"Targeted Funding" project SF0180061s08
SF0180061s08 "Development and applications of measurement methods of chemical and physical parameters of molecules and molecular systems (1.01.2008−31.12.2013)", Ivo Leito, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
SF0180061s08
Molekulide ja molekulaarsüsteemide keemiliste ja füüsikaliste parameetrite mõõtemeetodite arendus ja rakendused
Development and applications of measurement methods of chemical and physical parameters of molecules and molecular systems
1.01.2008
31.12.2013
Targeted Funding
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)50,0
4. Natural Sciences and Engineering4.11. Chemistry and Chemical TechnologyP400 Physical chemistry 1.3. Chemical sciences (chemistry, other allied subjects)50,0
PeriodSum
01.01.2008−31.12.20081 620 000,00 EEK (103 536,87 EUR)
01.01.2009−31.12.20091 475 136,00 EEK (94 278,37 EUR)
01.01.2010−31.12.20101 444 800,00 EEK (92 339,55 EUR)
01.01.2011−31.12.201188 920,00 EUR
01.01.2012−31.12.201288 920,00 EUR
01.01.2013−31.12.201388 920,00 EUR
556 914,79 EUR

Taotlus keskendub mõõtemeetodite arendusele ja rakendustele järgmistes valdkondades: 1. Hapete ja aluste tugevuse (pKa väärtuste) määramine erinevates solventides (MeCN, DMSO, THF, 1,2-dikloroetaan, heptaan, ioonsed vedelikud, vesi) eesmärgiga luua või laiendada kooskõlalisi happelisuse ja aluselisuse skaalasid. Solvendiefektide analüüs. 2. Orgaanilised saasteained toidus ja keskkonnas kasutades kromatograafilisi ja MS meetodeid (LC-MS, GC-MS) ja proovide ettevalmistusmeetodid (SPE, PLE jne). 3. Analüütide ionisatsiooniefektiivsused (logRIE parameetrid) ESI ioonallikas ja maatriksefektid LC-ESI-MS juures. Strateegia väljaarendamine maatriksefekti elimineerimiseks või arvesse võtmiseks. logRIE parameetri arendamine üldiseks deskriptoriks QSPR jaoks. 4. Kulonomeetrilise lahustunud hapniku määramise meetodi loomine ning primaarmeetodiks arendamine. Loodav meetod saab olema amperomeetrilise lahustunud hapniku määramise baasmeetodiks.
This proposal concentrates on developing methods and applications for the following measurements: 1. Strengths of acids and bases (pKa values) in different solvents (MeCN, DMSO, THF, 1,2-dichloroethane, heptane, ionic liquids, water) with the aim of setting up or extending accurate acidity and basicity scales in these media. Solvent effects on acid-base properties. 2. Organic contaminants in food and environment using chromatographic and MS methods (LC-MS, GC-MS) and sample preparation methods (SPE, PLE, etc). 3. Ionization efficiencies (logRIE parameters) of different analytes in ESI ion source of ESI MS. Matrix effect in LC-ESI-MS analysis. Developing a strategy to eliminate the matrix effect or to take it into account. Developing the logRIE parameter into a general descriptor for QSPR. 4. Coulometric method for dissolved oxygen determination with the aim of developing it into a primary method that would provide basis for the conventional amperometric measurements.

Principal investigator (1)

PersonDegreeInstitution and occupationCVPeriod
Ivo LeitoDoctor's DegreeEST / ENG01.01.2008−31.12.2013

Senior research staff (10)

PersonDegreeInstitution and occupationCVPeriod
Irja HelmDoctor's DegreeEST / ENG01.01.2008−31.12.2013
Koit HerodesDoctor's DegreeEST / ENG01.01.2008−31.12.2013
Lauri JalukseDoctor's DegreeEST / ENG01.01.2008−31.12.2013
Sergei JurtšenkoDoctor's DegreeEST / ENG01.01.2008−31.12.2013
Eve KoortDoctor's DegreeEST / ENG01.01.2008−31.08.2010
Juta KoppelDoctor's DegreeEST / ENG01.03.2008−31.12.2011
Anneli Kruve-ViilDoctor's DegreeEST / ENG01.01.2008−31.12.2013
Viljar PihlDoctor's DegreeEST / ENG01.01.2008−31.12.2013
Signe VahurDoctor's DegreeEST / ENG01.01.2011−31.12.2013
Martin VilbasteDoctor's DegreeEST / ENG01.01.2010−31.12.2013

Other research staff (17)

PersonDegreeInstitution and occupationCVPeriod
Hanno EvardDoctor's DegreeEST / ENG01.01.2008−31.12.2013
