"Estonian Science Foundation Research Grant" project ETF7127
ETF7127 "Study of electrospray ionization (1.01.2007−31.12.2010)", Koit Herodes, University of Tartu, Faculty of Physics and Chemistry, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University, University of Tartu, Faculty of Science and Technology (old).
ETF7127
Elektropihustusionisatsiooni uurimine
Study of electrospray ionization
1.01.2007
31.12.2010
Estonian Science Foundation Research Grant
Field of researchSubfieldCERCS specialtyFrascati Manual specialtyPercent
4. Natural Sciences and Engineering4.11. Chemistry and Chemical TechnologyP300 Analytical chemistry 1.3. Chemical sciences (chemistry, other allied subjects)100,0
InstitutionRolePeriod
University of Tartu, Faculty of Physics and Chemistrycoordinaator01.01.2007−31.12.2007
University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu Universitycoordinaator01.01.2008−31.12.2010
University of Tartu, Faculty of Science and Technology (old)coordinaator01.01.2008−31.12.2010
PeriodSum
01.01.2007−31.12.2007232 800,00 EEK (14 878,63 EUR)
01.01.2008−31.12.2008232 800,00 EEK (14 878,63 EUR)
01.01.2009−31.12.2009223 488,00 EEK (14 283,49 EUR)
01.01.2010−31.12.2010203 160,00 EEK (12 984,29 EUR)
57 025,04 EUR
52765,46

Elektropihustusionisatsiooni liides (ESI) on kaasaegne vahend lahuse kujul olevate proovide sisestamiseks massispektromeetrisse (MS). ESI ionisatsiooni protsess on keeruline, raskesti ennustatav ja sõltub väga paljudest parameetritest. Instrumentaalsete parameetrite kõrval tuleb arvestada keemilistega: - analüüdi struktuur, happe-aluse omadused, polaarsus jmt. - analüüdi lahustamiseks kasutatud solvendi omadused (polaarsus, keemistemperatuur jne). Käesolevas projektis pakume me välja ESI ionisatsiooni efektiivsuse kvantitatiivse määramise meetodi ja plaanime koostada skaala erinevate ainete ESI ionisatsiooni efektiivsustest. Leitud ionisatsiooni efektiivsusi on kavas seostada ainete ja mobiilfaasi omadustega ning seeläbi luua võimalused uute ainete ionisatsiooniefektiivsuste ennustamiseks. Projekti tulemusena loodav ionisatsiooni efektiivsuse skaala on kasutatav ainete LC-MS analüüsiks sobivuse hindamisel. Seosed ionisatsiooni efektiivsuse ja solvendi omaduste vahel võimaldavad leida parimaid tingimusi LC-MS analüüside läbiviimiseks. Nimetatud tulemused aitavad vähendada LC-MS analüüsimeetodite väljatöötamisele kuluvat aega ning parandada analüüside määramispiiri.
Electrospray ionization intersface (ESI) is modern technigue of introduction analyte solutions into mass-spectrometers (MS). ESI ionization process is complicated, ionization is hard to predict and depends on a variety of parameters. Along with instrumental parameters one has to consider the chemical ones: - properties of analyte (structure, acid-base properties, polarity etc.) - properties of solvent used for the introduction of analyte (polaarsus, boiling point etc.) In the current project we propose a method for the quantitative determination of ESI ionization efficiency and we plan to construct a scale of ESI ionization efficiencies for several compounds. An attempt will be made to correlate the determined ionization efficiency values with the properties of the compounds and solvents. Such correlations would enable to predict the ionization efficiencies of new compounds. The scale of ESI ionization efficiencies created during the project can be used to assess whether some new substance can be analyzed by LC-MS or not. Relationships between the ionization efficiency and solvent properties help to optimize conditions for LC-MS analysis. As a result time required for LC-MS method development reduces and of limits of detection improve.

Principal investigator (1)

PersonDegreeInstitution and occupationCVPeriod
Koit HerodesDoctor's DegreeEST / ENG01.01.2007−31.12.2009

Senior research staff (13)

