Emma Schymanski
Emma Schymanski (born Emma Craven) is chemist known for her work identifying unknown organic compounds, particularly pollutants, and is an advocate for open science.
Education and career
Schymanski graduated with a B.Sc. in Chemistry and a B.E. in Environmental Engineering from the University of Western Australia in 2003.[1] While at the University of Western Australia, Schymanski combined chemistry and environmental engineering and used her 'interest in chemistry to help solve the complicated issues involved in contaminated sites assessment and remediation'.[1] As an undergraduate, she participated in the 2002 Nobel Laureate conference which brings Nobel laureates and young scientists together; Schymanski and Pia Sappl were the first students from the University of Western Australia to receive this invitation and possibly the first Australians.[2]
After college, Schymanski spent three years at Golder Associates in Perth as an environmental engineer[3] and then joined the Helmholtz Centre for Environmental Research in Leipzig Germany where she finished her Ph.D. in 2011.[3] Schymanski subsequent postdoctoral positions were at the Swiss Federal Institute of Aquatic Science and Technology (Eawag) and a Marie Curie Intra-European Postdoctoral Fellowship at École Polytechnique Fédérale de Lausanne (EPFL).[3] Schymanski is currently and Associate Professor at the University of Luxembourg where she is the head of the Environmental Cheminformatics Group.[4]
In 2021, Schymanski was interviewed by the Metabolomics Society article in MetaboNews and during the interview she describes her introduction to the field of metabolomics, the current strengths of the field, and potential future application of metabolomics research.[5]
Research
Schymanski's first research publications were as an undergraduate at the University of Western Australia, where she worked on developing new metal-containing polymers which resulted in three lead author publications.[6][7][8]
As a graduate student, Schymanski started work on using information on the fragments of organic compounds as a means to expand the identification of unknown compounds.[9] Schymanski then applied these novel methods to the identification of unknown organic compounds found in wastewater,[10] and used data collectively gathered by the NORMAN Association to define barriers to the identification of unknown organic compounds in water.[11]
In 2012, Schymanski and Steffen Neumann started the Critical Assessment of Small Molecule Identification (CASMI) contest that provided researchers with information about unknown organic compounds and challenged them to identify the compounds. {cite that}.
CASMI in 2016[12] in 2013[13][14] (looks like the contest ran from 2012 to 2017), started by
Schymanski is an advocate for open science and data sharing. Within the NORMAN network, a collaborative activity across Europe, North America, and Asia, Schymanski worked in 2011 with the team that established NORMAN MassBank,[15][16] which was a community-driven project to gather information about small molecules. In 2015, Schymanski expanded this type of data with the NORMAN Suspect List Exchange.[17] Schymanski has also worked to develop computational tools that allow the processing of complex high resolution mass spectrometry data[18] and sought to establish standards to consider the quality of the mass spectrometry data.[19] Schymanski's 2014 publication in Environmental Science & Technology[20] establishes a means to estimate confidence in the quality of unknown organic compound identifications, and has over 1000 citations as of 2021. In 2018, Schymanski considered this paper her greatest achievement because it established the standard for compound identification in metabolomics and encouraged community conversation about future of these tools.[21]
(2021) specific subset of PubChem for exposomics: PubChemLite, which can also be annotated to increase ability of researchers to identify unknown environmental compounds[22]
Schymanski's research into the exposome
Science 2020 paper[23],in Nature feature[24], and
2020 Science - tracking unknown compounds[25]
textbook on [26] (published in 2014)
Awards
- Royal Society of Western Australia, University Medal for outstanding student in natural and earth sciences (2003)[27]
- Society of Environmental Toxicology and Chemistry, Best Platform Presentation by a student (2008) [28]
- ATTRACT award[29] press release[30] FNR fellowship[31]
- The Analytical Scientist, Top 40 under 40 Power List (2018)[21]
Personal life
Schymanski is married to Stan Schymanski, an ecohydrologist.[32] and he has shared insight about dual career couples and their path to positions in Luxembourg.[33] They are the first dual career couple to both receive the FNR ATTRACT award.[30]
Publications
- ↑ 1.0 1.1 "Life and Science Physical Careers" (PDF). University of Western Australia. Unknown parameter
|url-status=ignored (help) - ↑ "Two of our best join the best in the world" (PDF). UWAnews. 21 (10). July 29, 2002. Archived from the original (PDF) on July 28, 2021. Retrieved May 22, 2021.
- ↑ 3.0 3.1 3.2 "What is in our water? Identification of "known" and "unknown" organic contaminants - EPFL". memento.epfl.ch. Retrieved 2021-05-21.
- ↑ Luxembourg, Université du. "Emma Schymanski". University of Luxembourg. Retrieved 2021-05-21.