Irja HelmDoctor's DegreeEST / ENG01.01.2009−31.12.2012
Irja HelmDoctor's DegreeEST / ENG01.01.2009−31.12.2013
Sandip Ashokrao KadamDoctor's DegreeEST / ENG01.01.2008−31.12.2013
Karl KaupmeesDoctor's DegreeEST / ENG01.01.2011−31.12.2011
Karin KipperDoctor's DegreeEST / ENG01.01.2009−31.12.2012
Anneli Kruve-ViilDoctor's DegreeEST / ENG01.01.2008−31.12.2012
Anneli Kruve-ViilDoctor's DegreeEST / ENG01.01.2008−01.01.2013
Asko LaanisteDoctor's DegreeEST / ENG01.01.2008−31.12.2013
Elin RaamatMaster's DiplomaEST / ENG01.01.2010−31.12.2011
Riin RebaneDoctor's DegreeEST / ENG01.01.2009−31.12.2012
Gert SuurkuuskMaster's DiplomaEST / ENG01.01.2008−31.12.2013
Anu TeearuDoctor's DegreeEST / ENG01.01.2008−31.12.2013
Signe VahurDoctor's DegreeEST / ENG01.01.2008−03.05.2010
Martin VilbasteDoctor's DegreeEST / ENG01.01.2008−31.12.2012
Martin VilbasteDoctor's DegreeEST / ENG01.01.2008−01.01.2013
Kristina VirroMaster's DegreeEST / ENG01.01.2008−31.12.2013
Projects
Project
ETF5475; "Mõõtemääramatuse arvutamise meetodid komplekssetele keemilise analüüsi protseduuridele"; Ivo Leito;
ETF5800; "Kvantitatiivsed kooskõlalised happelisuse ja aluselisuse skaalad keskmise ja madala polaarsusega lahustites ja gaasifaasis"; Ivo Leito;
ETF7127; "Elektropihustusionisatsiooni uurimine"; Koit Herodes;
ETF8572; "Ionisatsiooni efektiivsus ESI-MS analüüsil"; Koit Herodes;
LLOKT08016; "HPLC ja LC-MS metoodikate arendamine pestitsiidijääkide määramiseks toidus ja toidutoormes. Analüüside kvaliteedi tagamine."; Koit Herodes;
LLOKT10062; "Töökeskkonna füüsikaliste ohutegurite parameetrite mõõtmise juhendmaterjali väljatöötamine ning tutvustamine ühel infoseminaril"; Olev Saks;
LLOKT10066; "Antibiootikumide määramine koos metoodika väljatöötamise ja valideerimisega ning proovi ettevalmistamisega"; Koit Herodes;
LLOKT11028; "Perfluoroalküülühendite analüüsimeetodi arendus ja toidust saadavuse hinnang"; Koit Herodes;
MLOKT08195R; "EURAMET WP 7 EMRP-projektis T2J10 „Traceable measurements for biospecies and ion activity in clinical chemistry“(Bioaktiivsete ainete ja ioonide aktiivsuse jälgitavad mõõtmised kliinilises keemias)"; Ivo Leito;
MLOKT11058; "Biokütuste metroloogia"; Ivo Leito;
MLOKT11174; "Ookeanide soolsuse ja happelisuse mõõtmise metroloogilise toe loomine"; Ivo Leito;
SF0180061s08AP; "Väikesemahulise teaduse infrastruktuuri kaasajastamine teadusteema SF0180061s08 raames"; Ivo Leito;
SF0180061s08AP11; "Väikesemahulise teaduse infrastruktuuri kaasajastamine teadusteema SF0180061s08 raames"; Ivo Leito;
VLOKT12167; "Ravimitootmise vaheühendite lisandite selektiivse ekstraheerimise tingimuste modelleerimine"; Ivo Leito;
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.
Kütt, A.; Koppel, I.; Koppel, I. A.; Leito, I. (2009). Boratabenzene Anions C5B(CN)6- and C5B(CF3)6- and the Superacidic Properties of their Conjugate Acids. ChemPhysChem, 10 (3), 499−502.10.1002/cphc.200800305.
Lipping, L.;Leito, I.;Koppel, I.;Koppel, I.A. (2009). The gas-phase Superacidity of Derivatives of MonocarbaCloco-Borates:a Computational Study. Book of Abstracts: 19th International Symposium on Fluorine Chemistry,Jackson Hole,Wyoming,USA,August 23-28,2009.
Lipping, L.; Leito, I.; Koppel, I.; Koppel, I.A. (2009). The Quest for the Strongest Neutral Brönsted Acid:a DFT and G3(MP2) Study. Book of Abstracts: The 12th KISPOC Symposium; Fukuoka, Japan; December 15-18 2009. Fukuoka,Japan, 29−29.
Jalukse, L.; Helm, I.; Saks, O.; Leito, I. (2008). On the accuracy of micro Winkler titration procedures: a case study. Accreditation and Quality Assurance, 13 (10), 575−579.10.1007/s00769-008-0419-1.
Kütt, A.; Leito, I.; Koppel, I.A.; Röschenthaler, G.-V.; Kolomeitsev, A.A. (2008). Synthesis,characterization and acidity of pentakis(trifluoromethyl)phenyl derivatives. 13.deutscher fluortag and 7th regular German-Russian-Ukrainian symposium on fluorine chemistry;Scmitrten Germany; Sept.29-Oct.2.2008. 1.
