TY - CONF A1 - Piechotta, Christian A1 - Iznaguen, Hassan A1 - Traub, Heike A1 - Feldmann, Ines A1 - Köppen, Robert A1 - Witt, Angelika A1 - Jung, Christian A1 - Becker, Roland A1 - Oleszak, Katrin A1 - Bücker, Michael A1 - Urban, Klaus A1 - Reger, Christian A1 - Ostermann, Markus T1 - Bewitterungsszenarien im Vergleich – Veränderungen in der Oberflächenmorphologie von Polypropylen (PP) und Polystyrol (PS) unter dem Aspekt des Austrags von polybromierten Flammschutzmitteln T2 - Umwelteinflüsse erfassen, simulieren, bewerten N2 - Gegenstand der vorzustellenden Arbeiten ist die Prüfung der Umwelt-beständigkeit und -verträglichkeit von Materialien und Produkten hinsichtlich der Emission von potenziellen Schadstoffen in die Umwelt. Hierzu werden chemisch-physikalische Einflüsse (Bewitterung) und mikrobielle Beanspruchungen an Modellmaterialien evaluiert. So werden die Freisetzungsraten von Schadstoffen in Abhängigkeit der Beanspruchung beschrieben. Als Modellmaterialien kommen die Polymere Polystyrol (PS) und Polypropylen (PP) zum Einsatz. Synergistische Effekte der Bewitterungsparameter und der mikrobiologischen Beanspruchung sollen dabei ebenso betrachtet werden, wie die gezielte Alterung. Auch findet eine Beschreibung des Verhaltens der ausgetragenen Schadstoffe in den Umweltkompartimenten Boden oder Wasser statt. Hier sind mit Hilfe der zu entwickelnden Screening- und non-Target-Analyseverfahren die Transformation und der Metabolismus durch Mikroorganismen zu beschreiben. Aus den Ergebnissen sollen Korrelationen zwischen den künstlichen Alterungsverfahren und realen Szenarien abgeleitet werden. T2 - 47. Jahrestagung der GUS CY - Blankenloch-Stutensee, Germany DA - 21.03.2018 KW - Schadstoffaustrag KW - Umweltsimulation KW - Bewitterung PY - 2018 SN - 978-981-18507-2-7 VL - 47 SP - 115 EP - 128 AN - OPUS4-49802 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Roesch, Philipp A1 - Vogel, Christian A1 - Wittwer, Philipp A1 - Huthwelker, T. A1 - Borca, C. A1 - Sommerfeld, Thomas A1 - Kluge, Stephanie A1 - Piechotta, Christian A1 - Kalbe, Ute A1 - Simon, Franz-Georg T1 - Taking a Look at the Surface: µ-XRF Mapping and Fluorine K-edge µ-XANES Spectroscopy of Organofluorinated Compounds in Environmental Samples and Consumer Products JF - Environmental Science: Processes & Impacts N2 - For the first time, µ-X-ray fluorescence (µ-XRF) mapping combined with fluorine K-edge µ-X-ray absorption near-edge structure (µ-XANES) spectroscopy was applied to depict per- and polyfluoroalkyl substances (PFAS) contamination and inorganic fluoride in samples concentrations down to 100 µg/kg fluoride. To demonstrate the matrix tolerance of the method, several PFAS contaminated soil and sludge samples as well as selected consumer product samples (textiles, food contact paper and permanent baking sheet) were investigated. µ-XRF mapping allows for a unique element-specific visualisation at the sample surface and enables localisation of fluorine containing compounds to a depth of 1 µm. Manually selected fluorine rich spots were subsequently analysed via fluorine K-edge µ-XANES spectroscopy. To support spectral interpretation with respect to inorganic and organic chemical distribution and compound class determination, linear combination (LC) fitting was applied to all recorded µ-XANES spectra. Complementarily, solvent extracts of all samples were target-analysed via LC-MS/MS spectrometry. The detected PFAS sum values range from 20 to 1136 µg/kg dry weight (dw). All environmentally exposed samples revealed higher concentration of PFAS with a chain length >C8 (e.g. 580 µg/kg dw PFOS for Soil1), whereas the consumer product samples showed a more uniform distribution with regard to chain lengths from C4 to C8. Independent from quantified PFAS amounts via target analysis, µ-XRF mapping combined with µ-XANES spectroscopy was successfully applied to detect both point-specific concentration maxima and evenly distributed surface coatings of fluorinated organic contaminants in the corresponding samples. KW - PFAS KW - XRF KW - LC-MS/MS KW - XANES KW - Fluoride KW - Soil PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-576109 DO - https://doi.org/10.1039/D3EM00107E SN - 2050-7887 SP - 1 EP - 12 PB - Royal Society of Chemistry AN - OPUS4-57610 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Christian A1 - Roesch, Philipp A1 - Wittwer, Philipp A1 - Piechotta, Christian A1 - Lisec, Jan A1 - Sommerfeld, Thomas A1 - Kluge, Stephanie A1 - Herzel, Hannes A1 - Huthwelker, T. A1 - Borca, C. A1 - Simon, Franz-Georg T1 - Levels of per- and polyfluoroalkyl substances (PFAS) in various wastewater-derived fertilizers – analytical investigations from different perspectives JF - Environmental Science: Advances N2 - Solid wastewater-based fertilizers were screened for per- and polyfluoroalkyl substances (PFAS) by the extractable organic fluorine (EOF) sum parameter method. The EOF values for ten sewage sludges from Germany and Switzerland range from 154 to 7209 mg kg−1. For thermal treated sewage sludge and struvite the EOF were lower with values up to 121 mg kg−1. Moreover, the application of PFAS targeted and suspect screening analysis of selected sewage sludge samples showed that only a small part of the EOF sum parameter values can be explained by the usually screened legacy PFAS. The hitherto unknown part of EOF sum parameter contains also fluorinated pesticides, pharmaceutical and aromatic compounds. Because these partly fluorinated compounds can degrade to (ultra-)short PFAS in wastewater treatment plants they should be considered as significant sources of organic fluorine in the environment. The combined results of sum parameter analysis and suspect screening reveal the need to update current regulations, such as the German fertilizer ordinance, to focus not solely on a few selected PFAS such as perfluorooctane sulfonic acid (PFOS) and perfluorooctanoic acid (PFOA) but consider