TY - JOUR A1 - Dorgerloh, Ute A1 - Theissen, H. A1 - Becker, Roland A1 - Hilbert, S. A1 - Nehls, Irene T1 - Probennahme und Quantifizierung von LHKW, Ethen und Methan in Grundwasser N2 - Der Einsatz aktiver (Pumpprobennahme, Schöpfprobennahme) und passiver (Diffusionsprobennahme) Probennahmetechniken zur Gehaltsbestimmung von LHKW sowie Ethen und Methan in Grundwasser wird aus ordnungsbehördlicher Sicht hinsichtlich der Vergleichbarkeit von Analysendaten untersucht. Am Beispiel einer Kontamination mit Trichlorethen sowie 1,2-Dichlorethen und Vinylchlorid kann deutlich gemacht werden, dass die Einsatzmöglichkeit der passiven Probennahme durch unzureichende Strömungsverhältnisse im Aquifer sowie biologische Aktivität im Pegelrohr begrenzt ist. Der aktiven Probennahme ist bei ungeklärten oder unzureichenden Strömungsverhältnissen im Grundwasserleiter daher der Vorzug zu geben. Das gaschromatographische Verfahren für Vinylchlorid mittels Dampfraumtechnik wird um die Quantifizierung von Methan und Ethen erweitert. Dabei werden für die Bewertung von Altlasten relevante Bestimmungsgrenzen von 0,1 µg/l (Vinylchlorid, Ethen) sowie 5 µg/l (Methan) erreicht. Aus der Validierung der Analysenmethode und den Ergebnissen verschiedener Probennahmen werden Toleranzbereiche für die Ergebnisse eines Grundwassermonitorings abgeschätzt. Diese Streubreiten von Monitoring- Ergebnissen sollten von Ingenieurbüros und zuständigen Ordnungsbehörden bei der Bewertung der komplexen Abbauprozesse eines LHKW-Grundwasserschadens beachtet werden. KW - Passive sampling KW - Active sampling KW - Groundwater KW - Trichloroethene KW - Vinyl chloride KW - Methane PY - 2010 DO - https://doi.org/10.1007/s00767-010-0144-7 SN - 1430-483X VL - 15 IS - 4 SP - 231 EP - 239 PB - Springer CY - Berlin ; Heidelberg AN - OPUS4-22617 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dorgerloh, Ute A1 - Theißen, H. A1 - Becker, Roland A1 - Nehls, Irene T1 - Probenahme von LHKW in Grundwasser: Vergleich von aktiver und passiver Probenahme KW - Grundwasser KW - Probenahme KW - LHKW KW - Pumpprobe KW - Diffusionsprobe KW - PDB PY - 2009 SN - 1618-3258 SN - 1617-5301 VL - 15 IS - 4 SP - 85 EP - 87 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-20624 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scharkoi, O. A1 - Becker, Roland A1 - Esslinger, Susanne A1 - Weber, M. A1 - Nehls, Irene T1 - Predicting sites of cytochrome P450-mediated hydroxylation applied to CYP3A4 and hexabromocyclododecane N2 - This article describes a simple and quick in silico method for the prediction of cytochrome P450 (CYP)-mediated hydroxylation of drug-like compounds. Testosterone and progesterone, two known substrates of CYP3A4, are used to test the method. Further, we apply the procedure to predict sites of hydroxylation of isomers of the flame retardant hexabromocyclododecane by CYP3A4. Within the method, the compound is rotated in the binding pocket of the cytochrome, so that each hydrogen under consideration is placed near the active centre. Afterwards, short molecular dynamics simulations are provided for each step of the rotation. All steps of the simulation are compared concerning the distances between the hydrogens and the active centre and the corresponding energies. The computational results correlate well with experimental results. KW - Predicting sites of metabolism KW - Cytochrome P450 KW - Hydroxylation KW - Metabolism of HBCD PY - 2015 DO - https://doi.org/10.1080/08927022.2014.898845 SN - 0892-7022 SN - 1029-0435 VL - 41 IS - 7 SP - 538 EP - 546 PB - Gordon and Breach CY - New York, NY AN - OPUS4-30492 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scharkoi, O. A1 - Esslinger, Susanne A1 - Becker, Roland A1 - Weber, M. A1 - Nehls, Irene T1 - Phase I oxidation of alpha- and gamma-hexabromocyclododecane by cytochrome P450 enzymes: simulation of the steroisomerism of hydroxylated metabolites T2 - DIOXIN 2011 CY - Brussels, Belgium DA - 2011-08-21 KW - Bromierte Falmmschutzmittel KW - Hexabromcyclododecan KW - Cytochrom KW - Metaboliten KW - HPLC KW - Simulation PY - 2011 UR - http://www.dioxin20xx.org/pdfs/2011/1810.pdf SN - 1026-4892 VL - 73 SP - 730 EP - 733 AN - OPUS4-27263 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Walther, Wolfgang A1 - Becker, Roland A1 - Nehls, Irene A1 - Lehmann, Andreas A1 - Redlich, Christel A1 - Flemig, Sabine A1 - Dorgerloh, Ute A1 - Win, Tin A1 - Buge, Hans-Gerhard T1 - Pentchlorophenol (PCP) in Soil - Certified Reference Materials for Environmental Analysis T2 - Analytica Conference 2002 CY - Munich, Germany DA - 2002-04-23 PY - 2002 SP - 1(?) AN - OPUS4-1389 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nehls, Irene A1 - Becker, Roland A1 - Buge, Hans-Gerhard T1 - Pentachlorphenol - Eine Altlast im Holz PY - 2005 UR - http://archiv.aktuelle-wochenschau.de/2005/woche19/woche19.html IS - 19 SP - 1 EP - 2 PB - Gesellschaft Deutscher Chemiker CY - Frankfurt am Main AN - OPUS4-10845 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nehls, Irene A1 - Walther, Wolfgang A1 - Becker, Roland A1 - Lehmann, Andreas T1 - Pentachlorophenol (PCP) in soil - certified reference materials BAM-U008 and BAM-U009 for environmental analysis T2 - Analytica Conference 2002 CY - Munich, Germany DA - 2002-04-23 PY - 2002 AN - OPUS4-5854 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Köppen, Robert A1 - Becker, Roland A1 - Jung, Christian A1 - Nehls, Irene T1 - On the thermally induced isomerisation of hexabromocyclododecane stereoisomers N2 - The interconversion of the stereoisomers contained in technical 1,2,5,6,9,10-hexabromocyclododecane, a major brominated flame retardant increasingly found in the environment and in biota, was investigated at elevated temperatures. The application of pure enantiomers of the three constituents α-, β-, and γ-HBCD enabled the unambiguous elucidation of the individual isomerisation reactions as well as the quantification of all respective rate constants. At 160 °C the rate constants range over two orders of magnitude from 1.50 × 10-3 to 1.88 × 10-5 mol(%) s-1. A preliminary mechanistic explanation for the differences of the rate constants which govern the composition of HBCD diastereomers at equilibrium is given. KW - Flame retardant KW - Diastereomers KW - Enantiomers KW - Rearrangement KW - Kinetics KW - HBCD PY - 2008 DO - https://doi.org/10.1016/j.chemosphere.2007.11.009 SN - 0045-6535 SN - 0366-7111 VL - 71 IS - 4 SP - 656 EP - 662 PB - Elsevier Science CY - Kidlington, Oxford AN - OPUS4-17753 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Retter, Utz A1 - Koch, Matthias A1 - Nehls, Irene T1 - On the improvement of the standard method DIN 38409 T2 - Institutskolloquium CY - Thessaloniki, Greece DA - 2000-11-29 PY - 2000 AN - OPUS4-1028 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fischer-Tenhagen, C. A1 - Johnen, D. A1 - Heuwieser, W. A1 - Becker, Roland A1 - Schallschmidt, Kristin A1 - Nehls, Irene T1 - Odor Perception by Dogs: Evaluating Two Training Approaches for Odor Learning of Sniffer Dogs N2 - In this study, a standardized experimental set-up with various combinations of herbs as odor sources was designed. Two training approaches for sniffer dogs were compared; first, Training with a pure reference odor, and second, training with a variety of odor mixtures with the target odor as a common