Himmel, D.; Goll, S. K.; Leito, I.; Krossing, I. (2010). A unified pH scale for all phases. Angewandte Chemie-International Edition, 49 (38), 6885−6888.10.1002/anie.201000252.
Vahur, S.; Teearu, A.; Leito, I. (2010). ATR-FT-IR spectroscopy in the region of 550-230 cm-1 for identification of inorganic pigments. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 75, 1061−1072.
Vilbaste, Martin; Slavin, Georgi; Saks, Olev; Pihl, Viljar; Leito, Ivo (2010). Can coverage factor 2 be interpreted as an equivalent to 95% coverage level in uncertainty estimation? Two case studies. Measurement, 43 (3), 392−399.10.1016/j.measurement.2009.12.007.
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.
Kadis, R.; Leito, I. (2010). Evaluation of the residual liquid junction potential contribution to the uncertainty in pH measurement: A case study on low ionic strength natural waters. Analytica Chimica Acta, 664 (2), 129−135.dx.doi.org/10.1016/j.aca.2010.02.007.
Kaupmees, K.; Kaljurand, I.; Leito, I. (2010). Influence of water content on the acidities in acetonitrile. Quantifying charge delocalization in anions. (accepted for publication). Journal of Physical Chemistry A, xxxx−xxxx.10.1021/jp105670t [forthcoming].
Helm, I.; Jalukse, L.; Leito, I. (2010). Measurement uncertainty estimation in amperometric sensors: a tutorial review. Sensors, 10 (5), 4430−4455.10.3390/s100504430.
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.
Vahur, S.; Knuutinen, U.; Leito, I. (2009). ATR-FT-IR spectroscopy in the region of 500–230cm−1 for identification of inorganic red pigments. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 73 (4), 764−771.10.1016/j.saa.2009.03.027.
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.
Lipping, L.; Leito, I.; Koppel, I.; Koppel, I.A. (2009). Gas-Phase Brønsted Superacidity of Some Derivatives of Monocarba-closo-Borates: a Computational Study. Journal of Physical Chemistry A, 113 (46), 12972−12978.10.1021/jp905449k.
Helm, I.; Jalukse, L.; Vilbaste, M.; Leito, I. (2009). Micro-Winkler titration method for dissolved oxygen concentration measurement. Analytica Chimica Acta, 167−173.
Eckert, F.; Leito, I.; Kaljurand, I.; Kütt, A.; Klamt, A.; Diedenhofen, M. (2009). Prediction of acidity in acetonitrile solution with COSMO-RS. Journal of Computational Chemistry, 30 (5), 799−810.dx.doi.org/10.1002/jcc.21103.
Kipper, K.; Anier, K.; Leito, I.; Karjagin, J.; Oselin, K.; Herodes, K. (2009). Rapid Determination of Meropenem in Biological Fluids by LC: Comparison of Various Methods for Sample Preparation and Investigation of Meropenem Stability. Chromatographia, 70, 1423−1427.10.1365/s10337-009-1304-8.
Leito, Ivo; Raamat, Elin; Kütt, Agnes; Saame, Jaan; Kipper, Karin; Koppel, Ilmar A.; Koppel, Ivar; Zhang, Min; Mishima, Masaaki; Yagupolskii, Lev M.; Garlyauskayte, Romute Yu.; Filatov, Andrey A. (2009). Revision of the Gas-Phase Acidity Scale below 300 kcal mol-1. Journal of Physical Chemistry A, 113 (29), 8421−8424.10.1021/jp903780k.
Coles, M. P.; Aragón-Sáez, P. J.; Oakley, S. H.; Hitchcock, P. B.; Davidson, M. G.; Maksić, Z. B.; Vianello, R.; Leito, I.; Kaljurand, I.; Apperley, D. C. (2009). Superbasicity of a Bis-guanidino compound with a flexible linker: A theoretical and experimental study. Journal of the American Chemical Society, 131 (46), 16858−16868.10.1021/ja906618g.
Vahur, S.; Sibul, K.; Ehasalu, P.; Sammelselg, V.; Leito, I. (2009). Paint investigations of altar and pulpit in the church of St Mary, Vigala, Estonia. e-PRESERVATIONScience, 6, 43−52.
Kütt, A.;Rodima, T.;Leito, I.;Koppel, I.A. (2009). Acidities of Superacids in 1,2-Dichloroethane. Book of Abstracts: 19th International Symposium on Fluorine Chemistry; Jackson Hole, Wyoming, USA; August 23-28, 2009.
Burk, P.; Leito, I.; Koppel, I.A.; Mishima, M.; Abboud, J.-L. (2009). Gas-phase basicities around and below water -Revisited. Book of Abstracts, 2009: 12th Kyushu International Symposium on Physical Organic Chemistry; Fukuoka, Japan; 15.-18.12.2009. Fukuoka, L08−L08.
Leito, I.;Raamat, E.;Kütt, A.;Saame, J.;Kipper, K.;Koppel, I.A.;Koppel, I.;Zhang, M.;Mishima, M. (2009). Revision of the Gas-Phase Acidity of Strong Acids. Book of Abstracts: 19th International Symposium on Fluorine Chemistry,Jackson Hole,Wyoming,USA,August 23-28,2009.