an additional sum parameter approach as a more holistic alternative. Moreover, diffusion gradient in thin-films (DGT) passive samplers were utilized as an alternative simplified extraction method for PFAS in solid wastewater-based fertilizers and subsequently quantified via combustion ion chromatography. However, the DGT method was less sensitive and only comparable to the EOF values of the fertilizers in samples with >150 mg kg−1, because of different diffusion properties for various PFAS, but also kinetic exchange limitations. KW - Combustion Ion Chromatography KW - Per- and Polyfluoroalkyl substances (PFAS) KW - Sewage sludge KW - Fertilizer PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-583429 DO - https://doi.org/10.1039/d3va00178d VL - 2 IS - 10 SP - 1436 EP - 1445 PB - Royal Society of Chemistry (RSC) AN - OPUS4-58342 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Köppen, Robert A1 - Becker, Roland A1 - Jung, Christian A1 - Piechotta, Christian A1 - Nehls, Irene T1 - Investigation of extraction procedures and HPLC-DAD/MS for the determination of the brominated flame retardant tetrabromobisphenol A bis(2,3-dibromopropylether) in environmental samples JF - Analytical and bioanalytical chemistry N2 - A method for the determination of the novel brominated flame retardant tetrabromobisphenol A bis(2,3-dibromopropylether), 1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromo-propoxy)-benzene] (TBBPA-dbpe), was developed. Technical TBBPA-dbpe was purified and the results of a thorough physical characterisation are reported. The application of APCI-MS is discussed and the fragmentation patterns are described. Quantification of TBBPA-dbpe was done by HPLC-DAD using external calibration. The validation of the method was accomplished using sediment and sewage sludge samples spiked with defined amounts of authentic TBBPA-dbpe. The average recovery rates of TBBPA-dbpe from spiked samples ranged from 35 to 91% (sediment) and from 57 to 98% (sewage sludge) depending on the respective extraction method. Pressurised fluid extraction (PFE) and fluidised bed extraction were superior to classical Soxhlet and sonication procedures and yielded recovery rates between 90 and 98% with relative standard deviations of 2%. The limits of detection (DTC), identification (ID) and determination (DTM) using HPLC-DAD were 10, 21 and 30 ng g-1 in sediment and 22, 44 and 72 ng g-1 in sewage sludge, respectively. KW - Extraction KW - TBBPA-dbpe KW - Sewage sludge KW - Sediment KW - LC-MS KW - Mass spectrometry KW - APCI KW - HPLC-DAD PY - 2006 DO - https://doi.org/10.1007/s00216-006-0339-z SN - 1618-2642 SN - 1618-2650 VL - 384 IS - 7-8 SP - 1485 EP - 1492 PB - Springer CY - Berlin AN - OPUS4-12255 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Win, Tin A1 - Nehls, Irene T1 - Bestimmung von CAS in Klärschlämmen T2 - Jahrestagung 2006 der GDCh, Fachgruppe "Umweltchemie und Ökotoxikologie", Martin-Luther-Universität Halle-Wittenberg T2 - Jahrestagung 2006 der GDCh, Fachgruppe "Umweltchemie und Ökotoxikologie", Martin-Luther-Universität Halle-Wittenberg CY - Halle (Saale), Germany DA - 2006-10-04 PY - 2006 AN - OPUS4-12428 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kuhlich, Paul A1 - Emmerling, Franziska A1 - Kraus, Werner A1 - Nehls, Irene A1 - Piechotta, Christian T1 - 1-(4-bromo-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN JF - Acta crystallographica E N2 - The title compound, C18H25BrO, crystallized as a racemate with four independent molecules in the asymmetric unit. In the crystal, three of these four molecules are linked via C-Br...Br-C halogen bonds [Br...Br = 3.662 (2) and 3.652 (2) Å], forming dimers. PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-279935 DO - https://doi.org/10.1107/S1600536813006934 SN - 1600-5368 VL - 69 IS - 4 SP - o545, sup-1 EP - sup-17 PB - Munksgaard CY - Copenhagen AN - OPUS4-27993 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lischka, Susanne A1 - Arroyo-Abad, Uriel A1 - Mattusch, J. A1 - Kühn, Andreas A1 - Piechotta, Christian T1 - The high diversity of arsenolipids in herring fillet (Clupea harengus) JF - Talanta N2 - Arsenolipids represent a relevant step in the biosynthesis of organoarsenicals from inorganic arsenic compounds. Their fate after human consumption is still uncertain. By means of a HPLC-ICP-MS/ESI-Q-TOF-MS method, 16 lipid soluble arsenic compounds, including seven formerly unknown organoarsenicals, have been identified in commercial herring fillet. The structural assignment was done by exact mass and high resolution MS/MS data. This is the first identification of arsenolipids in herring (Clupea harengus). They contribute with (3.6±0.2) mg kg-1 arsenic to 62.3% of the total arsenic content of (5.7±0.3) mg of arsenic per kg dry mass. Current studies indicate that a metabolization by humans to cancerous dimethylarsinic acid is very likely. The presented results are highly relevant as herring is a very popular food fish species in Europe. Moreover, the screening of different fish species revealed that arsenolipids are more widespread than previously assumed. KW - Arsenic species KW - Arsenolipids KW - Fish KW - Herring KW - ESI-MS/MS KW - ICP-TOF-MS PY - 2013 DO - https://doi.org/10.1016/j.talanta.2013.02.051 SN - 0039-9140 VL - 110 SP - 144 EP - 152 PB - Elsevier CY - Amsterdam AN - OPUS4-28302 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Lischka, Susanne T1 - Isotopic labeled standard for the routine analysis of arsenobetaine T2 - Metallomic 2013 T2 - Metallomic 2013 CY - Oviedo, Spain DA - 2013-07-08 PY - 2013 AN - OPUS4-28775 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Kuhlich, Paul T1 - Identification and Characterization of New Disinfections By-products of Polycyclic Musks (AHTN and HHCB) in Swimming pool water T2 - ICCE 2013 T2 - ICCE 2013 CY - Barcelona, Spain DA - 2013-06-24 PY - 2013 AN - OPUS4-28773 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lischka, Susanne