Enhancing untargeted metabolomics using metadata-based source annotation

Autor: Julia M. Gauglitz, Kiana A. West, Wout Bittremieux, Candace L. Williams, Kelly C. Weldon, Morgan Panitchpakdi, Francesca Di Ottavio, Christine M. Aceves, Elizabeth Brown, Nicole C. Sikora, Alan K. Jarmusch, Cameron Martino, Anupriya Tripathi, Michael J. Meehan, Kathleen Dorrestein, Justin P. Shaffer, Roxana Coras, Fernando Vargas, Lindsay DeRight Goldasich, Tara Schwartz, MacKenzie Bryant, Gregory Humphrey, Abigail J. Johnson, Katharina Spengler, Pedro Belda-Ferre, Edgar Diaz, Daniel McDonald, Qiyun Zhu, Emmanuel O. Elijah, Mingxun Wang, Clarisse Marotz, Kate E. Sprecher, Daniela Vargas-Robles, Dana Withrow, Gail Ackermann, Lourdes Herrera, Barry J. Bradford, Lucas Maciel Mauriz Marques, Juliano Geraldo Amaral, Rodrigo Moreira Silva, Flavio Protasio Veras, Thiago Mattar Cunha, Rene Donizeti Ribeiro Oliveira, Paulo Louzada-Junior, Robert H. Mills, Paulina K. Piotrowski, Stephanie L. Servetas, Sandra M. Da Silva, Christina M. Jones, Nancy J. Lin, Katrice A. Lippa, Scott A. Jackson, Rima Kaddurah Daouk, Douglas Galasko, Parambir S. Dulai, Tatyana I. Kalashnikova, Curt Wittenberg, Robert Terkeltaub, Megan M. Doty, Jae H. Kim, Kyung E. Rhee, Julia Beauchamp-Walters, Kenneth P. Wright, Maria Gloria Dominguez-Bello, Mark Manary, Michelli F. Oliveira, Brigid S. Boland, Norberto Peporine Lopes, Monica Guma, Austin D. Swafford, Rachel J. Dutton, Rob Knight, Pieter C. Dorrestein

Publikováno v: Nature biotechnology, vol 40, iss 12
Nat Biotechnol

Human untargeted metabolomics studies annotate only ~10% of molecular features. We introduce reference-data-driven analysis to match metabolomics tandem mass spectrometry (MS/MS) data against metadata-annotated source data as a pseudo-MS/MS reference

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fadcc5a8ebaed4c919d942163887bc61
https://doi.org/10.1038/s41587-022-01368-1

Forensic tracers of exposure to produced water in freshwater mussels: a preliminary assessment of Ba, Sr, and cyclic hydrocarbons

Autor: Nathaniel R. Warner, Paulina K. Piotrowski, Bonnie McDevitt, David P. Gillikin, Frank L. Dorman, Travis L. Tasker, Thomas J. Geeza

Publikováno v: Scientific Reports, Vol 10, Iss 1, Pp 1-12 (2020)
Scientific Reports

Hydraulic fracturing is often criticized due in part to the potential degradation of ground and surface water quality by high-salinity produced water generated during well stimulation and production. This preliminary study evaluated the response of t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b747dbadcdff94691413f6d3f0fcc59
https://doi.org/10.1038/s41598-020-72014-6

Workshop report: Toward the development of a human whole stool reference material for metabolomic and metagenomic gut microbiome measurements

Autor: Scott A. Jackson, Paulina K. Piotrowski, Christina M. Jones, Raul Cano, Rupasri Mandal, Marie E. Latulippe, Katrice A. Lippa, Nancy J. Lin, David S. Wishart, Sandra M. Da Silva, Kelly S. Swanson, David Hayashi, Johanna W. Lampe, Cindy D. Davis

Publikováno v: Metabolomics

Introduction To date, there has been little effort to develop standards for metabolome-based gut microbiome measurements despite the significant efforts toward standard development for DNA-based microbiome measurements. Objectives The National Instit

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::83467b5c4145caf27bb37e9176dfecb9
https://pubmed.ncbi.nlm.nih.gov/33164148

Environmental and Human Health Impacts of Spreading Oil and Gas Wastewater on Roads

Autor: J.P. Vanden Heuvel, William D. Burgos, Perrine L. M. Delompré, Tamzin A. Blewett, Audrey M. Stallworth, Paulina K. Piotrowski, L. B. Fowler, Travis L. Tasker, Frank L. Dorman, K. B. Ganow, Greg G. Goss, L.E. Castillo-Meza, Nathaniel R. Warner

Publikováno v: Environmental Science & Technology. 52:7081-7091

Thirteen states in the United States allow the spreading of OG wastewaters on roads for deicing or dust suppression. In this study, the potential environmental and human health impacts of this practice are evaluated. Analyses of OG wastewaters spread

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a2448972ee90bcbb2ca9b6fd2ab0033
https://doi.org/10.1021/acs.est.8b00716

Comparison of Pre-Processing and Variable Selection Strategies in Group-Based GC×GC-TOFMS Analysis

Autor: Paulina K. Piotrowski, Benjamin Place

Publikováno v: Separations, Vol 6, Iss 3, p 41 (2019)

Chemometric analysis of comprehensive two-dimensional chromatography coupled to time-of-flight mass spectrometry (GC×GC-TOFMS) data has been reported with various workflows, yet little effort has been devoted to evaluating the impacts of workflow va

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a145bffcd864f5cdc635a5ea7e6102b6
https://doi.org/10.3390/separations6030041