Laaneots, R; Krutob, V.; Leito, I.; Lepik, R.; Mathiesen, O.; Vabson, V.; Võrk, A. (2009). EVS 758:2009. Metroloogia. Terminid ja määratlused. Tallinn: Eesti Standardikeskus.
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.
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.
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.
Leito, I.; Koppel, I. A.; Burk, P.; Tamp, S.; Kutsar, M.; Mishima, M.; Abboud, J.-L. M.; Davalos, J. Z.; Herrero, R.; Notario, R. (2010). Gas-Phase Basicities Around and Below Water Revisited. Journal of Physical Chemistry A, xxx−xxx.10.1021/jp104917a.
Leito, I.; Jalukse, L. (2010). Accurate Measurement of Dissolved O2. EMRP Partnering conference; Berlin PTB; 01-02.07.2010.
Leito, I. (2010). DIFFERENT APPROACHES TO ESTIMATION OF MEASUREMENT UNCERTAINTY IN ANALYTICAL CHEMISTRY. Isranalytica 2010; Tel Aviv (Israel); 19.-20.01.2010: Isranalytica 2010; Tel Aviv (Israel); 19.-20.01.2010.
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.; 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.
Kütt, A.; Movchun, V.; Rodima, T.; Dansauer, T.; Rusanov, E.B.; Leito, I.; Kaljurand, I.; Koppel, J.; Pihl, V.; Koppel, I; Ovsjannikov, G.; Toom, L.; Mishima, M.; Medebielle, M.; Lork, E.; Röschenthaler, G.-V.; Koppel, I.A.; Kolomeitsev, A.A. (2008). Pentakis(trifluoromethyl)phenyl, a Sterically Crowded and Electron-withdrawing Group: Synthesis and Acidity of Pentakis(trifluoromethyl)benzene, -toluene, -phenol, and aniline. Journal of Organic Chemistry, 73 (7), 2607−2620.
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.
Haav, K.; Kadam, S. A.; Toom, L.; Gale, P. A.; Busschaert, N.; Wenzel, M.; Hiscock, J. R.; Kirby, I. L.; Haljasorg, T.; Lõkov, M.; Leito, I. (2013). Accurate Method To Quantify Binding in Supramolecular Chemistry. Journal of Organic Chemistry, 78 (16), 7796−7808.dx.doi.org/10.1021/jo400626p.
Laaniste, A.; Kruve, A.; Leito, I. (2013). Ensuring repeatability and robustness of poly(glycidyl methacrylate-co-ethylene dimethacrylate) HPLC monolithic columns of 3 mm id through covalent bonding to the column wall. Journal of Separation Science, 36 (15), 2458−2463.10.1002/jssc.201300133.
Vilbaste, M.; Heinonen, M.; Saks, O.; Leito, I. (2013). The effect of water contamination on the dew-point temperature scale realization with humidity generators. Metrologia, 50, 329−336.10.1088/0026-1394/50/4/329.
Vilbaste, M.; Heinonen, M.; Saks, O.; Leito, I. (2013). The effect of water contamination on the dew-point temperature scale realization with humidity generators. Metrologia, 50, 329−336.10.1088/0026-1394/50/4/329.
Vazdar, Katarina; Kunetskiy, Roman; Saame, Jaan; Kaupmees, Karl; Leito, Ivo; Jahn, Ullrich (2014). Very Strong Organosuperbases Formed by Combining Imidazole and Guanidine Bases: Synthesis, Structure, and Basicity. Angewandte Chemie International Edition, 53 (5), 1435−1438.10.1002/anie.201307212.
Raamat, E.; Kaupmees, K.; Ovsjannikov, G.; Trummal, A.; Kütt, A.; Saame, J.; Koppel, I.; Kaljurand, I.; Lipping, L. Rodima, T.; Pihl, V.; Koppel, I. A.; Leito, I. (2013). Acidities of strong neutral Brønsted acids in different media. Journal of Physical Organic Chemistry, 26 (2), 162−170.10.1002/poc.2946.
Kruve, Anneli; Leito, Ivo (2013). Comparison of different methods aiming to account for/overcome matrix effects in LC/ESI/MS on the example of pesticide analyses. Analytical methods, 5 (12), 3035−3044.10.1039/C3AY26551J.
Näykki, Teemu; Jalukse, Lauri; Helm, Irja; Leito, Ivo (2013). Dissolved Oxygen Concentration Interlaboratory Comparison: What Can We Learn? Water, 5 (2), 420−442.10.3390/w5020420.
Greb, Lutz; Tussing, Sebastian; Schirmer, Birgitta; Ona-Burgos, Pascual; Kaupmees, Karl; Lõkov, Märt; Leito, Ivo; Grimme, Stefan; Paradies, Jan (2013). Electronic effects of triarylphosphines in metal-free hydrogen activation: a kinetic and computational study. Chemical Science, 4 (7), 2788−2796.10.1039/c3sc50347j.
