Curriculum Vitae

Miao YU

Contact Information

Research Interest

POPs, Environmental Processes, Non-targeted Analysis, SPME, Mass Spectrometry, Exposomics, Computational Metabolomics

Education Background

  • 2010.08 ~ 2016.06, PhD in Environmental Sciences, Research Center for Eco-Environmental Sciences(RCEES), Chinese Academy of Sciences
  • 2006.08 ~ 2010.06, Bachelor of Science, School of Environmental Science and Technology, Shandong University

Professional Experience

  • 2022.04 ~ now, Scientist, The Jackson Laboratory, USA
  • 2018.09 ~ 2022.04, Postdoctoral Fellow, Icahn School of Medicine at Mount Sinai, USA
  • 2016.08 ~ 2018.08, Postdoctoral Fellow, University of Waterloo, Canada.

Honors & Awards

  • First-class scholarship, RCEES, CAS, 2015
  • Merit Student, University of Chinese Academy of Sciences, 2014
  • First-class scholarship, RCEES, CAS, 2014
  • First-class scholarship, RCEES, CAS, 2013
  • Second-class scholarship, RCEES, CAS, 2012
  • Second-class scholarship, RCEES, CAS, 2011
  • The first prize in the group competition in science and technology innovation fund project, Shandong University, 2008
  • Advanced staff in scientific and technical research, Shandong University, 2007
  • Second-class scholarship, Shandong University, 2007
  • Outstanding Minister of Students Union in School of Environmental Science and Technology, Shandong University, 2007-2008
  • Outstanding Member of Students Union in School of Environmental Science and Technology, Shandong University, 2006-2007


  • Miao Yu, 2021, Molecular gatekeeper discovery to link exposome with health outcomes through metabolomics, 69th ASMS Conference, Pennsylvania, USA. (slides
  • Miao Yu, 2021, Molecular gatekeeper discovery for multiple exposure groups in adolescent girls, ACS Spring 2021, USA. (slides
  • Miao Yu, 2021, General reactomics data analysis framework for retrieving chemical relationship from untargeted mass-spectrometry data, Pittcon 2021, USA. (slides and video)
  • Miao Yu, 2020, reactomics: using mass sepctrometry as chemical reaction detector ASMS 2020 Reboot, USA. (slides and video)
  • Miao Yu, 2019, Reactomics: possibility of using mass spectrometry as reaction detector, Materials Energy EnvironmenT Seminar, University at Buffalo, Buffalo, NY, USA. (slides)
  • Miao Yu, 2019, Structure/reaction directed analysis for environmental metabolites, ACS Fall 2019 National Meeting & Expo, San Diego, CA, USA. (slides)
  • Miao Yu, 2018, Online batch correction and interactive data visualization for GC/LC-MS data, Pittcon 2018, Orlando, FL, USA. (slides)
  • Miao Yu, 2017, Text Mining for Academic Journals: Science Café @ UWaterloo, ON, Canada. (slides)
  • Miao Yu, 2015, Analysis method for unknown Mono-MeO-PBDEs based on GC-qMS, Chinese Chemical Society: The 18th National Conference on Organic Analysis and Bioanalysis, Shanghai, China.(slides)
  • Miao Yu, 2015, Organic Stable Isotope Analysis with GC-qMS for PBDEs in a molecular view, Isotopes 2015, Jerusalem, Israel.(slides)
  • Miao Yu, 2015, Data visualization of GC-MS and its application in environmental analysis, The 8th National Conference on Environmental Chemistry, Guangzhou, China(slides)
  • Miao YU,2014,Model selection and prediction of retention time of PBDEs on DB-5ms column, 10th conference of bio-medicine chromatograph(China), Weihai, China.(slides,shinyBDE)
  • Miao YU, 2014, Digging the thresholds in environmental data, 2nd Environmental pollution and health forum for Graduate students, Beijing, China.(slides)



  • Yu, M., Teitelbaum, S.L., Dolios, G., Dang, L.-H.T., Tu, P., Wolff, M.S., Petrick, L.M., 2022. Molecular Gatekeeper Discovery: Workflow for Linking Multiple Exposure Biomarkers to Metabolomics. Environ. Sci. Technol.

  • Yu, M., Dolios, G., Petrick, L., 2022. Reproducible untargeted metabolomics workflow for exhaustive MS2 data acquisition of MS1 features. Journal of Cheminformatics 14, 6.

  • Yu, M., Roszkowska, A., Pawliszyn, J., 2022. In Vivo Solid-Phase Microextraction and Applications in Environmental Sciences. ACS Environ. Au 2, 30–41.