- ↑ "Metabo Interview| Dr. Emma Schymanski" (PDF). MetaboNews. 11 (3). March 2021.
- ↑ Craven, Emma; Abu-Shandi, Khalid; Janiak, Christoph (2003). "Correlation between Solution and the Solid State: The pH Dependent Composition in the Ternary System [Co(H2O)6]2+ or [Ni(H2O)6]2+/Piperazine/Phosphate". Zeitschrift für anorganische und allgemeine Chemie. 629 (2): 195–201. doi:10.1002/zaac.200390031. ISSN 1521-3749.
- ↑ Craven, Emma; Zhang, Cungen; Janiak, Christoph; Rheinwald, Gerd; Lang, Heinrich (2003). "Synthesis, Structure and Solution Chemistry of (5, 5′-Dimethyl-2, 2′-bipyridine)(IDA)copper(II) and Structural Comparison With Aqua(IDA)(1, 10-phenanthroline)copper(II) (IDA = iminodiacetato)". Zeitschrift für anorganische und allgemeine Chemie (in Deutsch). 629 (1213): 2282–2290. doi:10.1002/zaac.200300223. ISSN 0044-2313.
- ↑ Craven, Emma; Mutlu, Esra; Lundberg, Daniel; Temizdemir, Savaş; Dechert, Sebastian; Brombacher, Horst; Janiak, Christoph (2002). "Thallium(I) complexes with modified poly(pyrazolyl)borate ligands—metal-ligand coordination and crystal packing". Polyhedron. 21 (5–6): 553–562. doi:10.1016/S0277-5387(01)01026-9.
- ↑ "The use of MS classifiers and structure generation to assist in the identification of unknowns in effect-directed analysis". Analytica Chimica Acta. 615 (2): 136–147. 2008-05-19. doi:10.1016/j.aca.2008.03.060. ISSN 0003-2670.
- ↑ Schymanski, Emma L.; Singer, Heinz P.; Longrée, Philipp; Loos, Martin; Ruff, Matthias; Stravs, Michael A.; Ripollés Vidal, Cristina; Hollender, Juliane (2014-02-04). "Strategies to Characterize Polar Organic Contamination in Wastewater: Exploring the Capability of High Resolution Mass Spectrometry". Environmental Science & Technology. 48 (3): 1811–1818. doi:10.1021/es4044374. ISSN 0013-936X.
- ↑ Schymanski, Emma L.; Singer, Heinz P.; Slobodnik, Jaroslav; Ipolyi, Ildiko M.; Oswald, Peter; Krauss, Martin; Schulze, Tobias; Haglund, Peter; Letzel, Thomas; Grosse, Sylvia; Thomaidis, Nikolaos S. (2015-08-01). "Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis". Analytical and Bioanalytical Chemistry. 407 (21): 6237–6255. doi:10.1007/s00216-015-8681-7. ISSN 1618-2650.
- ↑ Schymanski, Emma L.; Ruttkies, Christoph; Krauss, Martin; Brouard, Céline; Kind, Tobias; Dührkop, Kai; Allen, Felicity; Vaniya, Arpana; Verdegem, Dries; Böcker, Sebastian; Rousu, Juho (2017). "Critical Assessment of Small Molecule Identification 2016: automated methods". Journal of Cheminformatics. 9 (1): 22. doi:10.1186/s13321-017-0207-1. ISSN 1758-2946. PMC 5368104. PMID 29086042.
- ↑ Schymanski, Emma; Neumann, Steffen (2013-05-24). "CASMI: And the Winner is . ." Metabolites. 3 (2): 412–439. doi:10.3390/metabo3020412. ISSN 2218-1989. PMC 3901266. PMID 24957999.
- ↑ Schymanski, Emma; Neumann, Steffen (2013-06-25). "The Critical Assessment of Small Molecule Identification (CASMI): Challenges and Solutions". Metabolites. 3 (3): 517–538. doi:10.3390/metabo3030517. ISSN 2218-1989. PMC 3901296. PMID 24958137.
- ↑ Schulze, Tobias; Schymanski, Emma; Stravs, Michael; Neumann, Steffen; Krauss, Martin; Singer, Heinz; Hug, Christine; Gallampois, Christine; Hollender, Juliane; Slobodnik, Jaroslav; Brack, Werner (April 2011), NORMAN MassBankTowards a community-driven,open-access accurate mass spectral databasefor the identifi cation of emerging pollutants (PDF), NORMAN Network Bulletin, pp. 9–10 Unknown parameter
|url-status=ignored (help) - ↑ "2016 Annual Report of the ETH Board". 2016. Archived from the original on 2021-05-18. Retrieved 2021-05-22. Unknown parameter
|url-status=ignored (help) - ↑ NORMAN Network; Aalizadeh, Reza; Alygizakis, Nikiforos; Schymanski, Emma; Slobodnik, Jaroslav; Fischer, Stellan; Cirka, Lubos (2021-02-23), S0 | SUSDAT | Merged NORMAN Suspect List: SusDat, Zenodo, doi:10.5281/zenodo.2664077, retrieved 2021-05-22
- ↑ Stravs, Michael A.; Schymanski, Emma L.; Singer, Heinz P.; Hollender, Juliane (2013). "Automatic recalibration and processing of tandem mass spectra using formula annotation". Journal of Mass Spectrometry. 48 (1): 89–99. doi:10.1002/jms.3131. ISSN 1096-9888.
- ↑ Oberacher, Herbert; Sasse, Michael; Antignac, Jean-Philippe; Guitton, Yann; Debrauwer, Laurent; Jamin, Emilien L.; Schulze, Tobias; Krauss, Martin; Covaci, Adrian; Caballero-Casero, Noelia; Rousseau, Kathleen; Damont, Annelaure; Fenaille, François; Lamoree, Marja; Schymanski, Emma L. (2020). "A European proposal for quality control and quality assurance of tandem mass spectral libraries". Environmental Sciences Europe. 32 (1): 43. doi:10.1186/s12302-020-00314-9. ISSN 2190-4707.
- ↑ Schymanski, Emma L.; Jeon, Junho; Gulde, Rebekka; Fenner, Kathrin; Ruff, Matthias; Singer, Heinz P.; Hollender, Juliane (2014-02-18). "Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence". Environmental Science & Technology. 48 (4): 2097–2098. doi:10.1021/es5002105. ISSN 0013-936X.
- ↑ 21.0 21.1 "The Power List 2018: Emma Schymanski". The Analytical Scientist. 2018. Retrieved 2021-05-21. Unknown parameter
|url-status=ignored (help) - ↑ Schymanski, Emma L.; Kondić, Todor; Neumann, Steffen; Thiessen, Paul A.; Zhang, Jian; Bolton, Evan E. (2021-03-08). "Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag". Journal of Cheminformatics. 13 (1): 19. doi:10.1186/s13321-021-00489-0. ISSN 1758-2946. PMC PMC7938590 Check
|pmc=value (help). PMID 33685519 Check|pmid=value (help).CS1 maint: PMC format (link) - ↑ Vermeulen, Roel; Schymanski, Emma L.; Barabási, Albert-László; Miller, Gary W. (2020-01-24). "The exposome and health: Where chemistry meets biology". Science. 367 (6476): 392–396. doi:10.1126/science.aay3164. ISSN 0036-8075. PMC 7227413 Check
|pmc=value (help). PMID 31974245. - ↑ Lim, XiaoZhi (2019-02-06). "Tainted water: the scientists tracing thousands of fluorinated chemicals in our environment". Nature. 566 (7742): 26–29. doi:10.1038/d41586-019-00441-1.
- ↑ Escher, Beate I.; Stapleton, Heather M.; Schymanski, Emma L. (2020-01-24). "Tracking complex mixtures of chemicals in our changing environment". Science. 367 (6476): 388–392. doi:10.1126/science.aay6636. ISSN 0036-8075. PMC 7153918 Check
|pmc=value (help). PMID 31974244. - ↑ Kerber, Adalbert (2014). Mathematical chemistry and chemoinformatics : structure generation, elucidation, and quantitative structure-property relationships. Reinhard Laue, Markus Meringer, Christoph Rücker, Emma Schymanski. Berlin. ISBN 978-3-11-025407-5. OCLC 865012006. Search this book on
- ↑ (PDF) https://www.rswa.org.au/awards/student%20medalists/Student%20Medallists%201998%20to%202006.pdf. Unknown parameter
|url-status=ignored (help); Missing or empty|title=(help) - ↑ admin (2019-11-19). "Past Europe Award Winners". SETAC Awards. Retrieved 2021-05-21.
- ↑ "Environmental Cheminformatics to Identify Unknown Chemicals and their Effects". FNR – Luxembourg National Research Fund. 2018-12-13. Retrieved 2021-05-21.[permanent dead link]
- ↑ 30.0 30.1 Luxembourg, Université du. "Emma Schymanski awarded FNR ATTRACT fellowship". Université du Luxembourg. Retrieved 2021-05-21.
- ↑ "Emma Schymanski awarded FNR ATTRACT Fellowship". FNR – Luxembourg National Research Fund. 2018-10-17. Retrieved 2021-05-20.
- ↑ "MEET A LEAF: STAN Schymanski". AGU Ecohydrology. Retrieved 2021-05-21.
- ↑ "FNR ATTRACT Fellows - the people behind the science: Stan Schymanski". FNR – Luxembourg National Research Fund. 2018-11-22. Retrieved 2021-05-22.
External links
- Emma Schymanski publications indexed by Google Scholar
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