denominator. The ability of the dogs to identify the target odor in a new context was tested. Six different herbs (basil, St. John’s wort, dandelion, marjoram, parsley, ribwort) were chosen to produce reference materials in various mixtures with (positive) and without (negative)chamomile as the target odor source. The dogs were trained to show 1 of 2 different behaviors, 1 for the positive, and 1 for the negative sample as a yes/no task. Tests were double blind with one sample presented at a time. In both training approaches, dogs were able to detect chamomile as the target odor in any presented mixture with an average sensitivity of 72% and a specificity of 84%. Dogs trained with odor mixture containing the target odor had more correct indications in the transfer task. KW - dog training KW - herbs KW - reference materials, KW - scent dog KW - smell KW - training model PY - 2017 DO - https://doi.org/10.1093/chemse/bjx020 SN - 1464-3553 SN - 0379-864X VL - 42 IS - 5 SP - 435 EP - 441 PB - Oxford University Press AN - OPUS4-40786 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Neuhof, Torsten A1 - Koch, Matthias A1 - Rasenko, Tatjana A1 - Nehls, Irene T1 - Occurrence of zearalenone in wheat kernels infected with Fusarium culmorum N2 - The aim of this study was to investigate the distribution of zearalenone in wheat kernels contaminated with this mycotoxin. Kernels from a sample of a wheat harvest affected by Fusarium culmorum were sorted into six groups according to their visual attributes. Milled portions of these groups were analysed by high-performance liquid chromatography with fluorescence and diode array detection. The clean-up was performed with an immunoaffinity column after methanol/water (4:1, v/v) extraction. The zearalenone content of the unsorted kernel fraction was 74 µg/kg. The group of healthy-looking kernels was contaminated with only 6 µg/kg of zearalenone. The groups of kernels that appeared shrunken and chalky white, damage routinely caused by Fusarium, were contaminated with 170 and 117 µg/kg, respectively. A remarkably high level of zearalenone contamination, 2,184 µg/kg, was observed for the group of reddish kernels. An association between the presence of the red pigment aurofusarin and high levels of zearalenone was found. Therefore, this pigment may be used as a marker of high zearalenone content. KW - Zearalenone KW - Aurofusarin KW - Immunoaffinity column KW - HPLC-FLD/DAD PY - 2008 DO - https://doi.org/10.3920/WMJ2008.1055 SN - 1875-0710 SN - 1875-0796 VL - 1 IS - 4 SP - 429 EP - 435 PB - Wageningen Academic Publishers CY - Wageningen AN - OPUS4-18329 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nehls, Irene A1 - Wachholz, Sigrid A1 - Lehnik-Habrink, Petra A1 - Becker, Roland A1 - Win, Tin T1 - Neue Referenzmaterialien für die organische Analytik als Instrumente der Qualitätssicherung T2 - Tagung "Tag der Chemie" CY - Potsdam, Deutschland DA - 2000-11-08 PY - 2000 AN - OPUS4-1000 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nehls, Irene A1 - Wachholz, Sigrid A1 - Lehnik-Habrink, Petra A1 - Becker, Roland A1 - Win, Tin T1 - Neue Referenzmaterialien für die organische Analytik als Instrumente der Qualitätssicherung T2 - Tag der Chemie, Wissenschaftspark Golm CY - Potsdam, Germany DA - 2000-11-08 PY - 2000 AN - OPUS4-5725 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Koch, Matthias A1 - Köppen, Robert A1 - Nehls, Irene T1 - Neue Mykotoxin-Referenzmaterialien - Qualitätssicherung in der Lebensmittelanalytik N2 - Die zuverlässige Überwachung geltender Mykotoxin-Grenzwerte ist elementarer Bestandteil von Lebensmittelsicherheit und Verbraucherschutz. Durch die zunehmende Bedeutung der Qualitätssicherung ist auch die Nachfrage an zertifizierten Referenzmaterialien (ZRM) in den letzten Jahren deutlich gestiegen. Dem steht derzeit jedoch nur eine sehr begrenzte Auswahl geeigneter ZRM gegenüber. KW - Zertifiziertes Referenzmaterial KW - ERM KW - Ochratoxin A KW - Deoxynivalenol KW - Nivalenol KW - Zearalenon KW - Kaffee KW - Wein KW - Weizen PY - 2011 SN - 0012-0413 SN - 1869-2214 IS - September SP - 434 EP - 448 PB - Wiss. Verl.