A1 - Körte, F. A1 - Faust, R. A1 - Nehls, Irene A1 - Piechotta, Christian T1 - Synthesis, characterization and application of a two-fold 13C-labeled calibration standard for the analysis of arsenobetaine using HPLC-ESI-MS/MS without high resolution mass spectrometry JF - Talanta N2 - A procedure has been developed for the determination of arsenobetaine in fish matrix by HPLC–ESI-MS/MS. Hereby (trimethylarsonium)-1,2-13C-acetate (arsenobetaine) is used as internal calibration standard. Arsenobetaine was determined in a fish material (Sea Bass) with an expanded uncertainty of 3.8%. KW - Arsenobetaine KW - ESI-MS/MS KW - Isotopic labeled KW - 13C PY - 2011 DO - https://doi.org/10.1016/j.talanta.2011.07.047 SN - 0039-9140 VL - 85 IS - 4 SP - 1996 EP - 1999 PB - Elsevier CY - Amsterdam AN - OPUS4-25163 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Schmidt, Sebastian A1 - Nehls, Irene T1 - A New Approach for the Characterization of Commercial Linear Alkylbenzene Sulfonate (LAS) T2 - 5. Conference über Ionenanalyse (CIA) T2 - 5. Conference über Ionenanalyse (CIA) CY - Berlin, Germany DA - 2011-09-26 PY - 2011 AN - OPUS4-24371 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Krüger, Simone A1 - Deubel, Jan A1 - Werrel, Martin A1 - Fettig, Ina A1 - Raspe, Tina A1 - Piechotta, Christian T1 - Experimental studies on the effect of fire accelerant during living room fires T2 - Fire and materials 2013 - 13th International conference and exhibition (Proceedings) N2 - The influence of fire accelerants on the fire behavior during living room fires was experimentally investigated by performing 5 different room fire scenarios. During the tests flre-technological quantities were determined as well as chemical-analytical studies were carried out. The focus was on the detection of smoke gases and the proof of used fire accelerants. The evaluation of traceable fire accelerants and the reconstruction of the fire development are based on a precise Chemical analysis of the combustion products. In this work an innovative methodology was developed to combine available analyticai techniques to draw conclusions from solid, liquid and gaseous fire residues about the fire process. Each ofthe fire rooms was equipped with the same living room inventory. The location and amount of fire accelerant (a mixture of diesel/gasoline) differed in 4 of 5 tests. Orte room fire experiment was carried out without fire accelerant. The following fire technological characteristics were determined during the room fire experiments: mass loss (of the complete room), temperatures (at several locations in the room), heat release and smoke gas emission (measured at three different locations: in the chimney, in the fire room and at the door opening). While the smoke gases were analysed by using Fourier Transform Infrared spectroscopy, the fire residues and swipe samples (particles) were examined by Headspace-Solid Phase Microextraction- Gaschromatography-Mass spectrometry. These procedures make it possible to detect low concentrations of volatile components of the fire accelerants. The Chemical analyticai results of the fire accelerant detection are presented. T2 - Fire and materials 2013 - 13th International conference and exhibition CY - San Francisco, CA, USA DA - 28.01.2013 KW - Accelerant KW - Chemical analysis KW - Toxicity PY - 2013 SP - 729 EP - 743 PB - Interscience Communications CY - London, UK AN - OPUS4-27708 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Krüger, Simone A1 - Deubel, Jan A1 - Raspe, Tina A1 - Fettig, Ina A1 - Piechotta, Christian T1 - Chemische Brandspurenanalytik T2 - Vfdb 2012 - Jahresfachtagung T2 - Vfdb 2012 -Jahresfachtagung CY - Köln, Deutschland DA - 2012-05-21 KW - Brandbeschleuniger KW - Brandgase KW - Brand KW - Partikel KW - Analytik PY - 2012 SP - 517 EP - 539 PB - VdS Schadenverhütung CY - Köln AN - OPUS4-25933 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Arroyo-Abad, Uriel A1 - Mattusch, J. A1 - Lischka, Susanne T1 - Identifizierung und analytische Betrachtung von Arsenolipiden in Hering T2 - ANAKON 2013 T2 - ANAKON 2013 CY - Essen, Germany DA - 2013-03-04 PY - 2013 AN - OPUS4-27780 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Lischka, Susanne T1 - Einsatz eines isotopenmarkierten Kalibrierstandards zur Bestimmung von Arsenobetain mittels HPLC-ESI-MS/MS T2 - CANAS 2013 T2 - CANAS 2013 CY - Freiberg, Germany DA - 2013-03-18 PY - 2013 AN - OPUS4-27781 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Sommerfeld, Thomas A1 - Swart, Claudia A1 - Haarich, M. A1 - Win, Tin A1 - Lück, Detlef A1 - Nehls, Irene T1 - Arsenic and Mercury speciation in fish T2 - GSF Speciation 2008 T2 - GSF Speciation 2008 CY - Munich, Germany DA - 2008-05-25 PY - 2008 AN - OPUS4-17790 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Schmidt, Sebastian A1 - Schwarz, Gunnar A1 - Win, Tin A1 - Nehls, Irene T1 - Determination and quantification of LAS-siomers using GC-MS and GC-FID T2 - ICS 2008 T2 - ICS 2008 CY - Münster, Germany DA - 2008-09-21 PY - 2008 AN - OPUS4-17791 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Grimm, T. A1 - Kleine-Benne, E. A1 - Senz, R. A1 - Piechotta, Christian T1 - Stoffwechselprozesse analysieren und überwachen JF - Labor-Praxis KW - SPME KW - GC KW - Stoffwechselprodukte PY - 2008 SN - 0344-1733 SN - 1610-8256 IS - 10 SP - 46 EP - 49 PB - Vogel CY - Würzburg AN - OPUS4-18431 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Garbe, L.A. A1 - Würtz, A. A1 - Piechotta, Christian A1 - Tressl, R. T1 - The Peptide-catalyzed Maillard Reaction - Characterization of 13C Reductones JF - Annals of the New York academy of sciences N2 - The reaction pathways of amino acids and reducing sugars are now fully understood. The focus in the last few years, however, has turned to the reaction of peptides and proteins with reducing sugars. We have investigated the reaction of γ-aminobutanoic acid, the