Tshepelevitsh, Sofja; Oss, Merit; Pung, Astrid; Leito, Ivo (2013). Evaluating the COSMO-RS Method for Modeling Hydrogen Bonding in Solution. ChemPhysChem, 14 (9), 1909−1919.dx.doi.org/10.1002/cphc.201300186.
Kruve, Anneli; Kaupmees, Karl; Liigand, Jaanus; Oss, Merit; Leito, Ivo (2013). Sodium adduct formation efficiency in ESI source. Journal of Mass Spectrometry, 48 (6), 695−702.10.1002/jms.3218.
Alexandrova, Anastasia V.; Mašek, Tomáš; Polyakova, Svetlana M.; Císarová, Ivana; Saame, Jaan; Leito, Ivo; Lyapkalo, Ilya M. (2013). Synthesis of Electron-Rich Sterically Hindered P1 Phosphazene Bases by the Staudinger Reaction. European Journal of Organic Chemistry, 9, 1811−1823.10.1002/ejoc.201201400.
Kaljurand, Ivari; Lilleorg, Roman; Murumaa, Algis; Mishima, Masaaki; Burk, Peeter; Koppel, Ivar; Koppel, Ilmar A.; Leito, Ivo (2013). The basicity of substituted N,N-dimethylanilines in solution and in the gas phase. Journal of Physical Organic Chemistry, 26 (2), 171−181.10.1002/poc.2956.
Vahur, S.; Teearu, A.; Leito, I. (2013). ATR-FT-IR spectroscopy in the region of 550-225 cm-1 for identification of inorganic pigments. TECHNART 2013 (Analytical Spectroscopy in Art and Archaeology), Rijksmuseum Amsterdam Holland, 23-26. september.
Kaljurand, Ivari; Rodima, Toomas; Koppel, Ivar; Koppel, Ilmar A.; Saame, Jaan; Leito, Ivo; Kögel, Julius; Sundermeyer, Jörg (2013). Choosing superbases for extending the experimental gas-phase basicity scale. Book of Abstracts: 14th European Symposium on Organic Reactivity, Prague, Czech Republic, September 1-6, 2013. Praha, 37.
Helm, I.; Jalukse, L.; Leito, I. (2012). A highly accurate method for determination of dissolved oxygen: Gravimetric Winkler method. Analytica Chimica Acta, 741, 21−31.10.1016/j.aca.2012.06.049.
Kunetskiy, R.A.;Polyakova, S.M.;Vavrik, J.;Cisarova, I.;Saame, J.;Nerut, E.R.;Koppel, I.;Koppel, I.A.;Kütt, A.;Leito, I.;Lyapkalo, I.M. (2012). A New Class of Organosuperbases,N-Alkyl-and N-Aryl-1,3-dialkyl-,4,5-dimethylimidazol-2-ylidene Amines:Synthesis,Structure,pKBH+ Measurements,and Properties. Chemistry - A European Journal, 18 (12), 3621−3630.10.1002/chem.201102249.
Vahur, S.; Teearu, A.; Haljasorg, T.; Burk, P.; Leito, I.; Kaljurand, I. (2012). Analysis of dammar resin with MALDI-FT-ICR-MS and APCI-FT-ICR-MS. Journal of Mass Spectrometry, 47 (3), 392−409.10.1002/jms.2971.
Haav, Kristjan; Saame, Jaan; Kütt, Agnes; Leito, Ivo (2012). Basicity of Phosphanes and Diphosphanes in Acetonitrile. European Journal of Organic Chemistry, 11, 2167−2172.10.1002/ejoc.201200009.
Himmel, D.; Goll, Sascha K.; Leito, I.; Krossing, I. (2012). Bulk Gas-Phase Acidity. Chemistry - A European Journal, 18, 30, 9333−9340.10.1002/chem.201104025.
Kruve, A; Leito, I, Herodes, K; Laaniste, A; Lõhmus, R. (2012). Enhanced Nebulization Efficiency of Electrospray Mass Spectrometry: Improved Sensitivity and Detection Limit. Journal of the American Society for Mass Spectrometry, 23 (12), 2051−2054.10.1007/s13361-012-0475-y.
Strukil, Vjekoslav; Dilovic, Ivika; Matkovic-Calogovic, Dubravka; Saame, Jaan; Leito, Ivo; Sket, Primoz; Pavlec, Janez; Eckert-Maksic, Mirjana (2012). Molecular structure and acid/base properties of 1,2-dihydro-1,3,5-triazine derivatives. New Journal of Chemistry, 36 (1), 86−96.10.1039/c1nj20595a.
Näykki, T.; Virtanen, A.; Leito, I. (2012). Software support for the Nordtest method of measurement uncertainty evaluation. Accreditation and Quality Assurance, 17 (6), 603−612.10.1007/s00769-012-0932-0.
Su, Xin; Lõkov, Märt; Kütt, Agnes; Leito, Ivo; Aprahamian, Ivan (2012). Unusual Para-Substituent Effects on the Intermolecular Hydrogen-Bond in Hydrazone-Based Switches. Chemical Communications, 48 (85), 10490−10492.10.1039/C2CC35860C.
