Abstract
Metabolomics is a rapidly evolving field that has the potential to revolutionize our understanding of human health and disease. Recent advances in analytical technologies, coupled with the increasing availability of large-scale datasets, have enabled researchers to identify novel biomarkers and pathways that are associated with a wide range of diseases. In this chapter, we discuss some of the key trends and future directions in metabolomics research, including precision medicine, personalized nutrition, multi-omics integration, the role of artificial intelligence and machine learning in metabolomics data analytics, applications of metabolomics in translational biology, and its relationship with the drug development and futuristic wearable for faster disease detections and surveillance. We also highlight some of the challenges and recommendations to fully realize the potential of metabolomics for improving human health.
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Notes
- 1.
Breathalyzer tests have also been designed for diagnosis of viral and bacterial infections through volatile organic compound detection. Secondary electrospray ionization-mass spectrometry (SESI-MS) on mouse breath could detect infection as well as distinguish between different pathogens and strains [6], and a diagnostic breath test using gas chromatography-mass spectrometry (GC-MS) was approved for emergency use in the Covid-19 pandemic [7, 8].
- 2.
Metabolomics analysis has been performed on an isolated mouse-embryonic fibroblast cell by sucking a cell’s contents into a nano-electrospray ionization tip and sent through a mass spectrometer to measure compounds of low molecular weight [165].
Abbreviations
- AD:
-
Alzheimer’s disease
- ANN:
-
Artificial neural network
- AUC:
-
Area under the curve
- CE-MS:
-
Capillary electrophoresis - Mass Spectrometry
- CGM:
-
Continuous glucose monitor
- CNN:
-
Convolutional neural network
- DI-MS:
-
Direct infusion-mass spectrometry
- DL:
-
Deep learning
- EI-MS :
-
Electron ionization mass spectrometry
- ELISA:
-
Enzyme-linked immunosorbent assay
- FDR:
-
False discovery rate
- GC-FID:
-
Gas chromatography-flame ionization detection
- GC-MS:
-
Gas chromatography-mass spectrometry
- hCG:
-
Human chorionic gonadotropin
- HDL:
-
High-density lipoprotein
- IEM:
-
Inborn errors of metabolism
- LAESI:
-
Laser ablation electrospray ionization
- LC-HRMS:
-
Liquid chromatography coupled to high-resolution mass spectrometry
- LC-MS:
-
Liquid chromatography-mass spectrometry
- LDL:
-
Low-density lipoprotein
- LDTs:
-
Laboratory-developed tests
- MALDI:
-
Matrix-assisted laser desorption/ionization
- mGWAS:
-
Metabolic genome-wide association studies
- ML:
-
Machine learning
- mQTL:
-
Metabolites and quantitative trait loci
- MSI:
-
Metabolomics Standards Initiative
- NMR:
-
Nuclear magnetic resonance
- PMRN:
-
Pharmacometabolomics Research Network
- QSP:
-
Quantitative and systems pharmacology
- SIMS:
-
Secondary ion mass spectrometry
- SNPs:
-
Single nucleotide polymorphisms
- VOC:
-
Volatile organic compound
References
Oliver, S.G., et al., Systematic functional analysis of the yeast genome. Trends Biotechnol, 1998. 16(9): p. 373–8.
Junot, C., et al., High resolution mass spectrometry based techniques at the crossroads of metabolic pathways. Mass Spectrom Rev, 2014. 33(6): p. 471–500.
Shin, S.Y., et al., An atlas of genetic influences on human blood metabolites. Nat Genet, 2014. 46(6): p. 543–550.
Suhre, K., et al., Human metabolic individuality in biomedical and pharmaceutical research. Nature, 2011. 477(7362): p. 54–60.
Foster, M., et al., Uncovering PFAS and Other Xenobiotics in the Dark Metabolome Using Ion Mobility Spectrometry, Mass Defect Analysis, and Machine Learning. Environ Sci Technol, 2022. 56(12): p. 9133–9143.
Zhu, J., et al., Detecting bacterial lung infections: in vivo evaluation of in vitro volatile fingerprints. J Breath Res, 2013. 7(1): p. 016003.
Exline, M.C., et al., Exhaled nitric oxide detection for diagnosis of COVID-19 in critically ill patients. PLoS One, 2021. 16(10): p. e0257644.
McKinney, J., Coronavirus (COVID-19) Update: FDA Authorizes First COVID-19 Diagnostic Test Using Breath Samples, in Test provides results in less than three minutes. 2022, FDA.gov.
Pietzner, M., et al., Plasma metabolites to profile pathways in noncommunicable disease multimorbidity. Nat Med, 2021. 27(3): p. 471–479.