heptapeptide Nα-Acetyl-Lys-Lys-β-Ala-Lys-β-Ala-Lys-Gly, and the model protein β-casein in Maillard reactions with 1-13C arabinose. Characterization of 13C-labeled acetic acid and norfuraneol by gas chromatography–mass spectrometry and nuclear magnetic resonance revealed new formation pathways. The results demonstrate significant differences in the labeling pattern of the products depending on the amine used, indicating different formation pathways of acetic acid and norfuraneol. KW - Norfuraneol KW - 13C labeling KW - Pathway KW - Casein KW - Peptide PY - 2008 DO - https://doi.org/10.1196/annals.1433.046 SN - 0077-8923 SN - 1749-6632 SN - 0094-8500 VL - 1126 SP - 244 EP - 247 PB - New York Academy of Sciences CY - New York, NY AN - OPUS4-18432 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Schmidt, Sebastian A1 - Schwarz, Gunnar A1 - Win, Tin A1 - Nehls, Irene T1 - Determination and Quantification of LAS-isomers using GC-MS and GC-FID T2 - EMEC 9 T2 - EMEC 9 CY - Girona, Spain DA - 2008-12-03 PY - 2008 AN - OPUS4-18394 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Sommerfeld, Thomas A1 - Win, Tin A1 - Nehls, Irene T1 - Methylquecksilber-Bestimmung in Fischmatrizes mittels massenspektrometrischer Methoden T2 - 12. Varian-MS-Anwendertreffen, Akademie Schloss Hohenkammer T2 - 12. Varian-MS-Anwendertreffen, Akademie Schloss Hohenkammer CY - Hohenkammer, Germany DA - 2007-01-16 PY - 2007 AN - OPUS4-14306 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Sommerfeld, Thomas A1 - Swart, Claudia A1 - Win, Tin A1 - Lück, Detlef A1 - Haarich, M. A1 - Nehls, Irene T1 - Arsen- und Quecksilberspezies in Fisch T2 - 4. Conference über Ionenanalyse, Technische Universität Berlin T2 - 4. Conference über Ionenanalyse, Technische Universität Berlin CY - Berlin, Germany DA - 2007-03-12 PY - 2007 AN - OPUS4-14307 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Pfeifer, Dietmar A1 - Schmidt, Sebastian A1 - Win, Tin A1 - Nehls, Irene T1 - Entwicklung eines LAS-Kalibrierstandards T2 - 4. Conference über Ionenanalyse T2 - 4. Conference über Ionenanalyse CY - Berlin, Germany DA - 2007-03-12 PY - 2007 AN - OPUS4-14308 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Sommerfeld, Thomas A1 - Swart, Claudia A1 - Win, Tin A1 - Lück, Detlef A1 - Haarich, M. A1 - Nehls, Irene T1 - Bestimmung toxikologisch relevanter Schwermetall-Spezies in Fisch T2 - 36. Deutscher Lebensmittelchemikertag 2007 T2 - 36. Deutscher Lebensmittelchemikertag 2007 CY - Nuremberg, Germany DA - 2007-09-10 PY - 2007 AN - OPUS4-14605 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Sommerfeld, Thomas A1 - Win, Tin A1 - Nehls, Irene T1 - Development and validation of a method for the quantification of tributyltin at subnanogram per liter concentrations T2 - TraceSpec 2007 T2 - TraceSpec 2007 CY - Münster, Germany DA - 2007-09-04 PY - 2007 AN - OPUS4-14816 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Pfeifer, Dietmar A1 - Win, Tin A1 - Nehls, Irene T1 - Lineare Alkylbenzolsulfonate (LAS) - Die Entwicklung eines Kalibrierstandards T2 - Jahrestagung 2007, Umweltchemie und Ökotoxikologie, Von der Chemodynamik in Ökosystemen zur Stoffbewertung T2 - Jahrestagung 2007, Umweltchemie und Ökotoxikologie, Von der Chemodynamik in Ökosystemen zur Stoffbewertung CY - Osnabrück, Germany DA - 2007-09-26 PY - 2007 AN - OPUS4-14817 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Pfeifer, Dietmar A1 - Schmidt, Sebastian A1 - Win, Tin A1 - Nehls, Irene T1 - Synthetic linear alkylbenzenesulfonates (LAS) as calibration standard T2 - EUROanalysis XIV T2 - EUROanalysis XIV CY - Antwerp, Belgium DA - 2007-09-09 PY - 2007 AN - OPUS4-14772 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Richter, Janine A1 - Fettig, Ina A1 - Piechotta, Christian A1 - Philipp, Rosemarie A1 - Jakubowski, Norbert T1 - Tributylzinn in Gesamtwasserproben - Entwicklung eines Referenzverfahrens für die EU-Wasserrahmenrichtlinie JF - GIT : Labor-Fachzeitschrift PY - 2013 SN - 0016-3538 IS - 9 SP - 2 EP - 4 PB - GIT-Verlag CY - Darmstadt AN - OPUS4-29040 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Durmaz, V. A1 - Schmidt, Sebastian A1 - Sabri, P. A1 - Piechotta, Christian A1 - Weber, M. T1 - Hands-off linear interaction energy approach to binding mode and affinity estimation of estrogens JF - Journal of chemical information and modeling N2 - With this work we target the development of a predictictive model for the identification of small molecules which bind to the estrogen receptor alpha and, thus, may act as endocrine disruptors. We propose a combined thermodynamic approach for the estimation of preferential binding modes along with corresponding free energy differences using a linear interaction energy (LIE) ansatz. The LIE model is extended by a Monte Carlo approach for the computation of conformational entropies as recently developed by our group. Incorporating the entropy contribution substantially increased the correlation with experimental affinity values. Both squared coefficients for the fitted data as well as the more meaningful leave-one-out cross-validation of predicted energies were elevated up to rFit2 = 0.87 and qLOO2 = 0.82, respectively. All calculations have been performed on a set of 31 highly diverse ligands regarding their structural properties and affinities to the estrogen receptor alpha. Comparison of predicted ligand orientations with crystallographic data retrieved from the Protein database pdb.org revealed remarkable binding mode predictions. KW - Estrogenes KW - Modeling KW - Affinity PY - 2013 DO - https://doi.org/10.1021/ci400392p SN - 1549-9596 SN - 0095-2338 SN - 1549-960X VL - 53 IS - 10 SP - 2681 EP - 2688 CY - Washington, DC AN - OPUS4-29611 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Schmidt, Sebastian A1 - Godejohann, M. A1 - Mügge, C. A1 - Nehls, Irene T1 - Hyphenated techniques for the analysis of linear alkylbenzenesulfonates in technical formulation