Teearu, A.; Vahur, S.; Haljasorg, T.; Burk, P.; Kaljurand, I.; Leito, I. (2012). Analysis of Dammar Resin with MALDI- and APCI-FT-ICR-MS. TÜ ja TTÜ doktorikooli “Funktsionaalsed materjalid ja tehnoloogiad” kolmas teaduskonverents, 29. veebruar - 1. märts 2012, Tartu, Eesti..
Vahur, S.; Teearu, A.; Leito, I. (2012). ATR-FT-IR spectroscopy in the region of 550-230 cm-1 for identification of inorganic compounds. 10th Biennial International Conference of the Infrared and Raman Users Group (IRUG10), Barcelona, Hispaania, 28.03 - 1.04.2012.. x, x.
Kaljurand, Ivari; Leito, Ivo; Koppel, Ilmar A. (2012). Suitability of dual solid probe FT-ICR-MS system for gas-phase acidity and basicity measurements of low volatile compounds. 19th International Mass Spectrometry Conference Programme: 19th International Mass Spectrometry Conference; Kyoto; 15.09.-21.09.2012. 70.
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, 25 (9), 1159−1168.
Lipping, L.; Kütt, A.; Kaupmees, K.; Koppel, I.; Burk, P.; Leito, I.; Koppel, I. A. (2011). Acidity of Anilines: Calculations vs Experiment. Journal of Physical Chemistry A, 115, 10335−10344.10.1021/jp204064q.
Rebane, Riin; Herodes, Koit; Leito, Ivo (2011). Analysis of selenomethylselenocysteine and selenomethionine by LC-ESI-MS/MS with diethyl ethoxymethylenemalonate derivatization. Analyst, 136 (24), 5241−5246.10.1039/C0AN01031F.
Himmel, D.; Goll, S. K.; Leito, I.; Krossing, I. (2011). Anchor Points for the Unified Bronsted Acidity Scale: The rCCC Model for the Calculation of Standard Gibbs Energies of Proton Solvation in Eleven Representative Liquid Media. Chemistry - A European Journal, 17 (21), 5808−5826.10.1002/chem.201003164.
Kütt, A.; Rodima, T.; Saame, J.;Raamat, E.; Mäemets, V.; Kaljurand, I.; Koppel, I.A.; Garlyauskayte, R.Y.; Yagupolskii, Y.L.; Yagupolskii, L.M.; Bernhardt, E.; Willner, H.; Leito, I. (2011). Equilibrium acidities of superacids. Journal of Organic Chemistry, 76 (2), 391−395.10.1021/jo101409p.
Kipper, Karin; Herodes, Koit; Leito, Ivo (2011). Fluoroalcohols as novel buffer components for basic buffer solutions for liquid chromatography electrospray ionization mass spectrometry: Retention mechanisms. Journal of Chromatography A, 1218 (45), 8175−8180 .10.1016/j.chroma.2011.09.025.
Vahur, S., Kriiska, A., Leito, I. (2011). Investigation of the adhesive residue on the flint insert and the adhesive lump found from the Pulli Early Mesolithic settlement site (Estonia) by micro-ATR-FT-IR spectroscopy. Estonian Journal of Archaeology, 15 (1), 3−17.
Heldebrant, David J.; Koech, Phillip K.; Rainbolt, James E.; Zheng, Feng; Smurthwaite, Tricia; Freeman, Charles J.; Oss, Merit; Leito, Ivo (2011). Performance of single-component CO(2)-binding organic liquids (CO(2)BOLs) for post combustion CO(2) capture. Chemical Engineering Journal, 171 (3), 794−800.10.1016/j.cej.2011.02.012.
Kruve, Anneli; Auling, Ragne; Herodes, Koit; Leito, Ivo (2011). Study of liquid chromatography/electrospray ionization mass spectrometry matrix effect on the example of glyphosate analysis from cereals. Rapid Communications in Mass Spectrometry, 25 (21), 3252−3258.DOI:10.1002/rcm.5222.
Kipper, Karin; Herodes, Koit; Leito, Ivo; Nei, Lembit (2011). Two fluoroalcohols as components of basic buffers for liquid chromatography electrospray ionization mass spectrometric determination of antibiotic residues. Analyst, 136 (21), 4587−4594.
Rudovica, V.; Viksna, A.; Katkevich, J.; Zarina, G.; Bitenieks, J.; Zicans, J.; Leito, I.; Vahur, S. (2011). Studies of arhaeological bone structure by different analytical methods. Latvijas Kimijas Žurnals (Latvian Journal of Chemistry), 256−265.
Karelson, M.;Koppel, I.A.;Leito, I.;Kaljurand, M.;Samel, N.;Lopp, M.;Pehk, T. (2011). Chemistry in Estonia-Review and Outlook. In: Engelbrecht, J. (Ed.). Research in Estonia. Present and Future (319−345).. Tallinn: Estonian Academy of Sciences.