Yu, Z., et al., Differences between human plasma and serum metabolite profiles. PLoS One, 2011. 6(7): p. e21230.
Trivedi, D.K., K.A. Hollywood, and R. Goodacre, Metabolomics for the masses: The future of metabolomics in a personalized world. New Horiz Transl Med, 2017. 3(6): p. 294–305.
Do, K.T., et al., Network-based approach for analyzing intra- and interfluid metabolite associations in human blood, urine, and saliva. J Proteome Res, 2015. 14(2): p. 1183–94.
Wishart, D.S., Metabolomics for Investigating Physiological and Pathophysiological Processes. Physiol Rev, 2019. 99(4): p. 1819–1875.
Hollywood, K., D.R. Brison, and R. Goodacre, Metabolomics: current technologies and future trends. Proteomics, 2006. 6(17): p. 4716–23.
Armitage, E.G. and C. Barbas, Metabolomics in cancer biomarker discovery: current trends and future perspectives. J Pharm Biomed Anal, 2014. 87: p. 1–11.
Kell, D.B., Metabolomic biomarkers: search, discovery and validation. Expert Review of Molecular Diagnostics, 2014. 7(4): p. 329–333.
Xia, J., et al., Translational biomarker discovery in clinical metabolomics: an introductory tutorial. Metabolomics, 2013. 9(2): p. 280–299.
Cui, Y., et al., The Exposome: Embracing the Complexity for Discovery in Environmental Health. Environ Health Perspect, 2016. 124(8): p. A137–40.
Rappaport, S.M., Genetic Factors Are Not the Major Causes of Chronic Diseases. PLoS One, 2016. 11(4): p. e0154387.
Andra, S.S., et al., Trends in the application of high-resolution mass spectrometry for human biomonitoring: An analytical primer to studying the environmental chemical space of the human exposome. Environ Int, 2017. 100: p. 32–61.
Gao, P., et al., Precision environmental health monitoring by longitudinal exposome and multi-omics profiling. Genome Res, 2022. 32(6): p. 1199–1214.
Jiang, C., et al., Dynamic Human Environmental Exposome Revealed by Longitudinal Personal Monitoring. Cell, 2018. 175(1): p. 277–291 e31.
Jiang, C., et al., Decoding personal biotic and abiotic airborne exposome. Nat Protoc, 2021. 16(2): p. 1129–1151.
Arivale. 2019; Available from: http://www.arivale.com/.
Bishop, T. and J. Thorne. Why Arivale failed: Inside the surprise closure of an ambitious ‘scientific wellness’ startup. 2019 [cited 2022; Available from: https://www.geekwire.com/2019/arivale-shut-doors-inside-surprise-closure-ambitious-scientific-wellness-startup/.
Paquette, D. Molecular You Signs Agreement for Roche to Use its Molecular Profiling Technology. 2021 [cited 2022; Available from: https://www.biospace.com/article/molecular-you-signs-agreement-for-roche-to-use-its-molecular-profiling-technology/.
Phillips, K.A., et al., Genetic Test Availability And Spending: Where Are We Now? Where Are We Going? Health Aff (Millwood), 2018. 37(5): p. 710–716.
Pinu, F.R., S.A. Goldansaz, and J. Jaine, Translational Metabolomics: Current Challenges and Future Opportunities. Metabolites, 2019. 9(6).
Trifonova, O.P., et al., Current State and Future Perspectives on Personalized Metabolomics. Metabolites, 2023. 13(1).
Spratlin, J.L., N.J. Serkova, and S.G. Eckhardt, Clinical applications of metabolomics in oncology: a review. Clin Cancer Res, 2009. 15(2): p. 431–40.
Turkoglu, O., et al., Metabolomics of biomarker discovery in ovarian cancer: a systematic review of the current literature. Metabolomics, 2016. 12(4).
Yu, L., K. Li, and X. Zhang, Next-generation metabolomics in lung cancer diagnosis, treatment and precision medicine: mini review. Oncotarget, 2017. 8(70): p. 115774–115786.
Troisi, J., et al., Metabolomic Signature of Endometrial Cancer. J Proteome Res, 2018. 17(2): p. 804–812.
Bathen, T.F., et al., Feasibility of MR metabolomics for immediate analysis of resection margins during breast cancer surgery. PLoS One, 2013. 8(4): p. e61578.
Glunde, K., et al., Choline metabolism-based molecular diagnosis of cancer: an update. Expert Rev Mol Diagn, 2015. 15(6): p. 735–47.
Ashrafian, H., et al., Metabolomics: The Stethoscope for the Twenty-First Century. Med Princ Pract, 2021. 30(4): p. 301–310.
Wang, T.J., et al., 2-Aminoadipic acid is a biomarker for diabetes risk. J Clin Invest, 2013. 123(10): p. 4309–17.
Kim, S., et al., Global metabolite profiling of synovial fluid for the specific diagnosis of rheumatoid arthritis from other inflammatory arthritis. PLoS One, 2014. 9(6): p. e97501.
van der Lee, S.J., et al., Circulating metabolites and general cognitive ability and dementia: Evidence from 11 cohort studies. Alzheimers Dement, 2018. 14(6): p. 707–722.
Han, W., et al., Profiling novel metabolic biomarkers for Parkinson's disease using in-depth metabolomic analysis. Mov Disord, 2017. 32(12): p. 1720–1728.
Licari, A., et al., Asthma Endotyping and Biomarkers in Childhood Asthma. Pediatr Allergy Immunol Pulmonol, 2018. 31(2): p. 44–55.
Wurtz, P., et al., High-throughput quantification of circulating metabolites improves prediction of subclinical atherosclerosis. Eur Heart J, 2012. 33(18): p. 2307–16.
Vallejo, M., et al., Plasma fingerprinting with GC-MS in acute coronary syndrome. Anal Bioanal Chem, 2009. 394(6): p. 1517–24.
Dunn, W.B., Broadhurst, D.I., Deepak, S.M. et al., Serum metabolomics reveals many novel metabolic markers of heart failure, including pseudouridine and 2-oxoglutarate. Metabolomics 2007. 3: p. 413–426.
Zhang, S., et al., Predicting detection limits of enzyme-linked immunosorbent assay (ELISA) and bioanalytical techniques in general. Analyst, 2014. 139(2): p. 439–45.
Gibney, M.J., et al., Metabolomics in human nutrition: opportunities and challenges. Am J Clin Nutr, 2005. 82(3): p. 497–503.
Wishart, D.S., Emerging applications of metabolomics in drug discovery and precision medicine. Nat Rev Drug Discov, 2016. 15(7): p. 473–84.
Di Minno, A., et al., Challenges in Metabolomics-Based Tests, Biomarkers Revealed by Metabolomic Analysis, and the Promise of the Application of Metabolomics in Precision Medicine. Int J Mol Sci, 2022. 23(9).
Mastrangelo, A., et al., Metabolomics as a tool for drug discovery and personalised medicine. A review. Curr Top Med Chem, 2014. 14(23): p. 2627–36.
Nicholson, J.K., et al., Metabonomics: a platform for studying drug toxicity and gene function. Nat Rev Drug Discov, 2002. 1(2): p. 153–61.
Sengupta, A., A. Uppoor, and M.B. Joshi, Metabolomics: Paving the path for personalized periodontics – A literature review. J Indian Soc Periodontol, 2022. 26(2): p. 98–103.
D'Adamo, G.L., J.T. Widdop, and E.M. Giles, The future is now? Clinical and translational aspects of "Omics" technologies. Immunol Cell Biol, 2021. 99(2): p. 168–176.
Dawiskiba, T., et al., Serum and urine metabolomic fingerprinting in diagnostics of inflammatory bowel diseases. World J Gastroenterol, 2014. 20(1): p. 163–74.
Williams, H.R., et al., Serum metabolic profiling in inflammatory bowel disease. Dig Dis Sci, 2012. 57(8): p. 2157–65.
da Silva, R.R., P.C. Dorrestein, and R.A. Quinn, Illuminating the dark matter in metabolomics. Proc Natl Acad Sci U S A, 2015. 112(41): p. 12549–50.
Roberts, L.D., et al., Targeted metabolomics. Curr Protoc Mol Biol, 2012. Chapter 30: p. Unit 30 2 1–24.
Patti, G.J., O. Yanes, and G. Siuzdak, Innovation: Metabolomics: the apogee of the omics trilogy. Nat Rev Mol Cell Biol, 2012. 13(4): p. 263–9.
Dunn, W.B., et al., Systems level studies of mammalian metabolomes: the roles of mass spectrometry and nuclear magnetic resonance spectroscopy. Chem Soc Rev, 2011. 40(1): p. 387–426.
Zhang, X., et al., Non-targeted and targeted metabolomics approaches to diagnosing lung cancer and predicting patient prognosis. Oncotarget, 2016. 7(39): p. 63437–63448.
Castelli, F.A., et al., Metabolomics for personalized medicine: the input of analytical chemistry from biomarker discovery to point-of-care tests. Anal Bioanal Chem, 2022. 414(2): p. 759–789.
Yang, Q., et al., Metabolomics biotechnology, applications, and future trends: a systematic review. RSC Adv, 2019. 9(64): p. 37245–37257.
Dumas, T., et al., Environmental Metabolomics Promises and Achievements in the Field of Aquatic Ecotoxicology: Viewed through the Pharmaceutical Lens. Metabolites, 2022. 12(2).
Wu, W., et al., Emerging applications of metabolomics in food science and future trends. Food Chem X, 2022. 16: p. 100500.
Sakurai, N., Recent applications of metabolomics in plant breeding. Breed Sci, 2022. 72(1): p. 56–65.
Tang, Z.Z., et al., Multi-Omic Analysis of the Microbiome and Metabolome in Healthy Subjects Reveals Microbiome-Dependent Relationships Between Diet and Metabolites. Front Genet, 2019. 10: p. 454.
Nguyen, Q.P., et al., Associations between the gut microbiome and metabolome in early life. BMC Microbiol, 2021. 21(1): p. 238.
Bauermeister, A., et al., Mass spectrometry-based metabolomics in microbiome investigations. Nat Rev Microbiol, 2022. 20(3): p. 143–160.
Lee-Sarwar, K.A., et al., Metabolome-Microbiome Crosstalk and Human Disease. Metabolites, 2020. 10(5).
Tran, H., M. McConville, and P. Loukopoulos, Metabolomics in the study of spontaneous animal diseases. J Vet Diagn Invest, 2020. 32(5): p. 635–647.
Goldansaz, S.A., et al., Livestock metabolomics and the livestock metabolome: A systematic review. PLoS One, 2017. 12(5): p. e0177675.
Zhang, G., et al., A Multi-Platform Metabolomics Approach Identifies Urinary Metabolite Signatures That Differentiate Ketotic From Healthy Dairy Cows. Front Vet Sci, 2021. 8: p. 595983.
Ramirez, T., et al., Metabolomics in toxicology and preclinical research. ALTEX, 2013. 30(2): p. 209–25.
Playdon, M.C., et al., Metabolomics Analytics Workflow for Epidemiological Research: Perspectives from the Consortium of Metabolomics Studies (COMETS). Metabolites, 2019. 9(7).
Dougan, M.M., et al., Metabolomic profiles in breast cancer: a pilot case-control study in the breast cancer family registry. BMC Cancer, 2018. 18(1): p. 532.
De Preter, V. and K. Verbeke, Metabolomics as a diagnostic tool in gastroenterology. World J Gastrointest Pharmacol Ther, 2013. 4(4): p. 97–107.
McGarrah, R.W., et al., Cardiovascular Metabolomics. Circ Res, 2018. 122(9): p. 1238–1258.
Han, L., et al., Altered metabolome and microbiome features provide clues in understanding irritable bowel syndrome and depression comorbidity. ISME J, 2022. 16(4): p. 983–996.
Vernocchi, P., F. Del Chierico, and L. Putignani, Gut Microbiota Profiling: Metabolomics Based Approach to Unravel Compounds Affecting Human Health. Front Microbiol, 2016. 7: p. 1144.
Zhao, Z., et al., Application of metabolomics in osteoporosis research. Front Endocrinol (Lausanne), 2022. 13: p. 993253.
Adav, S.S. and Y. Wang, Metabolomics Signatures of Aging: Recent Advances. Aging Dis, 2021. 12(2): p. 646–661.
Wendt, C.H., et al., Metabolite profiles associated with disease progression in influenza infection. PLoS One, 2021. 16(4): p. e0247493.
McCreath, G., et al., A Metabolomics approach for the diagnosis Of SecondAry InfeCtions in COVID-19 (MOSAIC): a study protocol. BMC Infect Dis, 2021. 21(1): p. 1204.
Ulaszewska, M.M., et al., Nutrimetabolomics: An Integrative Action for Metabolomic Analyses in Human Nutritional Studies. Mol Nutr Food Res, 2019. 63(1): p. e1800384.
Reisdorph, N.A., et al., Nutrimetabolomics reveals food-specific compounds in urine of adults consuming a DASH-style diet. Sci Rep, 2020. 10(1): p. 1157.
Rangel-Huerta, O.D. and A. Gil, Nutrimetabolomics: An Update on Analytical Approaches to Investigate the Role of Plant-Based Foods and Their Bioactive Compounds in Non-Communicable Chronic Diseases. Int J Mol Sci, 2016. 17(12).
Mathur, S. and J. Sutton, Personalized medicine could transform healthcare. Biomed Rep, 2017. 7(1): p. 3–5.
Hood, L. and M. Flores, A personal view on systems medicine and the emergence of proactive P4 medicine: predictive, preventive, personalized and participatory. N Biotechnol, 2012. 29(6): p. 613–24.
Ginsburg, G.S. and K.A. Phillips, Precision Medicine: From Science To Value. Health Aff (Millwood), 2018. 37(5): p. 694–701.
Kaddurah-Daouk, R., R. Weinshilboum, and N. Pharmacometabolomics Research, Metabolomic Signatures for Drug Response Phenotypes: Pharmacometabolomics Enables Precision Medicine. Clin Pharmacol Ther, 2015. 98(1): p. 71–5.
Hesse, J., et al., Profound inhibition of CD73-dependent formation of anti-inflammatory adenosine in B cells of SLE patients. EBioMedicine, 2021. 73: p. 103616.
Lin, X., et al., Metabolic biomarker signature for predicting the effect of neoadjuvant chemotherapy of breast cancer. Ann Transl Med, 2019. 7(22): p. 670.
Ye, Z., et al., A 13-Gene Metabolic Prognostic Signature Is Associated With Clinical and Immune Features in Stomach Adenocarcinoma. Front Oncol, 2021. 11: p. 612952.
Yousf, S., et al., Metabolic signatures suggest o-phosphocholine to UDP-N-acetylglucosamine ratio as a potential biomarker for high-glucose and/or palmitate exposure in pancreatic beta-cells. Metabolomics, 2019. 15(4): p. 55.
Kaddurah-Daouk, R., et al., Pretreatment metabotype as a predictor of response to sertraline or placebo in depressed outpatients: a proof of concept. Transl Psychiatry, 2011. 1(7): p. e26–.
Zhu, H., et al., Pharmacometabolomics of response to sertraline and to placebo in major depressive disorder – possible role for methoxyindole pathway. PLoS One, 2013. 8(7): p. e68283.
Kaddurah-Daouk, R., et al., Pharmacometabolomic mapping of early biochemical changes induced by sertraline and placebo. Transl Psychiatry, 2013. 3(1): p. e223.
Yao, J.K., et al., Associations between purine metabolites and clinical symptoms in schizophrenia. PLoS One, 2012. 7(8): p. e42165.
Yerges-Armstrong, L.M., et al., Purine pathway implicated in mechanism of resistance to aspirin therapy: pharmacometabolomics-informed pharmacogenomics. Clin Pharmacol Ther, 2013. 94(4): p. 525–32.
Abo, R., et al., Merging pharmacometabolomics with pharmacogenomics using '1000 Genomes' single-nucleotide polymorphism imputation: selective serotonin reuptake inhibitor response pharmacogenomics. Pharmacogenet Genomics, 2012. 22(4): p. 247–53.
Ji, Y., et al., Glycine and a glycine dehydrogenase (GLDC) SNP as citalopram/escitalopram response biomarkers in depression: pharmacometabolomics-informed pharmacogenomics. Clin Pharmacol Ther, 2011. 89(1): p. 97–104.
Perroud, B., et al., Pharmacometabolomic signature of ataxia SCA1 mouse model and lithium effects. PLoS One, 2013. 8(8): p. e70610.
Lewis, J.P., et al., Integration of pharmacometabolomic and pharmacogenomic approaches reveals novel insights into antiplatelet therapy. Clin Pharmacol Ther, 2013. 94(5): p. 570–3.
Trupp, M., et al., Metabolomics reveals amino acids contribute to variation in response to simvastatin treatment. PLoS One, 2012. 7(7): p. e38386.
Kaddurah-Daouk, R., et al., Metabolomic mapping of atypical antipsychotic effects in schizophrenia. Mol Psychiatry, 2007. 12(10): p. 934–45.
McEvoy, J., et al., Lipidomics reveals early metabolic changes in subjects with schizophrenia: effects of atypical antipsychotics. PLoS One, 2013. 8(7): p. e68717.
Ellero-Simatos, S., et al., Pharmacometabolomics reveals that serotonin is implicated in aspirin response variability. CPT Pharmacometrics Syst Pharmacol, 2014. 3(7): p. e125.
Cooper-Dehoff, R.M., et al., Is diabetes mellitus-linked amino acid signature associated with beta-blocker-induced impaired fasting glucose? Circ Cardiovasc Genet, 2014. 7(2): p. 199–205.
Wikoff, W.R., et al., Pharmacometabolomics reveals racial differences in response to atenolol treatment. PLoS One, 2013. 8(3): p. e57639.
Kaddurah-Daouk, R., et al., Lipidomic analysis of variation in response to simvastatin in the Cholesterol and Pharmacogenetics Study. Metabolomics, 2010. 6(2): p. 191–201.
Li, H. and W. Jia, Cometabolism of microbes and host: implications for drug metabolism and drug-induced toxicity. Clin Pharmacol Ther, 2013. 94(5): p. 574–81.
Ji, Y., et al., Pharmacogenomics of selective serotonin reuptake inhibitor treatment for major depressive disorder: genome-wide associations and functional genomics. Pharmacogenomics J, 2013. 13(5): p. 456–63.
Ji, Y., et al., Citalopram and escitalopram plasma drug and metabolite concentrations: genome-wide associations. Br J Clin Pharmacol, 2014. 78(2): p. 373–83.
Gupta, M., et al., TSPAN5, ERICH3 and selective serotonin reuptake inhibitors in major depressive disorder: pharmacometabolomics-informed pharmacogenomics. Mol Psychiatry, 2016. 21(12): p. 1717–1725.
Mitchell, B.D., et al., The genetic response to short-term interventions affecting cardiovascular function: rationale and design of the Heredity and Phenotype Intervention (HAPI) Heart Study. Am Heart J, 2008. 155(5): p. 823–8.
Neavin, D., R. Kaddurah-Daouk, and R. Weinshilboum, Pharmacometabolomics informs Pharmacogenomics. Metabolomics, 2016. 12(7).
Clayton, T.A., et al., Pharmaco-metabonomic phenotyping and personalized drug treatment. Nature, 2006. 440(7087): p. 1073–7.
Beger, R.D., et al., Metabolomics enables precision medicine: "A White Paper, Community Perspective". Metabolomics, 2016. 12(10): p. 149.
Guo, L., et al., Plasma metabolomic profiles enhance precision medicine for volunteers of normal health. Proc Natl Acad Sci U S A, 2015. 112(35): p. E4901–10.
Leil, T.A. and R. Bertz, Quantitative Systems Pharmacology can reduce attrition and improve productivity in pharmaceutical research and development. Front Pharmacol, 2014. 5: p. 247.
Martorell-Marugan, J., et al., Deep Learning in Omics Data Analysis and Precision Medicine, in Computational Biology, H. Husi, Editor. 2019: Brisbane (AU).
Sammut, S.J., et al., Multi-omic machine learning predictor of breast cancer therapy response. Nature, 2022. 601(7894): p. 623–629.
Reel, P.S., et al., Using machine learning approaches for multi-omics data analysis: A review. Biotechnol Adv, 2021. 49: p. 107739.
Tercan, B., & Leblebici, A, Data Resources and Machine Learning for Transcriptomics Data Analysis. Current Studies in Basic Sciences, Engineering and Technology, 2021: p. 70–85.
Félix Raimundo, L.M.-P., Céline Vallot, Jean-Philippe Vert, Machine learning for single-cell genomics data analysis. 2021. 26: p. 64–71.
Pomyen, Y., et al., Deep metabolome: Applications of deep learning in metabolomics. Comput Struct Biotechnol J, 2020. 18: p. 2818–2825.
Matyushin, D.D., A.Y. Sholokhova, and A.K. Buryak, Deep Learning Driven GC-MS Library Search and Its Application for Metabolomics. Anal Chem, 2020. 92(17): p. 11818–11825.
Liebal, U.W., et al., Machine Learning Applications for Mass Spectrometry-Based Metabolomics. Metabolites, 2020. 10(6).
Kantz, E.D., et al., Deep Neural Networks for Classification of LC-MS Spectral Peaks. Anal Chem, 2019. 91(19): p. 12407–12413.
Petrick, L.M. and N. Shomron, AI/ML-driven advances in untargeted metabolomics and exposomics for biomedical applications. Cell Rep Phys Sci, 2022. 3(7).
Sotnezova, K.M., Samokhin, A.S. & Revelsky, I.A., Use of PLS Discriminant Analysis for Revealing the Absence of a Compound in an Electron Ionization Mass Spectral Database. Anal Chem, 2017.
Samokhin, A., K. Sotnezova, and I. Revelsky, Predicting the absence of an unknown compound in a mass spectral database. Eur J Mass Spectrom (Chichester), 2019. 25(6): p. 439–444.
Wang, D., P. Greenwood, and M.S. Klein, Deep Learning for Rapid Identification of Microbes Using Metabolomics Profiles. Metabolites, 2021. 11(12).
Asakura, T., Y. Date, and J. Kikuchi, Application of ensemble deep neural network to metabolomics studies. Anal Chim Acta, 2018. 1037: p. 230–236.
Alakwaa, F.M., K. Chaudhary, and L.X. Garmire, Deep Learning Accurately Predicts Estrogen Receptor Status in Breast Cancer Metabolomics Data. J Proteome Res, 2018. 17(1): p. 337–347.
Hu, X., et al., Combining metabolome and clinical indicators with machine learning provides some promising diagnostic markers to precisely detect smear-positive/negative pulmonary tuberculosis. BMC Infect Dis, 2022. 22(1): p. 707.
Bahado-Singh, R.O., et al., Artificial intelligence and amniotic fluid multiomics: prediction of perinatal outcome in asymptomatic women with short cervix. Ultrasound Obstet Gynecol, 2019. 54(1): p. 110–118.
Troisi, J., et al., A Metabolomics-Based Screening Proposal for Colorectal Cancer. Metabolites, 2022. 12(2).
Hogan, C.A., et al., Nasopharyngeal metabolomics and machine learning approach for the diagnosis of influenza. EBioMedicine, 2021. 71: p. 103546.
Prade, V.M., et al., The synergism of spatial metabolomics and morphometry improves machine learning-based renal tumour subtype classification. Clin Transl Med, 2022. 12(2): p. e666.
Cao, J., et al., Combined metabolomics and machine learning algorithms to explore metabolic biomarkers for diagnosis of acute myocardial ischemia. Int J Legal Med, 2022.
Niu, J., et al., Joint deep learning for batch effect removal and classification toward MALDI MS based metabolomics. BMC Bioinformatics, 2022. 23(1): p. 270.
Oh, T.G., et al., A Universal Gut-Microbiome-Derived Signature Predicts Cirrhosis. Cell Metab, 2020. 32(5): p. 878–888 e6.
Shen, B.e.a., Proteomic and Metabolomic Characterization of COVID-19 Patient Sera. Cell, 2020. 182: p. 59–72.
Takahashi, Y., et al., Improved metabolomic data-based prediction of depressive symptoms using nonlinear machine learning with feature selection. Transl Psychiatry, 2020. 10(1): p. 157.
Taylor, M.J., J.K. Lukowski, and C.R. Anderton, Spatially Resolved Mass Spectrometry at the Single Cell: Recent Innovations in Proteomics and Metabolomics. J Am Soc Mass Spectrom, 2021. 32(4): p. 872–894.
Pelkmans, L., Cell Biology. Using cell-to-cell variability--a new era in molecular biology. Science, 2012. 336(6080): p. 425–6.
Lee, M.C., et al., Single-cell analyses of transcriptional heterogeneity during drug tolerance transition in cancer cells by RNA sequencing. Proc Natl Acad Sci U S A, 2014. 111(44): p. E4726–35.
Russell, A.B., C. Trapnell, and J.D. Bloom, Extreme heterogeneity of influenza virus infection in single cells. Elife, 2018. 7.
Altschuler, S.J. and L.F. Wu, Cellular heterogeneity: do differences make a difference? Cell, 2010. 141(4): p. 559–63.
Lanekoff, I., V.V. Sharma, and C. Marques, Single-cell metabolomics: where are we and where are we going? Curr Opin Biotechnol, 2022. 75: p. 102693.
Hansen, R.L. and Y.J. Lee, High-Spatial Resolution Mass Spectrometry Imaging: Toward Single Cell Metabolomics in Plant Tissues. The Chemical Record, 2018. 18(1): p. 65–77.
Rappez, L., et al., SpaceM reveals metabolic states of single cells. Nat Methods, 2021. 18(7): p. 799–805.
Kumar, R., et al., Single Cell Metabolomics: A Future Tool to Unmask Cellular Heterogeneity and Virus-Host Interaction in Context of Emerging Viral Diseases. Front Microbiol, 2020. 11: p. 1152.
Mas, S., et al., Cluster TOF-SIMS imaging: a new light for in situ metabolomics? Proteomics, 2008. 8(18): p. 3735–45.
Behrens, S., A. Kappler, and M. Obst, Linking environmental processes to the in situ functioning of microorganisms by high-resolution secondary ion mass spectrometry (NanoSIMS) and scanning transmission X-ray microscopy (STXM). Environ Microbiol, 2012. 14(11): p. 2851–69.
Aichler, M. and A. Walch, MALDI Imaging mass spectrometry: current frontiers and perspectives in pathology research and practice. Lab Invest, 2015. 95(4): p. 422–31.
Norris, J.L. and R.M. Caprioli, Analysis of tissue specimens by matrix-assisted laser desorption/ionization imaging mass spectrometry in biological and clinical research. Chem Rev, 2013. 113(4): p. 2309–42.
Soltwisch, J., et al., Mass spectrometry imaging with laser-induced postionization. Science, 2015. 348(6231): p. 211–5.
Shrestha, B. and A. Vertes, In situ metabolic profiling of single cells by laser ablation electrospray ionization mass spectrometry. Anal Chem, 2009. 81(20): p. 8265-71.
Taylor, M.J., et al., Ambient Single-Cell Analysis and Native Tissue Imaging Using Laser-Ablation Electrospray Ionization Mass Spectrometry with Increased Spatial Resolution. J Am Soc Mass Spectrom, 2021. 32(9): p. 2490–2494.
Arentz, G., et al., Applications of Mass Spectrometry Imaging to Cancer. Adv Cancer Res, 2017. 134: p. 27–66.
Roach, P.J., J. Laskin, and A. Laskin, Nanospray desorption electrospray ionization: an ambient method for liquid-extraction surface sampling in mass spectrometry. Analyst, 2010. 135(9): p. 2233–6.
Kim, J. and R.J. DeBerardinis, Mechanisms and Implications of Metabolic Heterogeneity in Cancer. Cell Metab, 2019. 30(3): p. 434–446.
Lau, A.N., et al., Dissecting cell-type-specific metabolism in pancreatic ductal adenocarcinoma. Elife, 2020. 9.
Tsuyama, N., et al., Live single-cell molecular analysis by video-mass spectrometry. Anal Sci, 2008. 24(5): p. 559–61.
Wilson, A.D., Application of Electronic-Nose Technologies and VOC-Biomarkers for the Noninvasive Early Diagnosis of Gastrointestinal Diseases (dagger). Sensors (Basel), 2018. 18(8).
Patrick A. Gladding, R.Y., Maxine Cooper, Suzanne Loader, Kevin Smith, Erica Zarate, Saras Green, Silas G. Villas-Boas, Phillip Shepherd, Purvi Kakadiya, Eric Thorstensen, Christine Keven, Margaret Coe, Mia Jüllig, Edmond Zhang, Todd T. Schlegel, Metabolomics and a Breath Sensor Identify Acetone as a Biomarker for Heart Failure. 2021.
Panebianco, C., et al., Cancer sniffer dogs: how can we translate this peculiarity in laboratory medicine? Results of a pilot study on gastrointestinal cancers. Clin Chem Lab Med, 2017. 56(1): p. 138–146.
Gao, W., G.A. Brooks, and D.C. Klonoff, Wearable physiological systems and technologies for metabolic monitoring. J Appl Physiol (1985), 2018. 124(3): p. 548–556.
Potts, R.O., J.A. Tamada, and M.J. Tierney, Glucose monitoring by reverse iontophoresis. Diabetes Metab Res Rev, 2002. 18 Suppl 1: p. S49–53.
Mannoor, M.S., et al., Graphene-based wireless bacteria detection on tooth enamel. Nat Commun, 2012. 3: p. 763.
Kim, J., et al., Non-invasive mouthguard biosensor for continuous salivary monitoring of metabolites. Analyst, 2014. 139(7): p. 1632–6.
Kim, J., et al., Wearable salivary uric acid mouthguard biosensor with integrated wireless electronics. Biosens Bioelectron, 2015. 74: p. 1061–8.
DiaTribe. Google Secures Patent for Glucose-Sensing Contact Lens. 2015; Available from: https://diatribe.org/google-secures-patent-glucose-sensing-contact-lens.
Heinemann, J., et al., Analysis of Raw Biofluids by Mass Spectrometry Using Microfluidic Diffusion-Based Separation. Anal Methods, 2017. 9(3): p. 385–392.
2021; Available from: https://www.auggi.ai/.
Lapizco-Encinas, B.H. and Y.V. Zhang, Microfluidic systems in clinical diagnosis. Electrophoresis, 2022.
Jacobs, D.M., M.A. van den Berg, and R.D. Hall, Towards superior plant-based foods using metabolomics. Curr Opin Biotechnol, 2021. 70: p. 23–28.
Liu, Y., et al., Quantitative variability of 342 plasma proteins in a human twin population. Mol Syst Biol, 2015. 11(1): p. 786.
Bermingham, K.M., et al., Genetic and Environmental Contributions to Variation in the Stable Urinary NMR Metabolome over Time: A Classic Twin Study. J Proteome Res, 2021. 20(8): p. 3992–4000.
Liu, N., et al., Comparison of Untargeted Metabolomic Profiling vs Traditional Metabolic Screening to Identify Inborn Errors of Metabolism. JAMA Netw Open, 2021. 4(7): p. e2114155.
Gertsman, I. and B.A. Barshop, Promises and pitfalls of untargeted metabolomics. J Inherit Metab Dis, 2018. 41(3): p. 355–366.
Barron, R., et al., Twin metabolomics: the key to unlocking complex phenotypes in nutrition research. Nutr Res, 2016. 36(4): p. 291–304.
Fessenden, M., Metabolomics: Small molecules, single cells. Nature, 2016. 540(7631): p. 153–155.
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Soni, V., Bartelo, N., Schweickart, A., Chawla, Y., Dutta, A., Jain, S. (2023). Future Perspectives of Metabolomics: Gaps, Planning, and Recommendations. In: Soni, V., Hartman, T.E. (eds) Metabolomics. Springer, Cham. https://doi.org/10.1007/978-3-031-39094-4_14
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