-Ges. CY - Stuttgart AN - OPUS4-24616 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Köppen, Robert A1 - Koch, Matthias A1 - Klein-Hartwig, Karin A1 - Nehls, Irene T1 - Natürliche Umwelt- und Lebensmitteltoxine: Herstellung eines Referenzmaterials für die Mykotoxine T-2 und HT-2 PY - 2010 SN - 0934-3504 SN - 1865-5084 VL - 22 IS - 4 SP - 407 PB - Springer CY - Heidelberg AN - OPUS4-22205 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mönch, Bettina A1 - Emmerling, Franziska A1 - Kraus, Werner A1 - Becker, Roland A1 - Nehls, Irene T1 - n-Propyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside N2 - The title compound [systematic name: (2R,3R,4S,5R,6R) 2-(acetoxymethyl)-6-propoxytetrahydro-2H-pyran-3,4,5-triyl triacetate], C17H26O10, was formed by a Koenigs-Knorr reaction of 2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide and n-propanol. The central ring adopts a chair conformation. The crystal does not contain any significant interactions such as hydrogen bonds. PY - 2013 DO - https://doi.org/10.1107/S1600536812051495 SN - 1600-5368 VL - 69 IS - Part 2 SP - o158, sup-1 - sup-7 PB - Munksgaard CY - Copenhagen AN - OPUS4-27439 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nehls, Irene A1 - Hanebeck, Olaf A1 - Becker, Roland A1 - Emmerling, Franziska T1 - N-(beta-carboxyethyl)-alpha-isoleucine N2 - The title compound, {2-[(2-carbamoylethyl)amino]-3-methylpentanoic acid}, C9H18N2O3, is of interest with respect to its biological activity. It was formed during an addition reaction between acrylamide and the amino acid isoleucine. The crystal structure is a three-dimensional network built up by intermolecular N–H···O and O–H···N hydrogen bonds. KW - Acrylamid KW - Isoleucin KW - Derivatisierung PY - 2013 DO - https://doi.org/10.1107/S160053681205146X SN - 1600-5368 VL - 69 IS - Part 2 SP - o172-o173, sup-1 - sup-7 PB - Munksgaard CY - Copenhagen AN - OPUS4-27573 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Köppen, Robert A1 - Koch, Matthias A1 - Nehls, Irene A1 - Sulyok, M. A1 - Schuhmacher, R. A1 - Krska, R. T1 - Multimykotoxin-Analytik - Giftstoffe verschiedener Schimmelpilzarten in Lebensmitteln PY - 2009 SN - 0016-3538 VL - 8 SP - 494 EP - 497 PB - GIT-Verlag CY - Darmstadt AN - OPUS4-19912 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Köppen, Robert A1 - Koch, Matthias A1 - Nehls, Irene A1 - Sulyok, M. A1 - Schuhmacher, R. A1 - Krska, R. T1 - Multimykotoxin-Analytik - Giftstoffe verschiedener Schimmelpilzarten in Lebensmitteln PY - 2009 SN - 1619-8662 SN - 0946-7726 VL - 9-10 SP - 34 EP - 37 PB - GIT-Verlag CY - Darmstadt AN - OPUS4-20139 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lehnik-Habrink, Petra A1 - Hein, Sebastian A1 - Win, Tin A1 - Bremser, Wolfram A1 - Nehls, Irene T1 - Multi-residue analysis of PAH, PCB, and OCP optimized for organic matter of forest soil KW - DDT breakdown KW - Extraction efficiency KW - Forest soil KW - Multi-residue analysis KW - Organic pollutants KW - Soil organic matter PY - 2010 DO - https://doi.org/10.1007/s11368-010-0241-3 SN - 1439-0108 VL - 10 IS - 8 SP - 1487 EP - 1498 PB - Springer CY - Berlin; Heidelberg AN - OPUS4-22945 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -