@article{KoberSchaeferHollertetal.2023, author = {Kober, Liane and Schaefer, Paul and Hollert, Henner and Frohme, Marcus}, title = {A novel strategy for high-throughput sample collection, analysis and visualization of explosives' concentrations for contaminated areas}, series = {International Journal of Environmental Science and Technology}, volume = {20}, journal = {International Journal of Environmental Science and Technology}, number = {2}, publisher = {Springer Nature}, issn = {1735-2630}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:526-opus4-15981}, pages = {1399 -- 1410}, year = {2023}, abstract = {The use of explosives has led to a widespread distribution of 2,4,6-trinitrotoluene (TNT) and its by- and degradation products in the soil on former production and testing sites. The investigation of those large contaminated sites is so far based on a few selected soil samples, due to high costs of conventional HPLC and GC analysis, although huge differences in concentrations can already be found in small areas and different collection depths. We introduce a novel high-throughput screening system for those areas, which combines a smartphone-based collection of GPS data and soil characteristics with a fast MALDI-TOF MS quantification of explosives in soil sample extracts and finally a heatmap visualization of the explosives' spread in soil and an analysis of correlation between concentrations and soil characteristics. The analysis of a 400 m2 area presented an extensive contamination with TNT and lower concentrations of the degradation and by-products aminodinitrotoluenes (ADNT) and dinitrotoluenes (DNT) next to a former production facility for TNT. The contamination decreased in deeper soil levels and depended on the soil type. Pure humus samples showed significantly lower contaminations compared to sand and humus/sand mixtures, which is likely to be caused by an increased binding potential of the humic material. No correlation was found between the vegetation and the concentration of explosives. Since the results were obtained and visualized within several hours, the MALDI-TOF MS based comprehensive screening and heatmap analysis might be valuable for a fast and high-throughput characterization of contaminated areas.}, language = {en} } @article{KoberMeyerAlertGrienitzetal.2015, author = {Kober, Liane and Meyer-Alert, Henriette and Grienitz, Desir{\´e}e and Hollert, Henner and Frohme, Marcus}, title = {Intact cell mass spectrometry as a rapid and specific tool for the differentiation of toxic effects in cell-based ecotoxicological test systems}, series = {Analytical and Bioanalytical Chemistry}, volume = {407}, journal = {Analytical and Bioanalytical Chemistry}, number = {25}, issn = {1618-2650}, doi = {10.1007/s00216-015-8937-2}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:526-opus4-5900}, pages = {7721 -- 7731}, year = {2015}, abstract = {In the last few decades, MALDI-TOF MS has become a useful technique not only in proteomics, but also as a fast and specific tool for whole cell analysis through intact cell mass spectrometry (IC-MS). The present study evaluated IC-MS as a novel tool for the detection of distinct patterns that can be observed after exposure to a certain toxin or concentration by utilizing the eukaryotic fish cell line RTL-W1. Two different viability assays were performed to define the range for IC-MS investigations, each of which employing copper sulfate, acridine, and β-naphthoflavone (BNF) as model compounds for several classes of environmental toxins. The IC-MS of RTL-W1 cells revealed not only specific spectral patterns for the various toxins, but also that the concentration used had an effect on RTL-W1 profiles. After the exposure with copper sulfate and acridine, the spectra of RTL-W1 showed a significant increase of certain peaks in the higher mass range (m/z >7000), which is probably attributed to the apoptosis of RTL-W1. On the contrary, exposure to BNF showed a distinct change of ion abundances only in the lower mass range (m/z <7000). Furthermore, a set of mass peaks could be identified as a specific biomarker for a single toxin treatment, so IC-MS demonstrates a new method for the distinction of toxic effects in fish cells. Due to fast sample preparation and high throughput, IC-MS offers great potential for ecotoxicological studies to investigate cellular effects of different substances and complex environmental samples.}, language = {en} } @misc{GeringKoberBroedeletal.2017, author = {Gering, Vanessa and Kober, Liane and Br{\"o}del, Oliver and Koskei, Richard and Mugendi, Beatrice and Frohme, Marcus}, title = {LC-MS/MS als Methode zur Detektion und Quantifizierung der Inhaltsstoffe in Kaffee}, series = {Wissenschaftliche Beitr{\"a}ge 2017}, volume = {21}, journal = {Wissenschaftliche Beitr{\"a}ge 2017}, issn = {0949-8214}, doi = {10.15771/0949-8214_2017_1}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:526-opus4-9362}, pages = {7 -- 12}, year = {2017}, abstract = {Kaffee ist das wohl popul{\"a}rste Heißgetr{\"a}nk weltweit. Zwei botanische Arten sind f{\"u}r den Weltmarkt von Bedeutung und unterscheiden sich bez{\"u}glich ihres Anbaugebietes und der Inhaltsstoffe. Kaffee enth{\"a}lt {\"u}ber 850 bisher identifizierte Aromastoffe, welche den Geschmack bilden. Außerdem haben die Prozessierung der geernteten Kirsche bis zur Bohne, das R{\"o}stprofil und das Aufbr{\"u}hen einen großen Einfluss darauf. In dieser Arbeit wurde die Auswirkung der Prozessierungsmethode auf ausgew{\"a}hlte Inhaltsstoffe mit Hilfe der Fl{\"u}sssig-Chromatographie-Tandem-Massenspektroskopie (LC-MS/MS) untersucht. Daf{\"u}r wurden drei Prozessierungsmethoden, die unterschiedlich viel Wasser f{\"u}r das Abl{\"o}sen des Fruchtfleisches von den Kaffeekirschen ben{\"o}tigen, und zwei Kultursorten miteinander verglichen. Die Ergebnisse zeigten einen geringf{\"u}gig h{\"o}heren Gehalt der zwei wichtigsten Inhaltsstoffe Koffein und Chlorogens{\"a}ure in den Bohnen, bei deren Prozessierung im Eco-Pulper-Verfahren weniger Wasser eingesetzt wurde. Bis auf einen verringerten Gehalt an Saccharose wurde f{\"u}r weitere wichtige Inhaltsstoffe (Acrylamid, Niacin, Zitronens{\"a}ure und Vanillin) kein signifikanter Unterschied bei h{\"o}herem Wassereinsatz gefunden. Insofern man die untersuchten Inhaltsstoffe als Qualit{\"a}tsmarker betrachtet, ist im Vergleich zu den anderen Prozessierungsmethoden das Eco-Pulper-Verfahren die beste Wahl, insbesondere da es als wassersparende Methode einen entscheidenden Beitrag zur Nachhaltigkeit des Kaffeeanbaus leistet.}, language = {de} } @misc{KoberHanschkeMacholzetal.2018, author = {Kober, Liane and Hanschke, Christian and Macholz, Rainer and Frohme, Marcus}, title = {Die einfache Extraktion und Quantifizierung von sprengstofftypischen Verbindungen in Bodenproben {\"u}ber LC-MS/MS}, series = {Wissenschaftliche Beitr{\"a}ge 2018}, volume = {22}, journal = {Wissenschaftliche Beitr{\"a}ge 2018}, issn = {0949-8214}, doi = {10.15771/0949-8214_2018_1}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:526-opus4-10219}, pages = {7 -- 16}, year = {2018}, abstract = {Die Kontamination von Fl{\"a}chen mit R{\"u}stungsaltlasten durch sprengstofftypische Verbindungen (STV) wie 2,4,6-Trinitrotoluol (TNT) ist nach wie vor ein großes Risiko f{\"u}r Gesundheit und Umwelt. Die Hochdruckfl{\"u}ssigchromatographie (HPLC) ist in Kombination mit der Tandem-Massenspektrometrie (MS/MS) ein besonders sensitives und exaktes Verfahren zur Konzentrationsbestimmung derartiger Umweltkontaminanten. Jedoch ben{\"o}tigen die derzeit eingesetzten Methoden zur Extraktion und Quantifizierung viel Zeit und Bodenmaterial. Wir haben daher eine 20-min{\"u}tige LC-MS/MS-Methode entwickelt, die in einer Probe simultan acht STV qualitativ und quantitativ nachweisen kann. Im Vergleich zur EPA-Referenzmethode konnte bei der Extraktion die eingesetzte Bodenmenge von 10 g auf 2 g reduziert und die Extraktionsdauer von 18 h auf 30 min verk{\"u}rzt werden. Die abschließende Validierung zeigte eine gute Reproduzierbarkeit und mit etablierten Protokollen vergleichbare Detektions- (LOD) und Quantifizierungslimits (LOQ), so dass die optimierten Methoden f{\"u}r eine schnelle und zuverl{\"a}ssige Analyse von Realproben eingesetzt werden konnten.}, language = {de} } @article{KoberHollertFrohme2019, author = {Kober, Liane and Hollert, Henner and Frohme, Marcus}, title = {Quantification of nitroaromatic explosives in contaminated soil using MALDI-TOF mass spectrometry}, series = {Analytical and Bioanalytical Chemistry}, volume = {411}, journal = {Analytical and Bioanalytical Chemistry}, number = {23}, issn = {1618-2650}, doi = {10.1007/s00216-019-01976-y}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:526-opus4-12388}, pages = {5993 -- 6003}, year = {2019}, abstract = {Contamination from various sources is a global environmental and health threat, with mining and military activities in particular having spread nitroaromatic compounds, such as 2,4,6-trinitrotoluene and its degradation products and by-products, to the soil. The investigation and monitoring of large contaminated areas requires new detection methods since the established ones are expensive and time-consuming. Hence, we established a matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI--TOF MS) method using 1,5-diaminonaphthalene as the matrix substance and an internal standard for quantification. Analyzing standard substances, we found specific signals for radical and fragment ions of different nitrotoluenes and nitrobenzenes with good reproducibility and detection limits down to 0.25 ng/μL. The analysis of soil sample extracts from a former production site showed clear signals for 2,4,6-trinitrotoluene and the primary degradation products aminodinitrotoluenes. Furthermore, quantification gave results comparable to those obtained by conventional liquid chromatography--tandem mass spectrometry analysis. The MALDI-TOF MS method has a comparatively lower reproducibility, with relative standard deviations of 6\% to 20\% for multiple measurements of standard solutions and soil sample extracts. Nevertheless, a comparison of both methods revealed the advantages of MALDI-TOF MS analysis of explosive-contaminated areas with regard to costs, time, and handling. Finally, our MALDI-TOF MS method fulfills all the needs for high sample throughput and can therefore be a valuable screening tool for explosive-contaminated areas.}, language = {en} }