Wishart Node of The Metabolomics Innovation Centre
Research Publications
Publication Policy
Listed below are recent publications written or co-written by Dr. Wishart or someone on the Wishart Node team.
Publications, posters, or oral presentations resulting from work performed by The Wishart Node of The Metabolomics Innovation Centre should acknowledge the Node, TMIC and/or the Researcher(s). We may use this information to apply for additional funding to keep our Lab operational and to continue to offer budget-friendly metabolomics analysis. Please keep us informed if you quote our work or use one of the papers for your own research. Search publications by topic or keyword.
Health and Nutrition
2022
Systemic inflammation and metabolic disturbances underlie inpatient mortality among ill children with severe malnutrition
LeVatte M, Keshteli AH, Zarei P, Wishart DS. 2022;15(1):1-9. doi: 10.1159/000518489. Epub 2021 Sep 8. PMID: 34518463.
- The impact of methodological choices when developing predictive models using urinary metabolite data
Nicolas Krstic, Kevin Multani, DavidS. Wishart, tom Blydt-Hansen, Gabriela V. Cohen Freue
Urinary metabolomics to develop predictors for pediatric acute kidney injury
Tian S, Cao X, Greiner R, Li C, Guo A, Wishart DS. J Chem Inf Model. 2021 Jun 28;61(6):3128-3140. doi: 10.1021/acs.jcim.1c00144. Epub 2021 May 26. PMID: 34038112.
2021
- Applications of metabolomics to precision nutrition.
LeVatte M, Keshteli AH, Zarei P, Wishart DS. 2022;15(1):1-9. doi: 10.1159/000518489. Epub 2021 Sep 8. PMID: 34518463.
2020
- CyProduct: A software tool for accurately predicting the byproducts of human cytochrome P450 metabolism
Tian S, Cao X, Greiner R, Li C, Guo A, Wishart DS. J Chem Inf Model. 2021 Jun 28;61(6):3128-3140. doi: 10.1021/acs.jcim.1c00144. Epub 2021 May 26. PMID: 34038112.
- Exploring biological impacts of prenatal nutrition and selection for residual feed intake on beef cattle using omics technologies: A review.
Foroutan A, Wishart DS, Fitzsimmons C. Front Genet. 2021 Nov 1;12:720268. doi: 10.3389/fgene.2021.720268. PMID: 34790219; PMCID: PMC8592258.
- HMDB 5.0: the human metabolome database for 2022.
Nucleic Acids Research
- Metabolomics in exercise and sports: A systematic review.
Khoramipour K, Sandbakk Ø, Keshteli AH, Gaeini AA, Wishart DS, Chamari K. Sports Med. 2021 Oct 30. doi: 10.1007/s40279-021-01582-y. Epub ahead of print. PMID: 34716906.
- Neural crest-specific loss of Bmp7 leads to midfacial hypoplasia, nasal airway obstruction and disordered breathing, modeling obstructive sleep apnea.
Baddam P, Biancardi V, Roth DM, Eaton F, Thereza-Bussolaro C, Mandal R, Wishart DS, Barr A, MacLean J, Flores-Mir C, Pagliardini S, Graf D. Dis Model Mech. 2021 Jan 11;14(2):dmm047738. doi: 10.1242/dmm.047738. Epub ahead of print. PMID: 33431521; PMCID: PMC7888714.
- The natural products magnetic desonance database.
Nucleic Acids Research
Agriculture
2022
Identification of Serum-Predictive Biomarkers for Subclinical Mastitis in Dairy Cows and New Insights into the Pathobiology of the Disease
Guanshi Zhang, Dawid Tobolski, Grzegorz Zwierzchowski, Rupasri Mandal, David S. Wishart, Burim N. Ametaj. doi: 10.1021/acs.jafc.1c07281
Advances in Metabolomics-Driven Diagnostic Breeding and Crop Improvement
Ali Razzaq, David S. Wishart, Shabir Hussain Wani, Muhammad Khalid Hameed, Muhammad Mubin, Fozia Saleem
- Blood Metabolomic Phenotyping of Dry Cows Could Predict the High Milk Somatic Cells in Early Lactation—Preliminary Results
Klevis Haxhaij, Zhilli Li, Matthew Johnson, Suzanna M Dunn, David S Wishart, Burim N Ametaj. Dairy 2022 doi: 10.3390/dairy3010005
- Predictive Blood Biomarkers of Sheep Pregnancy and Litter Size
Seyed Ali Goldansaz, Susan Markus, Graham Plastow, David S Wishart. Research Square doi: 10.21203/rs.3.rs-1375860/v1
2021
- A Multi-Platform Metabolomics Approach Identifies Urinary Metabolite Signatures that Differentiate Ketotic from Healthy Dairy Cows.
Zhang G, Mandal R, Wishart DS, Ametaj BN. Front Vet Sci. 2021 Jan 26;8:595983. doi: 10.3389/fvets.2021.595983. PMID: 33575283; PMCID: PMC7871000.
- A targeted serum metabolomics gc–ms approach identifies predictive blood biomarkers for retained placenta in holstein dairy cows.
Zhang G, Tobolski D, Zwierzchowski G, Mandal R, Wishart DS, Ametaj BN. Metabolites. 2021 Sep 17;11(9):633. doi: 10.3390/metabo11090633. PMID: 34564449; PMCID: PMC8466882.
- A comprehensive targeted metabolomics assay for crop plant sample analysis.
Zheng J, Johnson M, Mandal R, Wishart DS. Metabolites. 2021 May 11;11(5):303. doi: 10.3390/metabo11050303. PMID: 34064699; PMCID: PMC8151637.
- New insights into the obligatory nature of cyclooxygenase-2 and PGE2 during early chick embryogenesis.
Verma U, Gautam M, Parmar B, Khaire K, Wishart DS, Balakrishnan S. Biochim Biophys Acta Mol Cell Biol Lipids. 2021 Apr;1866(4):158889. doi: 10.1016/j.bbalip.2021.158889. Epub 2021 Jan 15. PMID: 33454433.
Environment
2022
Informatics
2021
- A deep generative model enables automated structure elucidation of novel psychoactive substances.
Skinnider, M.A., Wang, F., Pasin, D., Greiner, R., Foster, L.J., Dalsgaard, P.W., & Wishart, D.S. (2021). Nature Machine Intelligence, 3(11), 973-984. DOI: 10.1038/s42256-021-00407-x
- CyProduct: A software tool for accurately predicting the byproducts of human cytochrome P450 metabolism
Tian S, Cao X, Greiner R, Li C, Guo A, Wishart DS. J Chem Inf Model. 2021 Jun 28;61(6):3128-3140. doi: 10.1021/acs.jcim.1c00144. Epub 2021 May 26. PMID: 34038112.
2020
Chemistry
2021
- More accurate ESI-MS/MS spectral prediction and compound identification.
Wang F, Liigand J, Tian S, Arndt D, Greiner R, Wishart DS. CFM-ID 4.0: Anal Chem. 2021 Aug 31;93(34):11692-11700. doi: 10.1021/acs.analchem.1c01465. Epub 2021 Aug 17. PMID: 34403256.
- An online database of molecular biomarkers.
Wishart DS, Bartok B, Oler E, Liang KYH, Budinski Z, Berjanskii M, Guo A, Cao X, Wilson M. Nucleic Acids Res. 2021 Jan 8;49(D1):D1259-D1267. doi: 10.1093/nar/gkaa1067. PMID: 33245771; PMCID: PMC7778954.
- Deep generative models enable navigation in sparsely populated chemical space.
Skinnider, M.A., Wang, F., Pasin, D., Greiner, R., Foster, L.J., Dalsgaard, P.W., & Wishart, D.S. (2021). Nature Machine Intelligence, 3(11), 973-984. DOI: 10.1038/s42256-021-00407-x
- Chemical language models enable navigation in sparsely populated chemical space.
Skinnider, M.A., Stacey, R.G., Wishart, D.S., & Foster, L.J. (2021). Nature Machine Intelligence, 3(9), 759-770. DOI: 10.1038/s42256-021-00368-1
2020
COVID-19
2022
Author Correction: Targeted metabolomics identifies high performing diagnostic and prognostic biomarkers for COVID-19
Yamilé López-Hernández, Joel Monárrez-Espino, Ana-Sofía Herrera-van Oostdam, Julio Enrique Castañeda Delgado, Lun Zhang, Jiamin Zheng, Juan José Oropeza Valdez, Rupasri Mandal, Fátima de Lourdes Ochoa González, Juan Carlos Borrego Moreno, Flor M. Trejo-Medinilla, Jesús Adrián López, José Antonio Enciso Moreno, David S. Wishart. Scientific Reports doi: 10.1038/s41598-021-94171-y
2021
- Targeted metabolomics identifies high performing diagnostic and prognostic biomarkers for COVID-19.
López-Hernández Y, Monárrez-Espino J, Oostdam AH, Delgado JEC, Zhang L, Zheng J, Valdez JJO, Mandal R, González FLO, Moreno JCB, Trejo-Medinilla FM, López JA, Moreno JAE, Wishart DS. Sci Rep. 2021 Jul 19;11(1):14732. doi: 10.1038/s41598-021-94171-y. PMID: 34282210; PMCID: PMC8290000.
- Immunometabolic signatures predict risk of progression to sepsis in COVID-19.
Herrera-Van Oostdam AS, Castañeda-Delgado JE, Oropeza-Valdez JJ, Borrego JC, Monárrez-Espino J, Zheng J, Mandal R, Zhang L, Soto-Guzmán E, Fernández-Ruiz JC, Ochoa-González F, Trejo Medinilla FM, López JA, Wishart DS, Enciso-Moreno JA, López-Hernández Y. PLoS One. 2021 Aug 30;16(8):e0256784. doi: 10.1371/journal.pone.0256784. PMID: 34460840; PMCID: PMC8405033.
2020
Databases
2022
- CFM-ID 4.0 – a web server for accurate MS-based metabolite identification
Wang F, Allen D, Tian S, Oler E, Gautum V, Greiner R, Metz TO, Wishart DS
- HMDB 5.0: the Human Metabolome Database for 2022
- NP-MRD: the Natural Products Magnetic Resonance Database
V
Drugs
2022
Metabolomic Fingerprint of Behavioral Changes in Response to Full-Spectrum Cannabis Extracts
Zaid H. Maayah, Pamela J. F. Raposo, Heidi Silver, Rupasri Mandal, Lee Ellis, Abrar S. Alam, Shingo Takahara, Mourad Ferdaoussi, Kyle E. Mathewson, Dean T Eurich,Karim Fouad, David S. Wishart, Jason R. B. Dyck. Front. Pharmacol., 25 January 2022 doi:0.3389/fphar.2022.831052
Acylcarnitines: Nomenclature, Biomarkers, Therapeutic Potential, Drug Targets, and Clinical Trials
2021
- A deep generative model enables automated structure elucidation of novel psychoactive substances.
Skinnider, M.A., Wang, F., Pasin, D., Greiner, R., Foster, L.J., Dalsgaard, P.W., & Wishart, D.S. (2021). Nature Machine Intelligence, 3(11), 973-984. DOI: 10.1038/s42256-021-00407-x
MarkerDB: an online database of molecular biomarkers
More publications will be listed soon! Check back often.