Leito, Ivo; Oss, Merit; Herodes, Koit; Kruve, Anneli (2011). Electrospray ionization efficiency scale of organic compounds. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 241: 241st National Meeting and Exposition of the American-Chemical-Society (ACS) Location: Anaheim, CA Date: MAR 27-31, 2011. American Chemical Society, 214-ANYL−214-ANYL.
Leito, Ivo (2011). International consortium "Measurement Science in Chemistry". ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY: 241st National Meeting and Exposition of the American-Chemical-Society (ACS); Anaheim, USA; MAR 27-31, 2011. American Chemical Society, 1426-CHED−1426-CHED.
Kütt, A.; Rodima, T.; Trummal, A.; Saame, J.; Kaljurand, I.; Koppel, I.A.; Yagupolskii, Y.I.; Leito, I. (2011). Acidities of Superacids in 1,2-Dichloroethane. Book of Abstracts ESOR XIII: The 13th European Symposium on Organic Reactivity,Tartu,Estonia,11-16 September,2011. Toim. Burk, Peeter. Tartu , P18−P18.
Leito, I.; Kütt, A.; Rodima, T.; Lipping, L.; Kaljurand, I.; Saame, J.; Koppel, I.; Koppel, I.A. (2011). Design and Acidity Measurements of Superacidic Molecules. Book of Abstracts ESOR XIII: The 13th European Symposium on Organic Reactivity,Tartu,Estonia,11-16 September,2011;invited lecture. IL3−IL3.
Koppel, I.A.; Kütt, A.; Leito, I.; Koppel, I.; Rodima, T.; Kaljurand, I; Saame, J; Kolomeitsev, A.A. (2011). Superbasicity of Neutral Molecules-Quo Vadis Plenary lecture. Book of Abstracts ESOR: The 13th European Symposium on Organic Reactivity Tartu,Estonia,11-16 September 2011. Tartu, O19−O19.
Leito, I.; Kütt, A.; Rodima, T.; Lipping, L.; Kaljurand, I.; Saame, J.; Koppel, I.; Koppel, I.A. (2011). Superhappeliste Molekulide Disain ja Happelisuse Mõõtmine. XXXII Eesti Keemiapäevad Teaduskonverentsi Teesid: XXXII Eesti Keemiapäevad Tartu, 14-16 Aprill, 2011. Tartu : Tartu Ülikooli Kirjastus, 54−54.
Leito, I.; Koppel, I. A.; Burk, P.; Tamp, S.; Kutsar, M.; Mishima, M.; Abboud, J.-L. M.; Davalos, J. Z.; Herrero, R.; Notario, R. (2010). Gas-Phase Basicities Around and Below Water Revisited. Journal of Physical Chemistry A, 114 (39), 10694−10699.10.1021/jp104917a.
Kaupmees, K.; Kaljurand, I.; Leito, I. (2010). Influence of water content on the acidities in acetonitrile. Quantifying charge delocalization in anions. Journal of Physical Chemistry A, 11788−11793.10.1021/jp105670t.
Lipping, L.; Koppel, I.; Koppel, I. A.; Kolomeitsev, A.; Röschenthaler, G.-V.; Leito, I. (2010). Polytrifluoromethylation versus Polyfluorination of the Isomers of Kekule Benzene and Phenol: A Theoretical Study. Journal of Organic Chemistry, 75 (19), 6436−6444.10.1021/jo101061u.
Vahur, S.; Knuutinen, U.; Leito, I. (2009). Identification of cultural heritage inorganic red pigments with ATR-FT-IR spectroscopy in region of 500-230 cm-1. TECHNART 2009, Ateena, Kreeka, 27. - 30. Aprill, 2009..
Virro, K.; Mellikov, E.; Volobujeva, O.; Sammelselg, V.; Asari, J.; Paama, L.; Jürgens, J.; Leito, I. (2008). Estimation of uncertainty in electron probe microanalysis: iron determination in manuscripts, a case study. Microchimica Acta, 162, 313−323.10.1007/s00604-007-0821-0.
Põldma, Priit; Moor, Ulvi; Tõnutare, Tõnu; Herodes, Koit; Rebane, Riin (2013). Selenium treatment under field conditions affects mineral nutrition, yield and antioxidant properties of bulb onion (Allium cepa L.). Acta Scientiarum Polonorum - Hortorum Cultus, 12 (6), 167−181.
Rebane, Riin; Oldekop, Maarja-Liisa; Herodes, Koit (2012). Comparison of amino acid derivatization reagents for LC-ESI-MS analysis. Introducing a novel phosphazene-based derivatization reagent. Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences, 904, 99−106.
Rebane, Riin; Herodes, Koit (2012). Comparison of three buffer solutions for amino acid derivatization and following analysis by liquid chromatography electrospray mass spectrometry. Journal of Chromatography A, 1245, 134−142.10.1016/j.chroma.2012.05.039.
Padari, H.; Metsvaht, T.; Kõrgvee, LT.; Germovsek, E.; Ilmoja, ML.; Kipper, K.; Herodes, K.; Standing, JF.; Oselin, K.; Lutsar, I. (2012). Short versus Long Infusion of Meropenem in Very-Low-Birth-Weight Neonates. Antimicrobial Agents and Chemotherapy, 56 (9), 4760−4764.10.1128/AAC.00655-12.
