brazil., Hansen L; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA., Heaton R; Department of Psychiatry, University of California San Diego, La Jolla, CA, USA., Iudicello JE; Department of Psychiatry, University of California San Diego, La Jolla, CA, USA., Jarmusch AK; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Immunity, Inflammation, and Disease Laboratory, Division of Intramural Research, National Institute of Environmental Health Sciences, National Institutes of Health, Research Triangle Park, NC, USA., Khatib L; Department of Neurosciences, University of California San Diego, La Jolla, CA, USA., Letendre S; HIV Neurobehavioral Research Program, University of California San Diego, La Jolla, CA, USA.; Department of Medicine, University of California San Diego, La Jolla, CA, USA., Magyari S; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Institute of Microbiology, Eidgenössische Technische Hochschule (ETH) Zürich, Vladimir-Prelog-Weg 4, 8093 Zürich, Switzerland., McDonald D; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA., Mohanty I; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Cumsille A; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Department of Microbiology and Cell Sciences, University of Florida, Museum Drive, Gainesville, FL, USA., Moore DJ; Department of Psychiatry, University of California San Diego, La Jolla, CA, USA.; HIV Neurobehavioral Research Program, University of California San Diego, La Jolla, CA, USA., Rajkumar P; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Ross DH; Department of Medicinal Chemistry, University of Washington, Seattle, WA, USA.; Current address: Biological Sciences Division, Pacific Northwest National Laboratory, Richland, WA, USA., Sapre H; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Shahneh MRZ; Department of Computer Science and Engineering, University of California Riverside, Riverside, CA, USA., Thomas SP; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Tribelhorn C; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA., Tubb HM; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA., Walker C; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA., Wang CX; Department of Psychiatry, University of California San Diego, La Jolla, CA, USA.; HIV Neurobehavioral Research Program, University of California San Diego, La Jolla, CA, USA., Xing S; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Zemlin J; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Center for Microbiome Innovation, University of California San Diego, La Jolla, CA, USA., Zuffa S; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Wishart DS; Department of Bioengineering, University of California San Diego, La Jolla, California, USA.; Department of Computing Science, University of Alberta, Edmonton, AB T6G 2E8, Canada., Kaddurah-Daouk R; Department of Psychiatry and Behavioral Sciences, Duke University, Durham, NC, 27708, USA.; Duke Institute of Brain Sciences, Duke University, Durham, NC, USA.; Department of Medicine, Duke University, Durham, NC, USA., Wang M; Department of Computer Science and Engineering, University of California Riverside, Riverside, CA, USA., Raffatellu M; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA.; Center for Microbiome Innovation, University of California San Diego, La Jolla, CA, USA.; Chiba University, UC San Diego Center for Mucosal Immunology, Allergy, and Vaccines (CU-UCSD cMAV), La Jolla, CA, USA., Zengler K; Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA, USA.; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA.; Center for Microbiome Innovation, University of California San Diego, La Jolla, CA, USA.; Program in Materials Science and Engineering, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0418, USA., Pluskal T; Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Prague, Czech Republic., Xu L; Department of Medicinal Chemistry, University of Washington, Seattle, WA, USA., Knight R; Department of Pediatrics, University of California San Diego, La Jolla, CA, USA.; Center for Microbiome Innovation, University of California San Diego, La Jolla, CA, USA.; Department of Computer Science and Engineering, University of California San Diego, La Jolla, CA, USA.; Shu Chien-Gene Lay Department of Bioengineering, University of California San Diego, La Jolla, CA, USA.; Halicioğlu Data Science Institute, University of California San Diego, La Jolla, CA, USA., Tsunoda SM; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Dorrestein PC; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA.; Center for Microbiome Innovation, University of California San Diego, La Jolla, CA, USA.

Publikováno v: BioRxiv : the preprint server for biology [bioRxiv] 2024 Oct 26. Date of Electronic Publication: 2024 Oct 26.

Introducing 'identification probability' for automated and transferable assessment of metabolite identification confidence in metabolomics and related studies.

Autor: Metz TO; Biological Sciences Division, Pacific Northwest National Laboratory, Richland, WA USA., Chang CH; Biological Sciences Division, Pacific Northwest National Laboratory, Richland, WA USA., Gautam V; Department of Biological Sciences, University of Alberta, Edmonton, AB, Canada., Anjum A; Department of Biological Sciences, University of Alberta, Edmonton, AB, Canada., Tian S; Department of Biological Sciences, University of Alberta, Edmonton, AB, Canada., Wang F; Department of Computing Science, University of Alberta, Edmonton, AB, Canada.; Alberta Machine Intelligence Institute, Edmonton, AB, Canada., Colby SM; Biological Sciences Division, Pacific Northwest National Laboratory, Richland, WA USA., Nunez JR; Biological Sciences Division, Pacific Northwest National Laboratory, Richland, WA USA., Blumer MR; Biological Sciences Division, Pacific Northwest National Laboratory, Richland, WA USA., Edison AS; Department of Biochemistry & Molecular Biology, Complex Carbohydrate Research Center and Institute of Bioinformatics, University of Georgia, Athens, GA, USA., Fiehn O; West Coast Metabolomics Center, University of California Davis, Davis, CA, USA., Jones DP; Clinical Biomarkers Laboratory, Department of Medicine, Emory University, Atlanta, Georgia, USA., Li S; The Jackson Laboratory for Genomic Medicine, Farmington, CT, USA., Morgan ET; Department of Pharmacology and Chemical Biology, Emory University School of Medicine, Atlanta, Georgia, USA., Patti GJ; Center for Mass Spectrometry and Metabolic Tracing, Department of Chemistry, Department of Medicine, Washington University, Saint Louis, Missouri, USA., Ross DH; Biological Sciences Division, Pacific Northwest National Laboratory, Richland, WA USA., Shapiro MR; Artificial Intelligence & Data Analytics Division, Pacific Northwest National Laboratory, Richland, WA USA., Williams AJ; U.S. Environmental Protection Agency, Office of Research & Development, Center for Computational Toxicology & Exposure (CCTE), Research Triangle Park, NC USA., Wishart DS; Department of Biological Sciences, University of Alberta, Edmonton, AB, Canada.

Publikováno v: BioRxiv : the preprint server for biology [bioRxiv] 2024 Jul 31. Date of Electronic Publication: 2024 Jul 31.

Prevalence of trauma history and symptoms in patients who have received vaginal brachytherapy as part of their endometrial cancer treatment.

Autor: Saripalli AL; Department of Radiation Oncology, Stritch School of Medicine, Cardinal Bernardin Cancer Center, Loyola University Chicago, Maywood, IL 60153, USA., Ross DH; Department of Radiation Oncology, Stritch School of Medicine, Cardinal Bernardin Cancer Center, Loyola University Chicago, Maywood, IL 60153, USA., Murphy E; Department of Psychiatry and Behavioral Neurosciences, Stritch School of Medicine, Cardinal Bernardin Cancer Center, Loyola University Chicago, Maywood, IL 60153, USA., Gomez K; Biostatistics Collaborative Core, Clinical Research Office, Center for Translational Research and Education, Stritch School of Medicine, Loyola University Chicago, Maywood, IL 60153, USA., Thilges S; Department of Psychiatry and Behavioral Neurosciences, Stritch School of Medicine, Cardinal Bernardin Cancer Center, Loyola University Chicago, Maywood, IL 60153, USA., Harkenrider MM; Department of Radiation Oncology, Stritch School of Medicine, Cardinal Bernardin Cancer Center, Loyola University Chicago, Maywood, IL 60153, USA. Electronic address: mharkenrider@lumc.edu.

Publikováno v: Gynecologic oncology [Gynecol Oncol] 2024 Jun; Vol. 185, pp. 68-74. Date of Electronic Publication: 2024 Feb 17.

Development and Application of a Multidimensional Database for the Detection of Quaternary Ammonium Compounds and Their Phase I Hepatic Metabolites in Humans.

Autor: Nguyen R; Department of Medicinal Chemistry, University of Washington, Seattle, Washington 98195, United States., Seguin RP; Department of Medicinal Chemistry, University of Washington, Seattle, Washington 98195, United States., Ross DH; Department of Medicinal Chemistry, University of Washington, Seattle, Washington 98195, United States., Chen P; Department of Medicinal Chemistry, University of Washington, Seattle, Washington 98195, United States., Richardson S; Department of Mathematics, University of Washington, Seattle, Washington 98195, United States., Liem J; Department of Pharmaceutics, University of Washington, Seattle, Washington 98195, United States., Lin YS; Department of Pharmaceutics, University of Washington, Seattle, Washington 98195, United States., Xu L; Department of Medicinal Chemistry, University of Washington, Seattle, Washington 98195, United States.

Publikováno v: Environmental science & technology [Environ Sci Technol] 2024 Apr 09; Vol. 58 (14), pp. 6236-6249. Date of Electronic Publication: 2024 Mar 27.

Elucidating the impact of bacterial lipases, human serum albumin, and FASII inhibition on the utilization of exogenous fatty acids by Staphylococcus aureus .

Autor: Pruitt EL; Department of Chemistry, University of Washington, Seattle, Washington, USA., Zhang R; Department of Medicinal Chemistry, University of Washington, Seattle, Washington, USA., Ross DH; Department of Medicinal Chemistry, University of Washington, Seattle, Washington, USA., Ashford NK; Department of Pharmacy, University of Washington, Seattle, Washington, USA., Chen X; Department of Microbiology and Immunology, Loyola University Chicago-Stritch School of Medicine, Maywood, Illinois, USA., Alonzo F 3rd; Department of Microbiology and Immunology, Loyola University Chicago-Stritch School of Medicine, Maywood, Illinois, USA., Bush MF; Department of Chemistry, University of Washington, Seattle, Washington, USA., Werth BJ; Department of Pharmacy, University of Washington, Seattle, Washington, USA., Xu L; Department of Medicinal Chemistry, University of Washington, Seattle, Washington, USA.

Publikováno v: MSphere [mSphere] 2023 Dec 20; Vol. 8 (6), pp. e0036823. Date of Electronic Publication: 2023 Nov 28.