T2 - ISC 2010 T2 - ISC 2010 CY - Valencia, Spain DA - 2010-09-12 PY - 2010 AN - OPUS4-21851 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Kleine-Benne, E. A1 - Grimm, T. A1 - Fabian, G. A1 - Burkhardt, M. A1 - Senz, R. T1 - Screening von aeroben mikrobiellen Konversionsvorgängen in Biotransformationen, Abbau- und Stoffwechselprozessen mit direkter GC-SPME-Analytik T2 - ANAKON 2009 T2 - ANAKON 2009 CY - Berlin, Germany DA - 2009-03-17 PY - 2009 AN - OPUS4-20775 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Richter, Janine A1 - Lischka, Susanne A1 - Piechotta, Christian T1 - Analysis of arsenic species in fish after derivatization by GC-MS JF - Talanta N2 - The derivatization of organoarsenic compounds by different reagents like thioglycolates or dithiols and the subsequent analysis by GC–MS as a molecular specific technique was investigated and described. The possible derivatization reagents methyl- and ethylthioglycolate (TGM and TGE), 1,3-propane- and 1,5-pentanedithiol (PDT and PeDT), which transfer the polar and nonvolatile analytes dimethylarsenate (DMA), monomethylarsonate (MMA), arsenite and arsenate into volatile compounds, were evaluated. The application for real samples like fish material was also studied. In addition the gas chromatographic separation and resolution was optimized and experiments were carried out to determine the highest derivatization rates. Derivatization reagents were evaluated in terms of quantity and stability of the formed chemical species. All derivatization products were characterized by mass spectrometry in order to identify the separated arsenic species. The most efficient conversion of DMA and MMA was observed by using ethylthioglycolate as derivatization agent. Finally, the derivatization procedure and the GC–MS-method were validated to determine linearity, precision, selectivity, analytical limiting values and recoveries. For the proposed method a limit of detection (LOD) of 5.8 pg for DMA and 14.0 pg for MMA was found. The accuracy was established by comparing the mean value measured for DMA in the certified reference material BCR-627 (tuna fish) with the certified one. MMA was not quantified in marine samples due to its low content. In shrimp samples DMA was not detectable. For codfish a DMA-content of 0.20±0.004 mg kg-1, for 'Surströmming' an amount of 0.38±0.02 mg kg-1 and for herring, which showed the highest amount of DMA, a content of 1.15±0.03 mg kg-1 was determined. KW - Arsenic species analysis KW - Monomethylarsonate KW - Dimethylarsenate KW - Derivatization KW - Gas chromatography KW - Mass spectrometry PY - 2012 DO - https://doi.org/10.1016/j.talanta.2012.10.021 SN - 0039-9140 VL - 101 SP - 524 EP - 529 PB - Elsevier CY - Amsterdam AN - OPUS4-26931 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Rothe, Robert A1 - Prewing, Linda T1 - Analyse von perfluorierten Chemikalien - LC-MS vs. GC-MS T2 - LC-MS in der Umweltanalytik 2012 T2 - LC-MS in der Umweltanalytik 2012 CY - Leipzig, Germany DA - 2012-06-11 PY - 2012 AN - OPUS4-26048 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Arroyo-Abad, Uriel A1 - Mattusch, J. A1 - Lischka, Susanne T1 - Identifizierung und analytische Betrachtung von Arsenolipiden in Hering T2 - Fachtagung 2013 des NRL für Schwermetalle in Futter- und Lebensmitteln T2 - Fachtagung 2013 des NRL für Schwermetalle in Futter- und Lebensmitteln CY - Berlin, Germany DA - 2013-12-03 PY - 2013 AN - OPUS4-29807 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fettig, Ina A1 - Krüger, Simone A1 - Deubel, Jan A1 - Werrel, Martin A1 - Raspe, Tina A1 - Piechotta, Christian T1 - Evaluation of a headspace solid-phase microextraction method for the analysis of ignitable liquids in fire debris JF - Journal of forensic sciences N2 - The chemical analysis of fire debris represents a crucial part in fire investigations to determine the cause of a fire. A headspace solid-phase microextraction (HS-SPME) procedure for the detection of ignitable liquids in fire debris using a fiber coated with a mixture of three different sorbent materials (Divinylbenzene/Carboxen/Polydimethylsiloxane, DVB/CAR/PDMS) is described. Gasoline and diesel fuel were spiked upon a preburnt matrix (wood charcoal), extracted and concentrated with HS-SPME and then analyzed with gas chromatography/mass spectrometry (GC/MS). The experimental conditions—extraction temperature, incubation and exposure time—were optimized. To assess the applicability of the method, fire debris samples were prepared in the smoke density chamber (SDC) and a controlled-atmosphere cone calorimeter. The developed methods were successfully applied to burnt particleboard and carpet samples. The results demonstrate that the procedure that has been developed here is suitable for detecting these ignitable liquids in highly burnt debris. KW - Forensic science KW - Arson analysis KW - Fire debris KW - Ignitable liquids KW - Solid-phase microextraction KW - Smoke density chamber KW - Cone calorimeter PY - 2013 UR - http://onlinelibrary.wiley.com/doi/10.1111/1556-4029.12342/full DO - https://doi.org/10.1111/1556-4029.12342 SN - 0022-1198 SN - 1556-4029 VL - 59 IS - 3 SP - 743 EP - 749 PB - Wiley CY - Hoboken, NJ, USA AN - OPUS4-30038 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Arroyo-Abad, Uriel A1 - Lischka, Susanne A1 - Piechotta, Christian A1 - Mattusch, J. A1 - Reemtsma, T. T1 - Determination and identification of hydrophilic and hydrophobic arsenic species in methanol extract of fresh cod liver by RP-HPLC with simultaneous ICP-MS and ESI-Q-TOF-MS detection JF - Food chemistry N2 - The present study was focused on the determination and identification of arsenic species in methanolic extracts of cod liver. Arsenic species were fractionated and the fractions analysed by RP-HPLC-ICP-MS coupled with ESI-Q-TOF-MS. The total concentration of arsenic in the fresh cod liver was analysed by ICP-MS to be 1.53 ± 0.02 mg As kg-1 