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Submissions from 2021

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Kynurenic acid may underlie sex-specific immune responses to COVID-19, Yuping Cai, Daniel J. Kim, Takehiro Takahashi, David I. Broadhurst, Hong Yan, Shuangge Ma, Nicholas J. W. Rattray, Arnau Casanovas-Massana, Benjamin Israelow, Jon Klein, Carolina Lucas, Tianyang Mao, Adam J. Moore, M. Catherine Muenker, Ji Eun Oh, Julio Silva, Patrick Wong, Albert I. Ko, Sajid A. Khan, Akiko Iwasaki, Caroline H. Johnson, and Yale IMPACT Research team

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Fecal sample collection methods and time of day impact microbiome composition and short chain fatty acid concentrations, Jacquelyn Jones, Stacey N. Reinke, Alishum Ali, Debra J. Palmer, and Claus T. Christophersen

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A strategy for advancing for population-based scientific discovery using the metabolome: The establishment of the metabolomics society metabolomic epidemiology task group, Jessica Lasky-Su, Rachel S. Kelly, Craig E. Wheelock, and David Broadhurst

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Detecting sex-related changes to the metabolome of a critically endangered freshwater crayfish during the mating season, Emily Lette, Quinton Burnham, Nathan Lawler, Pierre Horwitz, Mary C. Boyce, David I. Broadhurst, Rodney Duffy, and Annette Koenders

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Early and sustained Lactobacillus plantarum probiotic therapy in critical illness: The randomised, placebo-controlled, restoration of gut microflora in critical illness trial (ROCIT), Edward Litton, Matt Anstey, David Broadhurst, Andy Chapman, Andrew Currie, Janet Ferrier, Joel Gummer, Alisa Higgins, Jolene Lim, Laurens Manning, Erina Myers, Katrina Orr, Anne Marie Palermo, Andrea Paparini, Susan Pellicano, Edward Raby, Anu Rammohan, Adrian Regli, Bernhard Richter, Sam Salman, Tobias Strunk, Sharon Waterson, David Weight, Bradley Wibrow, and Fiona Wood

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Ginger and its active compounds in cancer therapy: From folk uses to nano-therapeutic applications, M. F. Mahomoodally, M. Z. Aumeeruddy, Kannan R. R. Rengasamy, S. Roshan, S. Hammad, Jessica Pandohee, Xuebo Hu, and G. Zengin

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Improvement in the prediction of neonatal hypoxic-ischemic encephalopathy with the integration of umbilical cord metabolites and current clinical makers, Daragh S. O'Boyle, Warwick B. Dunn, Donna O'Neill, Jennifer A. Kirwan, David I. Broadhurst, Boubou Hallberg, Geraldine B. Boylan, and Deirdre M. Murray

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Characterisation of sandalwood essential oils:The application of high performance thin-layer chromatography, Hayford Ofori, Dhanushka Hettiarachchi, Tomislav Sostaric, Jessica Pandohee, Heeral D. Chudasama, and Mary C. Boyce

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Risk factors for gut dysbiosis in early life, Kimberley Parkin, Claus T. Christophersen, Valerie Verhasselt, Matthew N. Cooper, and David Martino

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Searching for a technology-driven acute rheumatic fever test: The START study protocol, Anna P. Ralph, Rachel Webb, Nicole J. Moreland, Reuben McGregor, Anthony Bosco, David Broadhurst, Timo Lassmann, Timothy C. Barnett, Rym Benothman, Jennifer Yan, Bo Remenyi, Julie Bennett, Nigel Wilson, Mark Mayo, Glenn Pearson, Tobias Kollmann, and Jonathan R. Carapetis

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Association between fruit and vegetable intakes and mental health in the australian diabetes obesity and lifestyle cohort, Joanna Rees, Simone Radavelli-Bagatini, Johnny Lo, Jonathan M. Hodgson, Claus T. Christophersen, Robin M. Daly, Dianna J. Magliano, Jonathan E. Shaw, Marc Sim, Catherine P. Bondonno, Lauren C. Blekkenhorst, Joanne M. Dickson, Joshua R. Lewis, and Amanda Devine

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Data supporting development and validation of liquid chromatography tandem mass spectrometry method for the quantitative determination of bile acids in feces, Armaghan Shafaei, Joanna Rees, Claus T. Christophersen, Amanda Devine, David Broadhurst, and Mary C. Boyce

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Extraction and quantitative determination of bile acids in feces, Armaghan Shafaei, Joanna Rees, Claus T. Christophersen, Amanda Devine, David Broadhurst, and Mary C. Boyce

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Sensitive and quantitative determination of short-chain fatty acids in human serum using liquid chromatography mass spectrometry, Armaghan Shafaei, Veronica Vamathevan, Jessica Pandohee, Nathan G. Lawler, David Broadhurst, and Mary C. Boyce

Submissions from 2020

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Untargeted liquid chromatography-mass spectrometry-based metabolomics analysis of wheat grain, Hayley Abbiss, Joel P. Gummer, Michael Francki, and Robert D. Trengove

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Phenolic composition of 91 Australian apple varieties: towards understanding their health attributes, Catherine P. Bondonno, Nicola P. Bondonno, Sujata Shinde, Armaghan Shafaei, Mary C. Boyce, Ewald Swinny, Steele R. Jacob, Kevin Lacey, Richard J. Woodman, Kevin D. Croft, Michael J. Considine, and Jonathan M. Hodgson

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Pharmacokinetics and antiangiogenic studies of potassium koetjapate in rats, Seyedeh F. Jafari, Fouad Saleih R. Al-Suede, Ashwaq H.S. Yehya, Mohamed B.K. Ahamed, Armaghan Shafaei, Muhammad Asif, Yasser M. Tabana, Amin M.S.A. Majid, and Hussein M. Baharetha

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“Notame”: Workflow for non-targeted LC-MS metabolic profiling, Anton Klåvus, Marietta Kokla, Stefania Noerman, Ville M. Koistinen, Marjo Tuomainen, Iman Zarei, Topi Meuronen, Merja R. Häkkinen, Soile Rummukainen, Ambrin Farizah Babu, Taisa Sallinen, Olli Karkkainen, Jussi Paananen, David Broadhurst, Carl Brunius, Kati Hanhineva, and Hanhineva

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Migrating from partial least squares discriminant analysis to artificial neural networks: A comparison of functionally equivalent visualisation and feature contribution tools using Jupyter Notebooks, Kevin M. Mendez, David I. Broadhurst, and Stacey N. Reinke

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Dispersive SPE, an alternative to traditional SPE for extraction of 43 doping peptides from equine urine prior to LC–MS screening, Joanne Pugliese, Mary C. Boyce, Nathan G. Lawler, John Coumbaros, and Thao T. Le

Submissions from 2019

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Characterizing the plasma metabolome during 14 days of live-high, train-low simulated altitude: A metabolomic approach, Nathan G. Lawler, Chris R. Abbiss, Joel P.A Gummer, David I. Broadhurst, Andrew D. Govus, Timothy J. Fairchild, Kevin G. Thompson, Laura A. Garvican-Lewis, Christopher J. Gore, Garth L. Maker, Robert D. Trengove, and Jeremiah J. Peiffer

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Development and validation of a simple LC-MS/MS method for the simultaneous quantitative determination of trimethylamine-N-oxide and branched chain amino acids in human serum, Thao T. Le, Armaghan Shafaei, Angela Genoni, Claus Christophersen, Amanda Devine, Johnny Lo, Philippa Lyons Wall, and Mary C. Boyce

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The application of artificial neural networks in metabolomics: A historical perspective, Kevin M. Mendez, David I. Broadhurst, and Stacey N. Reinke

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Combining computational and experimental approaches to select chromophores to enable the detection of fatty acids via HPLC, Jessica Pandohee, Robert J. Rees, Michelle J. S. Spencer, Aaron Raynor, and Oliver A. H. Jones

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Simultaneous quantitative analysis of polyphenolic compounds in human plasma by liquid chromatography tandem mass spectrometry, Armaghan Shafaei, Kevin Croft, Jonathan Hodgson, and Mary C. Boyce

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The not-so-sterile womb: Evidence that the human fetus is exposed to bacteria prior to birth, Lisa F. Stinson, Mary C. Boyce, Matthew S. Payne, and Jeffrey A. Keelan

Submissions from 2018

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Characterizing the plasma metabolome during and following a maximal exercise cycling test, Faizal A. Manaf, Nathan G. Lawler, Jeremiah J. Peiffer, Garth L. Maker, Mary C. Boyce, Timothy J. Fairchild, and David Broadhurst

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OnPLS-based multi-block data integration: A multivariate approach to interrogating biological interactions in asthma, Stacey N. Reinke, Beatriz Galindo-Prieto, Tomas Skotare, David I. Broadhurst, Akul Singhania, Daniel Horowitz, Ratko Djukanović, Timothy S.C. Hinks, Paul Geladi, Johan Trygg, and Craig E. Wheelock