PersonDegreeInstitution and occupationCVPeriod
Ragne AulingMaster's DiplomaEST / ENG01.09.2007−18.06.2009
Erik BerlinMaster's DiplomaEST / ENG01.09.2009−31.12.2009
Klodian DhoskaDoctor's DegreeEST / ENG01.02.2009−31.12.2009
Irja HelmDoctor's DegreedoktorantEST / ENG01.01.2007−31.12.2009
Lauri JalukseDoctor's DegreeEST / ENG01.01.2007−31.12.2007
Sergei JurtšenkoDoctor's DegreeEST / ENG01.01.2007−31.12.2009
Karin KipperDoctor's DegreekeemikEST / ENG01.01.2008−31.12.2009
Eve KoortDoctor's Degreeanalüütilise ja füüsikalise keemia teadurEST / ENG01.01.2007−31.12.2008
Anneli Kruve-ViilDoctor's DegreekeemikEST / ENG01.01.2007−31.12.2009
Allan KünnapasMaster's DegreeEST / ENG01.01.2007−31.12.2009
Merit OssMaster's DiplomaUniversity of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University, Chair of Analytical Chemistry, Other staff (1,00)EST / ENG01.01.2007−31.12.2009
Riin RebaneDoctor's DegreekeemikEST / ENG01.01.2007−31.12.2009
Kristina VirroMaster's DegreedirektorEST / ENG01.01.2007−31.12.2008
Publications
Publications
Rebane, R.; Leito, I.; Yurchenko, S.; Herodes, K. (2010). A review of analytical techniques for determination of Sudan I–IV dyes in food matrixes. Journal of Chromatography A, 1217 (17), 2747−2757.10.1016/j.chroma.2010.02.038.
Rebane, R.; Herodes, K. (2010). A sensitive method for free amino acids analysis by liquid chromatography with ultraviolet and mass spectrometric detection using precolumn derivatization with diethyl ethoxymethylenemalonate: Application to the honey analysis. Analytica Chimica Acta, 672, 79−84.10.1016/j.aca.2010.04.014.
Oss, M.; Kruve, A.; Herodes, K.; Leito, I. (2010). Electrospray ionization efficiency scale of organic compounds. Analytical Chemistry, 82 (7), 2865−2872.dx.doi.org/10.1021/ac902856t.
Kruve, A.; Herodes, K.; Leito, I. (2010). Electrospray ionization matrix effect as an uncertainty source in HPLC/ESI-MS pesticide residue analysis. JOURNAL OF AOAC INTERNATIONAL, 93, 306−314.
Kruve, Anneli; Herodes, Koit; Leito, Ivo. (2010). Optimization of electrospray interface and quadrupole ion trap mass spectrometer parameters in pesticide liquid chromatography/electrospray ionization mass spectrometry analysis. Rapid Communications in Mass Spectrometry, 24 (7), 919−926.10.1002/rcm.4470.
Lillenberg, M.; Yurchenko, S.; Kipper, K.; Herodes, K.; Pihl, V.; Lõhmus, R.; Ivask, M.; Kuu, A. ; Kutti, S.; Litvin, S. V.; Nei, L. (2010). Presence of fluoroquinolones and sulfonamides in urban sewage sludge and their degradation as a result of composting. International Journal of Environmental Science and Technology, 7 (2), 307−312.
Leito, I.; Oss, M.; Kruve, A.; Herodes, K. (2010). Electrospray ionization efficiency scale of organic compounds. 14th NORDIC MS CONFERENCE; Uppsala, Sweden; 18-20 August, 2010: 14th NORDIC MS CONFERENCE; Uppsala, Sweden; 18-20 August, 2010.
Kruve, A.; Herodes, K.; Leito, I. (2011). Accounting for matrix effects of pesticide residue liquid chromatography/electrospray ionisation mass spectrometric determination by treatment of background mass spectra with chemometric tools. Rapid Communications in Mass Spectrometry, x−x [forthcoming].
Kipper, Karin; Herodes, Koit; Lillenberg, Merike; Nei, Lembit ; Haiba, Egge; Litvin, Sandra V (2010). Plant Uptake of some Pharmaceuticals Commonly Present in Sewage Sludge Compost. In: Proceedings of 2nd International Conference on Chemical, Biological and Environmental Engineerin, 261−264.
Kruve, A.; Leito, I.; Herodes, K. (2009). Combating matrix effects in LC/ESI/MS: The extrapolative dilution approach. Analytica Chimica Acta, 651 (1), 75−80.10.1016/j.aca.2009.07.060.
Lillenberg, M.; Yurchenko, S.; Kipper, K.; Herodes, K..; Pihl, V.; Sepp, K.; Lõhmus, R.; Nei, L. (2009). Simultaneous determination of fluoroquinolones, sulfonamides and tetracyclines in sewage sludge by pressurized liquid extraction and liquid chromatography electrospray ionization-mass spectrometry. Journal of Chromatography A, 1216, 5949−5954.10.1016/j.chroma.2009.06.029.
Rebane, R.; Herodes, K. (2008). Evaluation of the Botanical Origin of Estonian Uni- and Polyfloral Honeys by Amino Acid Content. Journal of Agricultural and Food Chemistry , 56 (22), 10716−10720.10.1021/jf8018968.
Kruve, A.; Künnapas, A.; Herodes, K.; Leito, I. (2008). Matrix effects in pesticide multi-residue analysis by liquid chromatography-mass spectrometry. Journal of Chromatography A, 1187, 58−66.
Leito, I.; Herodes, K.; Huopolainen, M.; Virro, K.; Künnapas, A.; Kruve, A.; Tanner, R. (2008). Towards the electrospray ionization mass spectrometry ionization efficiency scale of organic compounds. Rapid Communications in Mass Spectrometry, 22 (3), 379−384.10.1002/rcm.3371.
Mölder, K.; Künnapas, A.; Herodes, K.; Leito, I. (2007). “Fast peaks” in chromatograms of Sudan dyes. Journal of Chromatography A, 1160, 227−234.10.1016/j.chroma.2007.05.052.
Supervision
Supervision
Ragne Auling, Master's Degree, 2009, (sup) Anneli Kruve; Koit Herodes, Development of LC-MS Method for Determination of Glyphosate Residue in Wheat, University of Tartu.
Merit Oss, Master's Degree, 2008, (sup) Ivo Leito; Koit Herodes, Orgaaniliste ainete ESI-ionisatsiooniefektiivsuste kvantitatiivne määramine, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University, Chair of Analytical Chemistry.
Riin Rebane, Master's Degree, 2008, (sup) Mete aminohappelise koostise määramine HPLC meetodiga - metoodika väljatöötamine ja tulemuste analüüs (Determination of amino acid content of honey by HPLC - method development and analysis of results), University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Anneli Kruve, Master's Degree, 2007, (sup) Koit Herodes; Ivo Leito, Maatriksefektid pestitsiidide LC/ESI/MS analüüsil. Proovide ettevalmistusmeetodite võrdlus (Matrix effects in LC/ESI/MS analysis of pesticide residues. Comparison of sample preparation methods), University of Tartu, Faculty of Physics and Chemistry.
Allan Künnapas, Master's Degree, 2007, (sup) Koit Herodes, Pestitsiidijääkide LC-MS analüüsi proovi ettevalmistusmetoodikate võrdlemine (Comparison of sample preparation methods for LC-MS pesticide residues analysis), University of Tartu, Faculty of Physics and Chemistry.