w.w. and the extraction recovery was ca. 100% and the column recovery >93%. Besides polar inorganic and methylated arsenic species (>70%) more hydrophobic arsenic-containing fatty acids and hydrocarbons occurred. Based on the mass spectrometric data proposals for molecular structures were elaborated for 20 of the organic As species included 10 arsenic-containing fatty acids (AsFA) and an arsenic-containing hydrocarbon (AsHC) mentioned for the first time in fresh cod liver. Arsenobetaine was found as main water-soluble arsenic compound in cod liver followed by higher molecular mass arsenic-containing fatty acids and hydrocarbons. KW - Arsenic species KW - Arsenolipids KW - Marine fish KW - Cod liver KW - HPLC-ICP-MS/ESI-Q-TOF-MS PY - 2013 DO - https://doi.org/10.1016/j.foodchem.2013.05.152 SN - 0308-8146 VL - 141 IS - 3 SP - 3093 EP - 3102 PB - Elsevier CY - Amsterdam [u.a.] ; Jena AN - OPUS4-28852 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kalbe, Ute A1 - Berger, Wolfgang A1 - Bredow, Andrea A1 - Krüger, Oliver A1 - Piechotta, Christian A1 - Schoknecht, Ute T1 - Säulenperkolationsversuche mit perfluorierten Tensiden und Bioziden in Böden T2 - DBG-Jahrestagung 2013 - Tagungsband N2 - Säulenperkolationsversuche werden u.a. zur Ermittlung der Freisetzung von Schadstoffen aus Böden durchgeführt. Im Entwurf der novellierten Bundesboden-schutz- und Altlastenverordnung ist neben Schüttelverfahren (DIN 19527 und 19529) ein Säulenperkolationsverfahren (DIN 19528) zur Eluatgewinnung aus Böden festgeschrieben. Mit diesem Verfahren kann im Vergleich zu den Schüttelversuchen auch der zeitliche Verlauf der Schadstofffreisetzung erfasst und bewertet werden. Allerdings sind die Verfahren bisher nur für anorganische Stoffe und wenige prioritäre organische Schadstoffe validiert worden (PAK, MKW, PCB, Phenole). Aber auch Schadstoffe wie perfluorierte Tenside (PFT), die z.B. für die Veredlung von Papier, Textilien und Haushaltsgeräten eingesetzt werden oder Biozide, mit denen Bauprodukte zum Schutz vor mikrobiellem Befall ausgerüstet werden (z.B. Fassadenbeschichtungen und Holz), geraten auf Grund ihrer gesundheits- und umwelt-schädlichen Eigenschaften immer stärker in die Diskussion. T2 - DBG-Jahrestagung 2013 - Kommission VI - Böden - Lebensgrundlage und Verantwortung CY - Rostock, Germany DA - 07.09.2013 KW - Elutionsverfahren KW - Säulenperkolationsverfahren KW - Kontaminierte Böden KW - Organische Schadstoffe PY - 2013 N1 - Serientitel: Berichte der DBG – Series title: Berichte der DBG SP - 1 EP - 3 PB - DBG (Deutsche Bodenkundliche Gesellschaft) CY - Göttingen AN - OPUS4-29453 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steinhäuser, Lorin A1 - Piechotta, Christian A1 - Westphalen, Tanja A1 - Kaminski, Katja T1 - Evaluation, comparison and combination of molecularly imprinted polymer solid phase extraction and classical solid phase extraction for the preconcentration of endocrine disrupting chemicals from representative whole water samples JF - Talanta Open N2 - Estrogens are endocrine disrupting chemicals and of high concerns due to demonstrated harmful effects on the environment and low effect levels. For monitoring and risk assessment, several estrogens were included in the "watch list" of the EU Water Framework Directive which sets very low environmental quality standard (EQS) levels for Estrone (E1) and 17β-Estradiol (E2) of 0.4 ng L−1 and for 17α-Ethinylestradiol (EE2) of 0.035 ng L−1 requiring sensitive detection methods, as well as extensive sample preparation. A sensitive, derivatization-free, isotope dilution calibration HPLC-MS/MS method for a panel of 5 selected estrogens (including the 3 estrogens of the EU WFD watchlist), and a procedure for the reproducible preparation of a representative whole water matrix including mineral water, humic acids and solid particulate matter are presented. These are used in a diligent comparison of classical solid phase extraction (SPE) on hydrophilic-lipophilic balanced (HLB) phase to SPE on an estrogen-specific molecularly imprinted polymer phase (MISPE) for ultra-trace levels of the analytes (1–10 ng L−1). Additionally, a two-step procedure combining HLB SPE disks followed by MISPE is evaluated. The tow-step procedure provides superior enrichment, matrix removal and sample throughput while maintaining comparable recovery rates to simple cartridge SPE. Estimated method quantification limits (MQLs) range from 0.109–0.184 ng L−1 and thus meet EQS-levels for E1 and E2, but not EE2. The representative whole water matrix provides a reproducible comparison of sample preparation methods and lays the foundation for a certified reference material for estrogen analysis. The presented method will serve as the basis for an extended validation study to assess its use for estrogen monitoring in the environment. KW - Estrogens KW - Whole water samples KW - Molecular imprinted polymers KW - EU-WFD PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-563547 DO - https://doi.org/10.1016/j.talo.2022.100163 SN - 2666-8319 VL - 6 SP - 1 EP - 5 PB - Elsevier B.V. CY - Amsterdam, Niederlande AN - OPUS4-56354 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - von Törne, Jannik Wipert A1 - Piechotta, Christian A1 - Karnstedt, L. T1 - Einblicke in das Transformationsverhalten von Warfarin T2 - Umwelteinflüsse erfassen, simulieren, bewerten N2 - Warfarin ist seit den 1950er Jahren einer der bekanntesten Gerinnungshemmer. Beim Menschen wird es bis heute zur Vorbeugung von Thrombose und der Behandlung von Vorhofflimmern und Arrhythmie eingesetzt. Doch schon einige Jahre vor der FDA Zulassung (U. S. Food and Drug Administration) als Medikament wurde es zur Bekämpfung von Nagetieren eingesetzt. Bis heute wurde es nur teilweise durch weitaus wirksamere antikoagulante Rodentizide (ARs) der zweiten Generation, sogenannte Superwarfarine, ersetzt. In der Fachliteratur finden sich zahlreiche Beispiele für sekundäre und tertiäre Vergiftung mit ARs bei Wildtieren und anderen Nichtzieltieren. Bisher ist relativ wenig über die Bioakkumulation, Persistenz und Toxizität von ARs und deren Transformationsprodukten (TPs) in der terrestrischen und aquatischen Umwelt, sowie der Nahrungskette bekannt. Um Einblicke in mögliche Transformations- und Abbauprozesse von Warfarin unter umweltrelevanten Bedingungen zu erhalten und um diese Einflüsse zu simulieren, wurde hierzu eine elektrochemische Reaktorzelle in Kopplung mit einem Massenspektrometer verwendet. So können mögliche Phase-I-Metabolite und sogenannte „oxidation products“ vorausgesagt werden. Hinsichtlich des Verhaltens während der Wasseraufbereitung in Kläranlagen wurden technisch relevante Prozesse wie Chlorung, UV-Bestrahlung und Ozonung in Modellen simuliert, um hier potenzielle Abbauwege und -prozesse aufzuklären. Gebildete Transformationsprodukte wurden daher mittels unterschiedlicher chromatografischer Verfahren getrennt und massenspektrometrisch identifiziert, charakterisiert und verglichen. T2 - 49. Jahrestagung der GUS 2020 CY - Stutensee, Blankenloch DA - 24.03.2021 KW - Warfarin KW - Transformationsprodukte KW - Umweltverhalten PY - 2021 SN - 978-3-9818507-6-5 VL - 49 SP - 265 EP - 272 AN - OPUS4-53963 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Steinhäuser, Lorin A1 - Lardy-Fontan, S. A1 - Lalere, B. A1 - Le Diouron, V. A1 - Heath, E. A1 - Ana Kovačič, A. A1 - Potalivo, M. A1 - de Zorzi, P. A1 - Centioli, D. A1 - Naykki, T. A1 - Viidanoja, J. A1 - Gökcen, T. A1 - Budzinski, H. A1 - Le Menach, K. A1 - Selih, V. T1 - EDC-WFD: A project to deliver reliable measurements for better monitoring survey and risks assessments. N2 - Monitoring programs should generate high-quality data on the concentrations of substances and other pollutants in the aquatic environment to enable reliable risk assessment. Furthermore, the need for comparability over space and time is critical for analysis of trends and evaluation of restoration of natural environment. Additionally, research work and exercises at the European level have highlighted that reliable measurements of estrogenic substances at the PNEC level are still challenging to achieve. The project EDC-WFD Metrology for monitoring endocrine disrupting compounds under the EU Water Framework Directive aims to develop traceable analytical methods for determining endocrine disrupting compounds and their effects, with a specific focus on three estrogens of the first watch list (17-beta-estradiol (17βE2), 17-alpha-ethinylestradiol (EE2), and estrone (E1)). Estrogens 17-alpha-estradiol (17E2) and estriol (E3) will be included to demonstrate the reliability of the developed methods and to support the requirements of Directive 2013/39/EC, Directive 2009/90/EC and Commission Implementation Decision (EU) 2018/840, hence improving the comparability and compatibility of measurement results within Europe. During the EDC-WFD project four selected effect-based methods (EBM) will be deeply investigated in order to improve their rationale use and their support in water quality assessment. In particular, the EBM sensitivity, specificity and accuracy on reference materials with single or mixture solutions of the five substances at a concentration of EQS values will be explored. This contribution will present the objectives and methods applied within the EDC-WFD project. T2 - EuChemS CY - Lisbon, Portugal DA - 29.08.2022 KW - WFD KW - Estrogens KW - Whole water samples KW - EQS PY - 2022 AN - OPUS4-57096 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Kovačič, A. A1 - Steinhäuser, Lorin A1 - Heath, E. A1 - Lardy-Fontan, S. T1 - A method for monitoring estrogens in whole surface waters by GC-MS/MS N2 - Natural and synthetic estrogens are key endocrine-disrupting chemicals. Despite occurring at ultra-trace levels (below ng L-1), it is believed that they are contributing to an increase in feminized fish and other endocrine disruptive effects, and hence, their inclusion in the Watch list was not unexpected. One of the main sources ofestrogens to surface waters is wastewater effluent. Once in surface waters, they can partition into different compartments, i.e., water and suspended particulate matter. For this reason, there is an urgent need for a methodology to monitor estrogen levels below the environmental quality standards (EQS) set by the Water Framework Directive requirements. In this study, a precise and accurate gas chromatography-mass spectrometry method (GC-MS/MS) for the analysis of estrone (E1), 17β-estradiol (17β-E2), 17α-estradiol (17α- E2), 17-alpha-ethinylestradiol (EE2), and estriol (E3) in whole water samples with ng L-1 limit of quantification (LOQ) was developed and validated in accordance with CEN/TS 16800:2020 guidelines. T2 - IMSC 2022 CY - Maastricht, Netherlands DA - 27.08.2022 KW - EDC KW - WFD KW - GC-MS PY - 2022 AN - OPUS4-57097 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Arroyo-Abad, Uriel A1 - Mattusch, J. A1 - Lischka, Susanne T1 - Analytische Betrachtung von neu identifizierten Arsenolipiden in Hering T2 - LC-MS in der Umweltanalytik 2014 T2 - LC-MS in der Umweltanalytik 2014 CY - Leipzig DA - 2014-06-16 PY - 2014 AN - OPUS4-31855 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Arroyo-Abad, Uriel A1 - Mattusch, J. A1 - Reemtsma, T. T1 - Synthesis of arsenolipids and their characterization by LC-MS and NMR techniques T2 - LC-MS in der Umweltanalytik 2014 T2 - LC-MS in der Umweltanalytik 2014 CY - Leipzig DA - 2014-06-16 PY - 2014 AN - OPUS4-31856 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Arroyo-Abad, Uriel A1 - Mattusch, J. A1 - Reemtsma, T. A1 - Piechotta, Christian T1 - Arsenolipids in commercial canned cod liver: An occurence and distribution study JF - European journal of lipid science and technology N2 - Arsenolipids (AsL) of the type arsenic-containing fatty acids (AsFA) and hydrocarbons (AsHC) are known to occur in seafood and their identification is today a challenge due to the need of data for toxicological assessment. The aim of this investigation was to enhance the data concerning AsL in commercial canned cod liver. Therefore, the present study focuses on the quantification and identification of AsL by LC–ICP-MS combined with ESI-MS. The molecular structure of 17 AsL was elucidated on the basis of their exact mass and their product ion spectra and two new AsFA tentatively identified. The total arsenic concentration in four different canned cod liver analyzed by ICP-MS ranged from 2.6 to 5.5 mg As/kg with an extraction recovery of 98%. The AsL detected by RP-IPC–MS comprise 58–95% of the total arsenic content, indicating that AsL are a major class of arsenic in canned cod liver. Much of the AsL detected in the canned cod liver extracts are, however, not yet identified. Practical applications: The results obtained in the present research show the possibility to apply the current extraction and detection method in different biological samples for the determination of AsL. Additionally, this information can be used for further studies to assess the risk of AsL for consumer health. On the other hand, the MS/MS results could be used for the future identification of AsL without the ICP-MS detection and thus, low the cost of the analysis. KW - Arsenolipids KW - Canned cod liver KW - ESI-MS/MS KW - HPLC-ICP-MS/ESI-Q-TOF-MS KW - Marine fish PY - 2014 DO - https://doi.org/10.1002/ejlt.201400144 SN - 1438-7697 SN - 1438-9312 VL - 116 SP - 1381 EP - 1387 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-31070 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Schmidt, Sebastian A1 - Win, Tin A1 - Nehls, Irene T1 - Commercial Linear AlkylbenzeneSulfonate (LAS) - Analysis by GC-FID/MS and 1H-qNMR - T2 - 5. Conference über Ionenanalyse T2 - 5. Conference über Ionenanalyse CY - Berlin, Germany DA - 2009-03-02 PY - 2009 AN - OPUS4-19017 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Klyk-Seitz, Urszula-Anna A1 - Cossmer, Antje A1 - Nehls, Irene T1 - Determination of Tributyltin (TBT) at Sub-ppt Level in Whole Water Samples T2 - The Future of Reference Materials - Science and Innovation - IRMM T2 - The Future of Reference Materials - Science and Innovation - IRMM CY - Geel, Belgium DA - 2010-11-23 PY - 2010 AN - OPUS4-22457 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Cossmer, Antje A1 - Klyk-Seitz, Urszula-Anna A1 - Nehls, Irene T1 - Quantification of Tributyltin (TBT) at Sub-ppt Level in Whole Water Samples T2 - Canas 2011 T2 - Canas 2011 CY - Leipzig, Germany DA - 2011-03-13 PY - 2011 AN - OPUS4-23249 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Krüger, Simone A1 - Fettig, Ina A1 - Deubel, Jan A1 - Riexinger, D. A1 - Raspe, Tina A1 - Nehls, Irene T1 - Chemische Brandspurenanalytik - Methoden zum Nachweis von Brandbeschleunigern in Brandrückständen T2 - ANAKON 2011 T2 - ANAKON 2011 CY - Zurich, Switzerland DA - 2011-03-22 PY - 2011 AN - OPUS4-23251 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kuhlich, Paul A1 - Emmerling, Franziska A1 - Piechotta, Christian A1 - Nehls, Irene T1 - Methyl 3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (AHTN-COOMe) JF - Acta crystallographica E N2 - Crystals of the title compound, C18H26O2, were grown from ethyl acetate. Due to the racemic precursor, the title compound is also obtained as a racemate. Disorder was observed during structure refinement, originating from two possible half-chair conformations of the non-aromatic ring. The disorder was refined by introducing split positions in the cyclo-hexane ring regarding the two possible R and S-enantiomers at the chiral CH group [ratio 0.744 (3):0.256 (3)]. The crystal structure features pairs of inversion-related molecules connected by pairs of non-classical C–H···O hydrogen bonds. KW - AHTN KW - Tonalide KW - Cyclic musk KW - AHTN-COOMe KW - Disinfection by-product KW - Esterification PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-232769 DO - https://doi.org/10.1107/S1600536811002601 SN - 1600-5368 VL - E67 IS - 2 SP - o485, sup-1 EP - sup-11 PB - Munksgaard CY - Copenhagen AN - OPUS4-23276 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schmidt, Sebastian A1 - Piechotta, Christian A1 - Godejohann, M. A1 - Win, Tin A1 - Nehls, Irene A1 - Mügge, C. T1 - Characterisation of commercially available linear alkylbenzenesulfonates by LC-SPE-NMR/MS (liquid chromatography-solid phase extraction-nuclear magnetic resonance spectroscopy-mass spectroscopy) JF - Talanta N2 - Commercially available linear alkylbenzenesulfonates (LASs) are a mixture of various homologues and isomers, leading to 20 major species. In this work we investigated the commercial product by liquid chromatography-solid phase extraction-nuclear magnetic resonance spectroscopy-mass spectrometry (LC-SPE-NMR/MS). The commercial product was separated into 17 fractions by liquid chromatography (LC). After chromatographic separation, 5% of the flow was split to a mass spectrometer (MS) while 95% was send to post-column solid phase extraction cartridges for enrichment of the analytes (LC-SPE). After elution from the SPE-cartridges a NMR-spectrometer equipped with a cryo-probe was used for the characterisation of the different LASs species. For the first time H-1-1D and H-H-COSY spectra for 14 LASs species out of 20 major isomers are presented, whereas the 6 remaining species are detected as mixtures in 3 H-1-1D and H-H-COSY spectra. These data were used to correlate the chromatographic retention of the LASs isomers to the substitution pattern of the alkyl chain. KW - Linear alkylbenzenesulfonates KW - NMR KW - SPE KW - Liquid chromatography KW - Mass spectrometry KW - Surfactants PY - 2010 DO - https://doi.org/10.1016/j.talanta.2010.04.011 SN - 0039-9140 VL - 82 IS - 1 SP - 143 EP - 150 PB - Elsevier CY - Amsterdam AN - OPUS4-24004 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -