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Emma Schymanski

August 21, 2023

Emma Schymanski (born Emma Craven) is chemist known for her work identifying unknown organic compounds, particularly pollutants, and is an advocate for open science.

Emma Schymanski, 2022

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 to study contaminated sites that required 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's subsequent postdoctoral position was at the Swiss Federal Institute of Aquatic Science and Technology (Eawag) including a Marie Curie Intra-European Postdoctoral Fellowship.[3] Schymanski is currently an 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 applications of metabolomics research.[5]

Research

Schymanski's first research publications were from her undergraduate work when she worked on developing new metal-containing polymers which resulted in three lead author publications.[6][7][8]

As a graduate student, Schymanski started using information on the fragmentation pattern of organic compounds as a means to expand the identification of unknown compounds.[9] Schymanski 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] Identifying and tracking unknown organic compounds continues to be an avenue of research pursued by Schymanski[12] and she is a co-author on a 2014 textbook describing these methods.[13]

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 use automated computational tools identify the unknown compounds.[14][15] The Metabolomics Society highlighted the 2012 contest in their newsletter.[16] There have been multiple iterations of the contest, and Schymanski examined the results of the 2016 contest.[17]

Schymanski's research focuses on characterizing organic compounds found in wastewater[10][18] and exposomics, or the science of compounds that people are exposed to over their lifetimes.[19] Schymanski has developed a subset of PubChem for exposomics, PubChemLite, which can be annotated to increase ability of researchers to identify unknown environmental compounds.[20] Within this field, Schymanski is working to automate the identification of a group of fluorinated compounds called ‘per- and poly-fluoroalkyl substances’ (PFASs) in order to increase the ability of researchers to find unknown PFAS in the environment.[21]

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,[22][23] 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.[24] Schymanski has also worked to develop computational tools that allow the processing of complex high resolution mass spectrometry data[25] and sought to establish standards to consider the quality of the mass spectrometry data.[26] Schymanski's 2014 publication in Environmental Science & Technology[27] establishes a means to estimate confidence in the quality of unknown organic compound identifications and, as of 2021, has over 1000 citations. 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.[28]

Notable publications

 
Scholia has a profile for Emma L. Schymanski (Q27863244).
  • Schymanski, Emma L.; Jeon, Junho; Gulde, Rebekka; Fenner, Kathrin; Ruff, Matthias; Singer, Heinz P.; Hollender, Juliane (18 February 2014). "Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence". Environmental Science & Technology. 48 (4): 2097–2098. Bibcode:2014EnST...48.2097S. doi:10.1021/es5002105. ISSN 0013-936X. PMID 24476540.
  • 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. (1 August 2015). "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. hdl:10234/147867. ISSN 1618-2650. PMID 25976391. S2CID 29696368.

Awards

  • Royal Society of Western Australia, University Medal for outstanding student in natural and earth sciences (2003)[29]
  • Society of Environmental Toxicology and Chemistry, Best Platform Presentation by a student (2008)[30]
  • FNR ATTRACT Fellowship[31] for the development of new methods to identify unknown chemicals (2018)[32][33]
  • The Analytical Scientist, Top 40 under 40 Power List (2018)[28]

Personal life

Schymanski is married to Stan Schymanski, an ecohydrologist.[34] and he has shared insight about dual career couples and their path to positions in Luxembourg.[35] They are the first dual career couple to both receive the FNR ATTRACT award.[32]

