caa a22 4500 606200061 CHVBK 20210128100942.0 cr unu---uuuuu 210128e20150601xx s 000 0 eng 10.1007/s10653-014-9673-9 doi (NATIONALLICENCE)springer-10.1007/s10653-014-9673-9 Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil [Elektronische Daten] [Bojidarka Ivanova, Michael Spiteller] The work presented here refers firstly to solid-state UV-MALDI-Orbitrap-mass spectrometric analysis of fluroxypyr (A) and triclopyr (B) in soils under laboratory conditions. The experimental design has involved the following: (a) determination of analytes A and B in polycrystalline composites of organic materials 1-7, based on 2-piperidine (pyrrolidine or piperazine)-1-yl-ethyl ammonium salts in order to determine the effect of sample preparation techniques on method performance using commercial herbicide formulations and (b) analysis of non-(X j,k,l i ) and sterilized (Y j,k,l i ) soil samples (i—fold rate 1, 10, 100, or 1,000; j—pesticide type A or B; k—time (0, 5, 10, 20, and 50days) and l=1-3 replicated samples) having clay content ∈ 5.0-12.0%, silt ∈ 23.0-51.1%, sand ∈ 7.2-72.0%, and pH ∈ 4.0-8.1. In order to obtain a high representativeness of the data toward real-field experiments, the pollution scheme has involved 1-, 10-, 100-, and 1,000-fold rates. The firstfold rate has concentration of pollutant A of 2.639×10−4g in 625cm2 soil horizon of 0-25cm2 (5 cm depth) according to registration report (PSM-Zulassungbericht) of German Federal Office of Consumer Protection and Food Safety (Bundesamt für Verbraucherschutz und Lebensmittelsicherheit) 6337/26.10.2009. The experimental design has involved quincunx systematic statistical approach for collection of soil samples. The performance has been compared with the corresponding statistical variable obtained, using an independent HPLC-ESI-(APCI-)-MS/MS analysis. Springer Science+Business Media Dordrecht, 2015 Thermodynamics nationallicence Soil analysis nationallicence UV-MALDI-Orbitrap-MS nationallicence Fluroxypyr nationallicence Triclopyr nationallicence APCI : Atmospheric pressure chemical ionization nationallicence ANOVA : Analysis of variance nationallicence CP : Crystalline phase nationallicence CIS : Configuration interaction singles (quantum chemical method) nationallicence CT : Charge transfer (effect) nationallicence DFT : Density functional theory nationallicence DLLME : Dispersive liquid-liquid microextraction nationallicence ESI : Electrospray ionization (mass spectrometry) nationallicence Fs : Fluorescence (detection) nationallicence GP : Gas phase nationallicence GC-ECD : Gas chromatography with electron capture detection nationallicence HPLC : High-performance liquid chromatography nationallicence LP : Liquid phase nationallicence LMW : Low-molecular-weight analytes nationallicence HF-LDME : Hollow fiber-based liquid-phase microextraction nationallicence HMBC : (Heteronuclear) multibond correlation spectroscopy (NMR processing mode) nationallicence HSQC : Heteronuclear single-quantum coherence (NMR processing mode) nationallicence LLE : Liquid-liquid extraction nationallicence LODs : (Concentration) limit of detection nationallicence LOQs : (Concentration) limit of quantitation nationallicence LPME : Liquid-phase microextraction nationallicence M06-2X : Meta-hybrid GGA quantum chemical method (functional) nationallicence MALDI : Matrix-assisted laser desorption/ionization (mass spectrometry) nationallicence MS : Mass spectrometry nationallicence MS/MS : Tandem operation mode (mass spectrometry) nationallicence MLR : Multiple linear regression nationallicence NBO : Natural bond orbital (analysis) nationallicence NMR : Nuclear magnetic resonance nationallicence PCM : Polarizable continuum model (quantum chemical method) nationallicence PT : Proton transfer (effect) nationallicence RT : Retention time nationallicence SPE : Solid-phase extraction nationallicence SPME : Solid-phase microextraction nationallicence SDME : Single-drop liquid-phase microextraction nationallicence TD : Time-dependent Hartree-Fock (quantum chemical method) nationallicence TD-DFT : Time-dependent density functional (quantum chemical method) nationallicence UCC : Unit cell content nationallicence UFLC : Ultra-fast liquid chromatography nationallicence UV : Ultraviolet (irradiation) nationallicence Ivanova Bojidarka Lehrstuhl für Analytische Chemie, Institut für Umweltforschung, Fakultät für Chemie, Universität Dortmund, Otto-Hahn-Straße 6, 44227, Dortmund, Nordrhein-Westfalen, Germany aut Spiteller Michael Lehrstuhl für Analytische Chemie, Institut für Umweltforschung, Fakultät für Chemie, Universität Dortmund, Otto-Hahn-Straße 6, 44227, Dortmund, Nordrhein-Westfalen, Germany aut Environmental Geochemistry and Health Springer Netherlands 37/3(2015-06-01), 557-574 0269-4042 37:3<557 2015 37 10653 https://doi.org/10.1007/s10653-014-9673-9 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s10653-014-9673-9 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Ivanova Bojidarka Lehrstuhl für Analytische Chemie, Institut für Umweltforschung, Fakultät für Chemie, Universität Dortmund, Otto-Hahn-Straße 6, 44227, Dortmund, Nordrhein-Westfalen, Germany aut NATIONALLICENCE 700 1- Spiteller Michael Lehrstuhl für Analytische Chemie, Institut für Umweltforschung, Fakultät für Chemie, Universität Dortmund, Otto-Hahn-Straße 6, 44227, Dortmund, Nordrhein-Westfalen, Germany aut NATIONALLICENCE 773 0- Environmental Geochemistry and Health Springer Netherlands 37/3(2015-06-01), 557-574 0269-4042 37:3<557 2015 37 10653