Rebane, Riin; Herodes, Koit (2012). Influence of boric acid on electrospray ionization efficiency. European journal of mass spectrometry, 18 (1), 71−75.10.1255/ejms.1160.
Supervision
Supervision
Kristel Ets, Master's Degree, 2013, (sup) Ivo Leito, ESI ionisatsiooniefektiivsuse uurimine erinevatel massispektromeetritel (Studying ESI ionization efficiency on different mass spectrometers), University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University, Chair of Analytical Chemistry.
Philippa Alice Hayes, Master's Degree, 2013, (sup) Signe Vahur; Ivo Leito, ATR-FT-IR and multivariate analysis of paints and coating materials, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Agnes Suu, Master's Degree, 2013, (sup) Ivo Leito; Lauri Jalukse, Experimental realization of unified acidity scale, University of Tartu, Faculty of Science and Technology (old).
Irja Helm, Doctor's Degree, 2012, (sup) Ivo Leito; Lauri Jalukse, High accuracy gravimetric Winkler method for determination of dissolved oxygen, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Karita Raudkivi, Doctor's Degree, 2012, (sup) Jaanus Harro; Ivo Leito, Neurochemical studies on inter-individual differences in affect-related behaviour of the laboratory rat, University of Tartu, Faculty of Physics and Chemistry, Institute of Chemical Physics, Chair of Analytical Chemistry.
Jaan Saame, Master's Degree, 2012, (sup) Ivo Leito; Agnes Kütt, Superaluselisuse skaalade laiendamine, kasutades uudseid orgaanilisi superaluseid (Expanding of Superbasicity Scales Using Novel Organic Superbases), University of Tartu.
Anneli Kruve, Doctor's Degree, 2011, (sup) Ivo Leito; Koit Herodes, Matrix Effects in Liquid-Chromatography Electrospray Mass-Spectrometry, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Karl Kaupmees, Master's Degree, 2010, (sup) Ivari Kaljurand; Ivo Leito, Veesisalduse mõju happelisuse skaalale atsetonitriilis, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University, Chair of Analytical Chemistry.
Signe Vahur, Doctor's Degree, 2010, (sup) Ivo Leito, Expanding the possibilities of ATR-FT-IR spectroscopy in determination of inorganic pigments, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Elin Raamat, Master's Degree, 2009, (sup) Ivo Leito; Agnes Kütt, Aromatic sulfonimides - a forgotten family of compounds, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Anu Teearu, Master's Degree, 2009, (sup) Signe Vahur; Ivo Leito, Pigmentide uurimine ATR-FTIR spektroskoopia meetodil (Investigation of pigments with ATR-FTIR spectroscopy), University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Irja Helm, Master's Degree, 2008, (sup) Lauri Jalukse; Ivo Leito, Lahustunud hapniku mikro-Winkleri metoodikate valideerimine (Validation of micro-Winkler method for Dissolved Oxygen analysis), University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Karin Kipper, Master's Degree, 2008, (sup) Kersti Oselin; Ivo Leito; Annika Vaarmann, HPLC-UV meetod kesknärvisüsteemi ravimite määramiseks inimese vereplasmas (HPLC-based method for determination of SSRI’s, neuroleptics and other central nervous system drugs in human plasma), University of Tartu, Faculty of Physics and Chemistry.
Agnes Kütt, Doctor's Degree, 2008, (sup) Ivo Leito; Ilmar Koppel; Ivari Kaljurand, Studies of Acid-Base Equilibria in non-Aqueous Media, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
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.
Maarja-Liisa Oldekop, Master's Degree, 2013, (sup) Riin Rebane; Koit Herodes, Aminohapete derivatiseerivate reagentide võrdlemine, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Karin Kipper, Doctor's Degree, 2012, (sup) Koit Herodes, Fluoroalcohols as Components of LC-ESI-MS Eluents: Usage and Applications, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Riin Rebane, Doctor's Degree, 2012, (sup) Koit Herodes, Advanced method development strategy for derivatization LC/ESI/MS, University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Erik Berlin, Master's Degree, 2011, (sup) Koit Herodes, Nitrotselluloosi baasil propellantide stabiilsuse testimine, kasutades stabilisaatorite ammendumist (Stability testing of nitrocellulose based propellants using stabilizer depletion), University of Tartu, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
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, Faculty of Science and Technology (old), Institute of Chemistry, Tartu University.
Riin Rebane, Master's Degree, 2008, (sup) Koit Herodes, 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.
Industrial property
Industrial property
Patentne leiutis: Meetod ja seade uuritava aine või seda sisaldava kandevedeliku pihustamiseks ionisatsiooniallikast massispektromeetrisse; Omanikud: Tartu Ülikool, Eesti Nanotehnoloogiate Arenduskeskuse AS ; Autorid: Anneli Kruve, Koit Herodes, Rünno Lõhmus, Ivo Leito, Ants Lõhmus; Prioriteedi number: P201100030; Prioriteedi kuupäev: 27.04.2011.