Publications

  1. ^ a b "Life and Science Physical Careers" (PDF). University of Western Australia.{{cite web}}: CS1 maint: url-status (link)
  2. ^ "Two of our best join the best in the world" (PDF). UWAnews. Vol. 21, no. 10. 29 July 2002.
  3. ^ a b c "What is in our water? Identification of "known" and "unknown" organic contaminants - EPFL". memento.epfl.ch. Retrieved 21 May 2021.
  4. ^ Luxembourg, Université du. "Emma Schymanski". University of Luxembourg. Retrieved 21 May 2021.
  5. ^ "Metabo Interview| Dr. Emma Schymanski" (PDF). MetaboNews. Vol. 11, no. 3. March 2021.
  6. ^ 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.
  7. ^ 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 German). 629 (1213): 2282–2290. doi:10.1002/zaac.200300223. ISSN 0044-2313.
  8. ^ 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.
  9. ^ Schymanski, E.L.; Meinert, C.; Meringer, M.; Brack, W. (19 May 2008). "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. doi:10.1016/j.aca.2008.03.060. ISSN 0003-2670. PMID 18442519.
  10. ^ a b Schymanski, Emma L.; Singer, Heinz P.; Longrée, Philipp; Loos, Martin; Ruff, Matthias; Stravs, Michael A.; Ripollés Vidal, Cristina; Hollender, Juliane (4 February 2014). "Strategies to Characterize Polar Organic Contamination in Wastewater: Exploring the Capability of High Resolution Mass Spectrometry". Environmental Science & Technology. 48 (3): 1811–1818. Bibcode:2014EnST...48.1811S. doi:10.1021/es4044374. ISSN 0013-936X. PMID 24417318.
  11. ^ 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. (1 August 2015). "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. hdl:10234/147867. ISSN 1618-2650. PMID 25976391. S2CID 29696368.
  12. ^ Escher, Beate I.; Stapleton, Heather M.; Schymanski, Emma L. (24 January 2020). "Tracking complex mixtures of chemicals in our changing environment". Science. 367 (6476): 388–392. Bibcode:2020Sci...367..388E. doi:10.1126/science.aay6636. ISSN 0036-8075. PMC 7153918. PMID 31974244.
  13. ^ 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.{{cite book}}: CS1 maint: location missing publisher (link)
  14. ^ Schymanski, Emma; Neumann, Steffen (25 June 2013). "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.
  15. ^ Schymanski, Emma; Neumann, Steffen (24 May 2013). "CASMI: And the Winner is . . ". Metabolites. 3 (2): 412–439. doi:10.3390/metabo3020412. ISSN 2218-1989. PMC 3901266. PMID 24957999.
  16. ^ Forsythe, Ian (October 2012). "Critical Assessment of Small Molecule Identification: A new contest series". www.metabonews.ca. Retrieved 23 May 2021.{{cite web}}: CS1 maint: url-status (link)
  17. ^ 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.
  18. ^ Gago-Ferrero, Pablo; Schymanski, Emma L.; Bletsou, Anna A.; Aalizadeh, Reza; Hollender, Juliane; Thomaidis, Nikolaos S. (20 October 2015). "Extended Suspect and Non-Target Strategies to Characterize Emerging Polar Organic Contaminants in Raw Wastewater with LC-HRMS/MS". Environmental Science & Technology. 49 (20): 12333–12341. Bibcode:2015EnST...4912333G. doi:10.1021/acs.est.5b03454. hdl:10795/3064. ISSN 0013-936X. PMID 26418421.
  19. ^ Vermeulen, Roel; Schymanski, Emma L.; Barabási, Albert-László; Miller, Gary W. (24 January 2020). "The exposome and health: Where chemistry meets biology". Science. 367 (6476): 392–396. Bibcode:2020Sci...367..392V. doi:10.1126/science.aay3164. ISSN 0036-8075. PMC 7227413. PMID 31974245.
  20. ^ Schymanski, Emma L.; Kondić, Todor; Neumann, Steffen; Thiessen, Paul A.; Zhang, Jian; Bolton, Evan E. (8 March 2021). "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 7938590. PMID 33685519.
  21. ^ Lim, XiaoZhi (6 February 2019). "Tainted water: the scientists tracing thousands of fluorinated chemicals in our environment". Nature. 566 (7742): 26–29. Bibcode:2019Natur.566...26L. doi:10.1038/d41586-019-00441-1. PMID 30728524. S2CID 59615914.
  22. ^ 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{{citation}}: CS1 maint: url-status (link)
  23. ^ "2016 Annual Report of the ETH Board". 2016.{{cite web}}: CS1 maint: url-status (link)
  24. ^ NORMAN Network; Aalizadeh, Reza; Alygizakis, Nikiforos; Schymanski, Emma; Slobodnik, Jaroslav; Fischer, Stellan; Cirka, Lubos (23 February 2021), "Suspect Screening", S0 | SUSDAT | Merged NORMAN Suspect List: SusDat, doi:10.5281/zenodo.2664077, retrieved 22 May 2021
  25. ^ 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. Bibcode:2013JMSp...48...89S. doi:10.1002/jms.3131. ISSN 1096-9888. PMID 23303751.
  26. ^ 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. S2CID 212691912.
  27. ^ Schymanski, Emma L.; Jeon, Junho; Gulde, Rebekka; Fenner, Kathrin; Ruff, Matthias; Singer, Heinz P.; Hollender, Juliane (18 February 2014). "Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence". Environmental Science & Technology. 48 (4): 2097–2098. Bibcode:2014EnST...48.2097S. doi:10.1021/es5002105. ISSN 0013-936X. PMID 24476540.
  28. ^ a b "The Power List 2018: Emma Schymanski". The Analytical Scientist. 2018. Retrieved 21 May 2021.{{cite web}}: CS1 maint: url-status (link)
  29. ^ (PDF) https://www.rswa.org.au/awards/student%20medalists/Student%20Medallists%201998%20to%202006.pdf. {{cite web}}: Missing or empty |title= (help)CS1 maint: url-status (link)
  30. ^ admin (19 November 2019). "Past Europe Award Winners". SETAC Awards. Retrieved 21 May 2021.
  31. ^ "Environmental Cheminformatics to Identify Unknown Chemicals and their Effects". FNR – Luxembourg National Research Fund. 13 December 2018. Retrieved 21 May 2021.
  32. ^ a b Luxembourg, Université du. "Emma Schymanski awarded FNR ATTRACT fellowship". Université du Luxembourg. Retrieved 21 May 2021.
  33. ^ "Emma Schymanski awarded FNR ATTRACT Fellowship". FNR – Luxembourg National Research Fund. 17 October 2018. Retrieved 20 May 2021.
  34. ^ "MEET A LEAF: STAN Schymanski". AGU Ecohydrology. Retrieved 21 May 2021.
  35. ^ "FNR ATTRACT Fellows - the people behind the science: Stan Schymanski". FNR – Luxembourg National Research Fund. 22 November 2018. Retrieved 22 May 2021.

External links

August 21, 2023
emma, schymanski, born, emma, craven, chemist, known, work, identifying, unknown, organic, compounds, particularly, pollutants, advocate, open, science, 2022, contents, education, career, research, notable, publications, awards, personal, life, publications, e. Emma Schymanski born Emma Craven is chemist known for her work identifying unknown organic compounds particularly pollutants and is an advocate for open science Emma Schymanski 2022 Contents 1 Education and career 2 Research 3 Notable publications 4 Awards 5 Personal life 6 Publications 7 External linksEducation and career EditSchymanski 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 to study contaminated sites that required 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 s subsequent postdoctoral position was at the Swiss Federal Institute of Aquatic Science and Technology Eawag including a Marie Curie Intra European Postdoctoral Fellowship 3 Schymanski is currently an 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 applications of metabolomics research 5 Research EditSchymanski s first research publications were from her undergraduate work when she worked on developing new metal containing polymers which resulted in three lead author publications 6 7 8 As a graduate student Schymanski started using information on the fragmentation pattern of organic compounds as a means to expand the identification of unknown compounds 9 Schymanski 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 Identifying and tracking unknown organic compounds continues to be an avenue of research pursued by Schymanski 12 and she is a co author on a 2014 textbook describing these methods 13 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 use automated computational tools identify the unknown compounds 14 15 The Metabolomics Society highlighted the 2012 contest in their newsletter 16 There have been multiple iterations of the contest and Schymanski examined the results of the 2016 contest 17 Schymanski s research focuses on characterizing organic compounds found in wastewater 10 18 and exposomics or the science of compounds that people are exposed to over their lifetimes 19 Schymanski has developed a subset of PubChem for exposomics PubChemLite which can be annotated to increase ability of researchers to identify unknown environmental compounds 20 Within this field Schymanski is working to automate the identification of a group of fluorinated compounds called per and poly fluoroalkyl substances PFASs in order to increase the ability of researchers to find unknown PFAS in the environment 21 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 22 23 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 24 Schymanski has also worked to develop computational tools that allow the processing of complex high resolution mass spectrometry data 25 and sought to establish standards to consider the quality of the mass spectrometry data 26 Schymanski s 2014 publication in Environmental Science amp Technology 27 establishes a means to estimate confidence in the quality of unknown organic compound identifications and as of 2021 has over 1000 citations 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 28 Notable publications Edit Scholia has a profile for Emma L Schymanski Q27863244 Schymanski Emma L Jeon Junho Gulde Rebekka Fenner Kathrin Ruff Matthias Singer Heinz P Hollender Juliane 18 February 2014 Identifying Small Molecules via High Resolution Mass Spectrometry Communicating Confidence Environmental Science amp Technology 48 4 2097 2098 Bibcode 2014EnST 48 2097S doi 10 1021 es5002105 ISSN 0013 936X PMID 24476540 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 1 August 2015 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 hdl 10234 147867 ISSN 1618 2650 PMID 25976391 S2CID 29696368 Awards EditRoyal Society of Western Australia University Medal for outstanding student in natural and earth sciences 2003 29 Society of Environmental Toxicology and Chemistry Best Platform Presentation by a student 2008 30 FNR ATTRACT Fellowship 31 for the development of new methods to identify unknown chemicals 2018 32 33 The Analytical Scientist Top 40 under 40 Power List 2018 28 Personal life EditSchymanski is married to Stan Schymanski an ecohydrologist 34 and he has shared insight about dual career couples and their path to positions in Luxembourg 35 They are the first dual career couple to both receive the FNR ATTRACT award 32 Publications Edit a b Life and Science Physical Careers PDF University of Western Australia a href Template Cite web html title Template Cite web cite web a CS1 maint url status link Two of our best join the best in the world PDF UWAnews Vol 21 no 10 29 July 2002 a b c What is in our water Identification of known and unknown organic contaminants EPFL memento epfl ch Retrieved 21 May 2021 Luxembourg Universite du Emma Schymanski University of Luxembourg Retrieved 21 May 2021 Metabo Interview Dr Emma Schymanski PDF MetaboNews Vol 11 no 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 fur 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 fur anorganische und allgemeine Chemie in German 629 1213 2282 2290 doi 10 1002 zaac 200300223 ISSN 0044 2313 Craven Emma Mutlu Esra Lundberg Daniel Temizdemir Savas 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 Schymanski E L Meinert C Meringer M Brack W 19 May 2008 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 doi 10 1016 j aca 2008 03 060 ISSN 0003 2670 PMID 18442519 a b Schymanski Emma L Singer Heinz P Longree Philipp Loos Martin Ruff Matthias Stravs Michael A Ripolles Vidal Cristina Hollender Juliane 4 February 2014 Strategies to Characterize Polar Organic Contamination in Wastewater Exploring the Capability of High Resolution Mass Spectrometry Environmental Science amp Technology 48 3 1811 1818 Bibcode 2014EnST 48 1811S doi 10 1021 es4044374 ISSN 0013 936X PMID 24417318 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 1 August 2015 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 hdl 10234 147867 ISSN 1618 2650 PMID 25976391 S2CID 29696368 Escher Beate I Stapleton Heather M Schymanski Emma L 24 January 2020 Tracking complex mixtures of chemicals in our changing environment Science 367 6476 388 392 Bibcode 2020Sci 367 388E doi 10 1126 science aay6636 ISSN 0036 8075 PMC 7153918 PMID 31974244 Kerber Adalbert 2014 Mathematical chemistry and chemoinformatics structure generation elucidation and quantitative structure property relationships Reinhard Laue Markus Meringer Christoph Rucker Emma Schymanski Berlin ISBN 978 3 11 025407 5 OCLC 865012006 a href Template Cite book html title Template Cite book cite book a CS1 maint location missing publisher link Schymanski Emma Neumann Steffen 25 June 2013 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 Schymanski Emma Neumann Steffen 24 May 2013 CASMI And the Winner is Metabolites 3 2 412 439 doi 10 3390 metabo3020412 ISSN 2218 1989 PMC 3901266 PMID 24957999 Forsythe Ian October 2012 Critical Assessment of Small Molecule Identification A new contest series www metabonews ca Retrieved 23 May 2021 a href Template Cite web html title Template Cite web cite web a CS1 maint url status link Schymanski Emma L Ruttkies Christoph Krauss Martin Brouard Celine Kind Tobias Duhrkop Kai Allen Felicity Vaniya Arpana Verdegem Dries Bocker 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 Gago Ferrero Pablo Schymanski Emma L Bletsou Anna A Aalizadeh Reza Hollender Juliane Thomaidis Nikolaos S 20 October 2015 Extended Suspect and Non Target Strategies to Characterize Emerging Polar Organic Contaminants in Raw Wastewater with LC HRMS MS Environmental Science amp Technology 49 20 12333 12341 Bibcode 2015EnST 4912333G doi 10 1021 acs est 5b03454 hdl 10795 3064 ISSN 0013 936X PMID 26418421 Vermeulen Roel Schymanski Emma L Barabasi Albert Laszlo Miller Gary W 24 January 2020 The exposome and health Where chemistry meets biology Science 367 6476 392 396 Bibcode 2020Sci 367 392V doi 10 1126 science aay3164 ISSN 0036 8075 PMC 7227413 PMID 31974245 Schymanski Emma L Kondic Todor Neumann Steffen Thiessen Paul A Zhang Jian Bolton Evan E 8 March 2021 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 7938590 PMID 33685519 Lim XiaoZhi 6 February 2019 Tainted water the scientists tracing thousands of fluorinated chemicals in our environment Nature 566 7742 26 29 Bibcode 2019Natur 566 26L doi 10 1038 d41586 019 00441 1 PMID 30728524 S2CID 59615914 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 a href Template Citation html title Template Citation citation a CS1 maint url status link 2016 Annual Report of the ETH Board 2016 a href Template Cite web html title Template Cite web cite web a CS1 maint url status link NORMAN Network Aalizadeh Reza Alygizakis Nikiforos Schymanski Emma Slobodnik Jaroslav Fischer Stellan Cirka Lubos 23 February 2021 Suspect Screening S0 SUSDAT Merged NORMAN Suspect List SusDat doi 10 5281 zenodo 2664077 retrieved 22 May 2021 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 Bibcode 2013JMSp 48 89S doi 10 1002 jms 3131 ISSN 1096 9888 PMID 23303751 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 Francois 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 S2CID 212691912 Schymanski Emma L Jeon Junho Gulde Rebekka Fenner Kathrin Ruff Matthias Singer Heinz P Hollender Juliane 18 February 2014 Identifying Small Molecules via High Resolution Mass Spectrometry Communicating Confidence Environmental Science amp Technology 48 4 2097 2098 Bibcode 2014EnST 48 2097S doi 10 1021 es5002105 ISSN 0013 936X PMID 24476540 a b The Power List 2018 Emma Schymanski The Analytical Scientist 2018 Retrieved 21 May 2021 a href Template Cite web html title Template Cite web cite web a CS1 maint url status link PDF https www rswa org au awards student 20medalists Student 20Medallists 201998 20to 202006 pdf a href Template Cite web html title Template Cite web cite web a Missing or empty title help CS1 maint url status link admin 19 November 2019 Past Europe Award Winners SETAC Awards Retrieved 21 May 2021 Environmental Cheminformatics to Identify Unknown Chemicals and their Effects FNR Luxembourg National Research Fund 13 December 2018 Retrieved 21 May 2021 a b Luxembourg Universite du Emma Schymanski awarded FNR ATTRACT fellowship Universite du Luxembourg Retrieved 21 May 2021 Emma Schymanski awarded FNR ATTRACT Fellowship FNR Luxembourg National Research Fund 17 October 2018 Retrieved 20 May 2021 MEET A LEAF STAN Schymanski AGU Ecohydrology Retrieved 21 May 2021 FNR ATTRACT Fellows the people behind the science Stan Schymanski FNR Luxembourg National Research Fund 22 November 2018 Retrieved 22 May 2021 External links EditEmma Schymanski publications indexed by Google Scholar Retrieved from https en wikipedia org w index php title Emma Schymanski amp oldid 1166654346, wikipedia, wiki, book, books, library,

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