  • Yu, M., Tu, P., Dolios, G., Dassanayake, P.S., Volk, H., Newschaffer, C., Fallin, M.D., Croen, L., Lyall, K., Schmidt, R., Hertz-Piccioto, I., Austin, C., Arora, M., Petrick, L.M., 2021. Tooth biomarkers to characterize the temporal dynamics of the fetal and early-life exposome. Environment International 157, 106849.

  • Yu, M., Petrick, L., 2020. Untargeted high-resolution paired mass distance data mining for retrieving general chemical relationships. Communications Chemistry 3, 1–6.

  • Yu, M., Dolios, G., Yong-Gonzalez, V., Björkqvist, O., Colicino, E., Halfvarson, J., Petrick, L., 2020. Untargeted metabolomics profiling and hemoglobin normalization for archived newborn dried blood spots from a refrigerated biorepository. Journal of Pharmaceutical and Biomedical Analysis 191, 113574.

  • Yu, M., Lendor, S., Roszkowska, A., Olkowicz, M., Bragg, L., Servos, M., Pawliszyn, J., 2020. Metabolic profile of fish muscle tissue changes with sampling method, storage strategy and time. Analytica Chimica Acta 1136, 42–50.

  • Yu, M., Olkowicz, M., Pawliszyn, J., 2019. Structure/reaction directed analysis for LC-MS based untargeted analysis. Analytica Chimica Acta 1050, 16–24.

  • Roszkowska, A., Yu, M., Bessonneau, V., Bragg, L., Servos, M., Pawliszyn, J., 2018. Metabolome Profiling of Fish Muscle Tissue Exposed to Benzo[a] pyrene Using in Vivo Solid-Phase Microextraction. Environ. Sci. Technol. Lett. 5, 431–435.

  • Yu, M., Hou, X., Liu, Q., Wang, Y., Liu, J., Jiang, G., 2017. Evaluation and reduction of the analytical uncertainties in GC-MS analysis using a boundary regression model. Talanta 164, 141–147. doi:10.1016/j.talanta.2016.11.046

  • Yu, M., Liu, J., Wang, T., Zhang, A., Wang, Y., Zhou, Q., Jiang, G., 2016. Structure prediction of methyoxy-polybrominated diphenyl ethers (MeO-PBDEs) through GC–MS analysis of their corresponding PBDEs. Talanta 152, 9–14. doi:10.1016/j.talanta.2016.01.047

  • Yu, M., Liu, J., Wang, T., Sun, J., Liu, R., Jiang, G., 2013. Metabolites of 2,4,4′-Tribrominated Diphenyl Ether (BDE-28) in Pumpkin after In Vivo and In Vitro Exposure. Environ. Sci. Technol. 47, 13494–13501. doi:10.1021/es404144p

  • Olkowicz, M., Ramadan, K., Rosales-Solano, H., Yu, M., Wang, A., Cypel, M., Pawliszyn, J., 2023. Mapping the metabolic responses to oxaliplatin-based chemotherapy with in vivo spatiotemporal metabolomics. Journal of Pharmaceutical Analysis.

  • Song, S., Cai, L., Liu, Y., Peng, Z., Liu, C., Jiao, H., Li, P., Liu, Q., Yu, M., Zhou, T., Zhang, Q., Hollert, H., Zhao, X., Jiang, G., 2023. Development of a solubility parameter calculation-based method as a complementary tool to traditional techniques for indoor dust microplastic determination and risk assessment. Journal of Hazardous Materials 459, 132189.

  • Olkowicz, M., Ribeiro, R.V.P., Yu, F., Alvarez, J.S., Xin, L., Yu, M., Rosales, R., Adamson, M.B., Bissoondath, V., Smolenski, R.T., Billia, F., Badiwala, M.V., Pawliszyn, J., 2022. Dynamic Metabolic Changes During Prolonged Ex Situ Heart Perfusion Are Associated With Myocardial Functional Decline. Front Immunol 13, 859506.

  • Looby, N., Roszkowska, A., Yu, M., Rios-Gomez, G., Pipkin, M., Bojko, B., Cypel, M., Pawliszyn, J., 2023. In vivo solid phase microextraction for therapeutic monitoring and pharmacometabolomic fingerprinting of lung during in vivo lung perfusion of FOLFOX. Journal of Pharmaceutical Analysis.

  • Yu, Y., Huang, J., Jin, L., Yu, M., Yu, X., Zhu, X., Sun, J., Zhu, L., 2023a. Translocation and metabolism of tricresyl phosphate in rice and microbiome system: Isomer-specific processes and overlooked metabolites. Environment International 172, 107793.

  • Yu, Y., Yu, X., Zhang, D., Jin, L., Huang, J., Zhu, X., Sun, J., Yu, M., Zhu, L., 2023b. Biotransformation of Organophosphate Esters by Rice and Rhizosphere Microbiome: Multiple Metabolic Pathways, Mechanism, and Toxicity Assessment. Environ. Sci. Technol. 57, 1776–1787.

  • Peng, Z., Shao, M., Yu, M., Lu, B., Zhao, X., Li, P., Song, S., Liu, Q., Zhou, T., Zhang, Q., 2021. Calculation and Experimental Validation of a Novel Approach Using Solubility Parameters as Indicators for the Extraction of Additives in Plastics. Anal. Chem. 93, 14837–14843.

  • Looby, N., Roszkowska, A., Reyes-Garcés, N., Yu, M., Bączek, T., Kulasingam, V., Pawliszyn, J., Chandran, V., 2021. Serum metabolic fingerprinting of psoriasis and psoriatic arthritis patients using solid-phase microextraction—liquid chromatography—high-resolution mass spectrometry. Metabolomics 17, 59.

  • Hu, J., Lesseur, C., Yu, M., Manservisi, F., Panzacchi, S., Mandrioli, D., Belpoggi, F., Chen, J., Petrick, L., 2021. Low-dose exposure of glyphosate-based herbicides disrupt the urine metabolome and its interaction with gut microbiota. Scientific Reports 11, 3265.

  • Chen, W., Yu, M., Zhang, Q., Hou, X., Kong, W., Wei, L., Mao, X., Liu, J., Schnoor, J.L., Jiang, G., 2020. Metabolism of SCCPs and MCCPs in Suspension Rice Cells Based on Paired Mass Distance (PMD) Analysis. Environ. Sci. Technol. 54, 9990–9999.

  • Lendor, S., Olkowicz, M., Boyaci, E., Yu, M., Diwan, M., Hamani, C., Palmer, M., Reyes-Garcés, N., Gómez-Ríos, G.A., Pawliszyn, J., 2020. Investigation of Early Death-Induced Changes in Rat Brain by Solid Phase Microextraction via Untargeted High Resolution Mass Spectrometry: In Vivo versus Postmortem Comparative Study. ACS Chem. Neurosci. 11, 1827–1840.

  • Hou, X., Yu, M., Liu, A., Wang, X., Li, Y., Liu, J., Schnoor, J.L., Jiang, G., 2019. Glycosylation of Tetrabromobisphenol A in Pumpkin. Environ. Sci. Technol.

  • Roszkowska, A., Yu, M., Bessonneau, V., Ings, J., McMaster, M., Smith, R., Bragg, L., Servos, M., Pawliszyn, J., 2019. In vivo solid-phase microextraction sampling combined with metabolomics and toxicological studies for the non-lethal monitoring of the exposome in fish tissue. Environmental Pollution 249, 109–115.

  • Roszkowska, A., Yu, M., Bessonneau, V., Bragg, L., Servos, M., Pawliszyn, J., 2018. Tissue storage affects lipidome profiling in comparison to in vivo microsampling approach. Sci. Rep. 8, 6980.

  • Hou, X., Yu, M., Liu, A., Li, Y., Ruan, T., Liu, J., Schnoor, J.L., Jiang, G., 2018. Biotransformation of tetrabromobisphenol A dimethyl ether back to tetrabromobisphenol A in whole pumpkin plants. Environmental Pollution 241, 331–338.

  • Tian, Z., Vila, J., Yu, M., Bodnar, W., Aitken, M.D., 2018. Tracing the Biotransformation of Polycyclic Aromatic Hydrocarbons in Contaminated Soil Using Stable Isotope-Assisted Metabolomics. Environ. Sci. Technol. Lett.

  • Liu, Y., Liu, J., Yu, M., Zhou, Q., Jiang, G., 2018. Hydroxylated and methoxylated polybrominated diphenyl ethers in a marine food web of Chinese Bohai Sea and their human dietary exposure. Environmental Pollution 233, 604–611. doi:10.1016/j.envpol.2017.10.105

  • Lu, D., Liu, Q., Yu, M., Yang, X., Fu, Q., Zhang, X., Mu, Y., Jiang, G., 2017. Natural Silicon Isotopic Signatures Reveal the Sources of Airborne Fine Particulate Matter. Environ. Sci. Technol.

  • Hou, X., Zhang, H., Li, Y., Yu, M., Liu, J., Jiang, G., 2017. Bioaccumulation of hexachlorobutadiene in pumpkin seedlings after waterborne exposure. Environmental Science: Processes & Impacts 19, 1327–1335. doi:10.1039/C7EM00304H

  • Augusto Gomez-Rios, G., Vasiljevic, T., Gionfriddo, E., Yu, M., Pawliszyn, J., 2017. Towards on-site analysis of complex matrices by solid-phase microextraction-transmission mode coupled to a portable mass spectrometer via direct analysis in real time. Analyst. doi:10.1039/C7AN00718C

  • Chi, X., Liu, J., Yu, M., Xie, Z., Jiang, G., 2017. Analysis of bromophenols in various aqueous samples using solid phase extraction followed by HPLC-MS/MS. Talanta 164, 57–63. doi:10.1016/j.talanta.2016.11.010

  • Li, Y., Hou, X., Yu, M., Zhou, Q., Liu, J., Schnoor, J.L., Jiang, G., 2017. Dechlorination and chlorine rearrangement of 1,2,5,5,6,9,10-heptachlorodecane mediated by the whole pumpkin seedlings. Environmental Pollution 224, 524–531. doi:10.1016/j.envpol.2017.02.035

  • Liu, A., Qu, G., Yu, M., Liu, Y., Shi, J., Jiang, G., 2016. Tetrabromobisphenol-A/S and Nine Novel Analogs in Biological Samples from the Chinese Bohai Sea: Implications for Trophic Transfer. Environ. Sci. Technol. 50, 4203–4211. doi:10.1021/acs.est.5b06378

  • Liu, A., Tian, Y., Yin, N., Yu, M., Qu, G., Shi, J., Du, Y., Jiang, G., 2015. Characterization of Three Tetrabromobisphenol-S Derivatives in Mollusks from Chinese Bohai Sea: A Strategy for Novel Brominated Contaminants Identification. Scientific Reports 5, srep11741. doi:10.1038/srep11741

  • Liu, Q., Cheng, M., Long, Y., Yu, M., Wang, T., Jiang, G., 2014. Graphenized pencil lead fiber: Facile preparation and application in solid-phase microextraction. Journal of Chromatography A 1325, 1–7. doi:10.1016/j.chroma.2013.11.051

  • Liu, R., Ruan, T., Wang, T., Song, S., Yu, M., Gao, Y., Shao, J., Jiang, G., 2013. Trace analysis of mono-, di-, tri-substituted polyfluoroalkyl phosphates and perfluorinated phosphonic acids in sewage sludge by high performance liquid chromatography tandem mass spectrometry. Talanta 111, 170–177. doi:10.1016/j.talanta.2013.02.063

  • Liu, Y., Ruan, T., Lin, Y., Liu, A., Yu, M., Liu, R., Meng, M., Wang, Y., Liu, J., Jiang, G., 2017. Chlorinated Polyfluoroalkyl Ether Sulfonic Acids in Marine Organisms from Bohai Sea, China: Occurrence, Temporal Variations, and Trophic Transfer Behavior. Environ. Sci. Technol. 51, 4407–4414. doi:10.1021/acs.est.6b06593

  • Poole, J.J., Grandy, J.J., Yu, M., Boyaci, E., Gómez-Ríos, G.A., Reyes-Garcés, N., Bojko, B., Heide, H.V., Pawliszyn, J., 2017. Deposition of a Sorbent into a Recession on a Solid Support To Provide a New, Mechanically Robust Solid-Phase Microextraction Device. Anal. Chem. doi:10.1021/acs.analchem.7b01382 (Cover paper)

  • Qu, G., Liu, A., Wang, T., Zhang, C., Fu, J., Yu, M., Sun, J., Zhu, N., Li, Z., Wei, G., Du, Y., Shi, J., Liu, S., Jiang, G., 2013. Identification of Tetrabromobisphenol A Allyl Ether and Tetrabromobisphenol A 2,3-Dibromopropyl Ether in the Ambient Environment near a Manufacturing Site and in Mollusks at a Coastal Region. Environ. Sci. Technol. 47, 4760–4767. doi:10.1021/es3049916

  • Sun, J., Liu, J., Liu, Q., Ruan, T., Yu, M., Wang, Y., Wang, T., Jiang, G., 2013a. Hydroxylated polybrominated diphenyl ethers (OH-PBDEs) in biosolids from municipal wastewater treatment plants in China. Chemosphere 90, 2388–2395. doi:10.1016/j.chemosphere.2012.10.034

  • Sun, J., Liu, J., Liu, Y., Yu, M., Jiang, G., 2014. Reciprocal Transformation between Hydroxylated and Methoxylated Polybrominated Diphenyl Ethers in Young Whole Pumpkin Plants. Environ. Sci. Technol. Lett. 1, 236–241. doi:10.1021/ez500068q (Cover paper)

  • Sun, J., Liu, J., Yu, M., Wang, C., Sun, Y., Zhang, A., Wang, T., Lei, Z., Jiang, G., 2013b. In Vivo Metabolism of 2,2′,4,4′-Tetrabromodiphenyl Ether (BDE-47) in Young Whole Pumpkin Plant. Environ. Sci. Technol. 47, 3701–3707. doi:10.1021/es4003263

  • Tian, Y., Yu, M., Chen, J., Liu, C., Shi, J., Chen, H., Jiang, G., 2015. Real Time Online Correction of Mass Shifts and Intensity Fluctuations in Extractive Electrospray Ionization Mass Spectrometry. Anal. Chem. 87, 11962–11966. doi:10.1021/acs.analchem.5b04372

  • Zhang, H., Wang, Y., Sun, C., Yu, M., Gao, Y., Wang, T., Liu, J., Jiang, G., 2014. Levels and Distributions of Hexachlorobutadiene and Three Chlorobenzenes in Biosolids from Wastewater Treatment Plants and in Soils within and Surrounding a Chemical Plant in China. Environ. Sci. Technol. 48, 1525–1531. doi:10.1021/es405171t

  • Zhao, X., Yu, M., Xu, D., Liu, A., Hou, X., Hao, F., Long, Y., Zhou, Q., Jiang, G., 2017. Distribution, Bioaccumulation, Trophic Transfer, and Influences of CeO2 Nanoparticles in a Constructed Aquatic Food Web. Environ. Sci. Technol. 51, 5205–5214. doi:10.1021/acs.est.6b05875

Book chapter

  • Roszkowska, A., Yu, M., Pawliszyn, J., 2020. In Vivo SPME for Bioanalysis in Environmental Monitoring and Toxicology, in: Jiang, G., Li, X. (Eds.), A New Paradigm for Environmental Chemistry and Toxicology: From Concepts to Insights. Springer Singapore, Singapore, pp. 23–31.

Software Package

  • R package - rgabriel Gabriel Multiple Comparison Test and Plot the Confidence Interval on Barplot
  • R package - enviGCMS LC/GC-MS Data Analysis for Environmental Science
  • R package - pmd Paired Mass Distance Analysis for GC/LC-MS Based Non-Targeted Analysis
  • R package - enet network analysis for exposure study
  • R package - mzrtsim Raw data and peaks list simulation for GC/LC-MS based data
  • Shiny app - Simple SwiftKey This application is used to predict next words based on your input words.
  • Shiny app - JournalTone This application is used to explore new trend for certain keywords and journal by text mining for the title and abstract via data from PubMed.
  • Shiny app - XcmsPlus This application is used for visualization, DART, and Batch correction & simulation of metabolomics data.
  • Shiny app - MSCCP This application is used to quantitative analysis of Short Chain Chlorinated Paraffins (SCCPs).
  • Shiny app - Molecular isotope ratio tools This application is used to get molecular isotope ratio and related information.
  • Shiny app - SP-ICP-MS This application is used to get the distribution of nano-particles when you perform the analysis on ICP-MS.
  • Shiny app - ShinyBDE This application is used to show the database of PBDEs' RRTs on DB-5ms and prediction values by various machine learning algorithms.

Granted Patents

Metabolomics Data Analysis Workshop


Computer Skills

  • I use RMarkdown to layout my papers but sometimes I have to use Google Doc/TeX/Word and I am skilled at all of them;
  • Most of my data analysis is done under RStudio with RMarkdown and I think repeatability studies are important for every scientist and I know how to use Excel, origin, SPSS, Octave… but I just prefer R;
  • Beamer is simple and Powerpoint is beautiful but recently I found html5 could be a better option;
  • I use Zotero to manage my literature;
  • I learned C when I was a freshman then I also learned S, python and Matlab for simple programming in my research but I think shell is more powerful;
  • I could read structured codes and guess the usages of some functions by their names. 90% of the time, it works;

I love open source software!