TY - CONF A1 - Hahn, Marc Benjamin T1 - Quantifizierung der Schädigung von DNA in wässriger Lösung unter direkter Elektronenbestrahlung N2 - To cure cancer radiation therapy is used to kill tumor cells. It is based on radiation induced damage to biomolecules. Especially DNA damage is of key interest due to its central role in apoptosis and mutation. Because of the high amount of water in biological tissue, most of the damage is caused by the secondary particles produced by the inelastic scattering of ionizing radiation and water. A detailed understanding of the underlying molecular processes under physiological conditions is the prerequisite to develop more efficient therapies. Goal of this work is to quantify the DNA damage caused by ionizing radiation in dependence of the inelastic scattering events and the energy deposit within the microscopic target volume of biological relevance. The irradiations have to be performed in liquid, under consideration of the chemical environment. Therefore, a new combination of experiment and Monte-Carlo simulations was developed and tested. To make it possible to irradiate liquids with electrons within scanning electron microscopes a new sample holder was constructed incorporating an electron transparent nanomembrane. It makes it possible to irradiate DNA, proteins or cells at different pH, salinity and in the presence of cosolutes. %The most important results of this work are as follows: The median lethal dose for a model system of plasmid DNA and water was determined by the combination of experimental data, particle scattering simulations (Geant4-DNA) and diffusion calculations as D0.5=(1.7+-0.3) Gy. From the convolution of plasmid positions and the spatially resolved energy deposit, as determined by electron scattering simulations, the histogram of the energy deposit within the target volume of the plasmids and the microscopic median lethal energy deposit was calculated as E0.5=6+-4eV. It could be deduced that on average less than two ionization events are sufficient to cause a single-strand-break. The relation of single-strand-breaks (SSB) to double-strand-breaks (DSB), which is of importance for microdosimetric modeling, was determined as SSB:DSB = 12:1. The presented method for the determination of microscopic dose-damage relations was further extended to be applicable for general irradiation experiments. It becomes independent of the type of primary radiation used, the experimental geometry, and the diffusional properties of the molecules under investigation. This way different experimental systems with varying, inhomogeneous energy deposit characteristics become comparable with each other, which is not possible when only macroscopic averaged values are taken into account. In addition, the radiation protection properties of the compatible solute ectoine, as well as its influence on the water properties and biomolecules were investigated. %In addition, the influence of the compatible solute ectoine on water, biomolecules and its radiation protection properties were investigated. Raman spectroscopy revealed a concentration dependent increase of the collective water modes in the OH-stretching region, which was found to be independent of the sodium chloride concentration. Molecular dynamic simulations showed that the zwitterionic properties of ectoine lead to its half-chair conformation. The hydrogen bonds in the first hydration shell are more stable and have an increased lifetime compared to the bulk water. Irradiation experiments with DNA in the presence of 1M ectoine revealed an increase of the survival rate by a factor of 1.41 as compared to the absence of ectoine. The protective properties of ectoine result from the increase of the inelastic scattering probabilities of low energy electrons at the acoustic vibrational modes of water and its properties as OH-radical scavenger. This was shown by Raman spectroscopy and electron paramagnetic resonance measurements (EPR). T2 - Vortrag CY - Freie Universität Berlin, Germany DA - 14.02.2018 KW - DNA KW - Radiation damage KW - Ionizing radiation KW - DNA strand break KW - Dosimetry KW - Microdosimetry KW - Ectoine KW - Ectoine radiation protection KW - Salt KW - Water PY - 2018 AN - OPUS4-44280 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eisentraut, Paul A1 - Jekel, M. A1 - Altmann, Korinna T1 - Qualitätssicherung bei der Analyse von Mikroplastik per TED GC/MS N2 - Die Thermo Extraktion Desorption Gas Chromatograpie Massen Spektrometrie (TED-GC/MS) ist ein schnelles thermoanalytisches Verfahren zur Bestimmung von Gehalten an Mikroplastik (MP). Die Kombination aus teils schwerflüchtigen Analyten und Kältebrücken führt zu Memory-Effekten, denen u.a. durch häufige Blindwertmessungen begegnet werden muss. Reduzierte Probedurchsätze sind die Folge. Um Messergebnisse abzusichern und den Gerätestatus bei gleichzeitig hoher Messleistung überwachen zu können, wurde die sequentielle Standardmethode überarbeitet. T2 - Tagung der Wasserchemischen Gesellschaft 2022 CY - Online meeting DA - 23.05.2022 KW - Mikroplastik KW - Thermoanalytik KW - TED-GC/MS KW - Qualitätssicherung PY - 2022 AN - OPUS4-55087 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rhode, Michael A1 - Richter, Tim A1 - Erxleben, Kjell A1 - Schröpfer, Dirk A1 - Witt, Julia A1 - Özcan-Sandikcioglu, Özlem A1 - Kannengießer, Thomas T1 - Processing and application properties of multiple principal element alloys (MPEA) N2 - The presentation gives an overview of BAM's activities on processing influences and application properties of MPEAs in the form of joined and machined high and medium entropy alloys (CoCrFeMnNi and CoCrNi). In the case of welding, the focus is on defect-free welded joints with sufficient mechanical properties. In the case of machining, the focus is on the possible influence on the surface quality of the materials through adequate milling parameters. In addition, the hydrogen absorption and diffusion properties as well as the electrochemical corrosion behavior are fundamentally examined. T2 - FAU-Department Werkstoffwissenschaften, Seminar: Aktuelle Probleme der Werkstoffwissenschaften CY - Erlangen, Germany DA - 25.04.2024 KW - Welding KW - Application properties KW - Machining KW - High-entropy alloy KW - Hydrogen PY - 2024 AN - OPUS4-59975 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ricking, M. A1 - Braun, Ulrike A1 - Altmann, Korinna A1 - Eisentraut, Paul A1 - Reiche, M. A1 - Bannick, C.G. T1 - Probennahmestrategie für die kontinuierliche Mikrokunststoff-Analyse in Oberflächengewässern N2 - Das Poster stellt erste Ergebnisse zur Mikroplastik-Probennahme mit einem Sedimentationskasten dar. T2 - Wasser 2019 CY - Erfurt, Germany DA - 24.05.2019 KW - Mikroplastik KW - Sedimentationskasten KW - Probennahme PY - 2019 AN - OPUS4-49069 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Braun, Ulrike T1 - Principles for the development of standards for investigation procedures of plastics in environmental media and materials N2 - An overview about the current status of microplastic analysis is given with scope on hamonisation and standarisation. T2 - Annual ISO/TC 61 Meeting CY - Saitama, Japan DA - 24.09.2018 KW - Standardisation KW - Microplastic KW - Analysis PY - 2018 AN - OPUS4-46457 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna A1 - Milczewski, Frank A1 - Ciornii, Dmitri A1 - Hodoroaba, Dan T1 - Preliminary results of an interlaboratory comparison on microplastics organised by plasticsfate N2 - Microplastics are everywhere in the environment, but analytics is challenging. Since harmonisation is missing as well es suitable reference materials, BAM did under th umbrella of VAMAS funded by the EU Horizon 2020 project PlasticsFate a ILC for microplastic detection methods. Methods adressed were IR, Raman, Py-GC/MS and TED-GC/MS. The talk gives a first presentation and evaluation on the results. T2 - CUSP annual meeting and conference CY - Utrecht, Netherlands DA - 12.09.2023 KW - Microplastics KW - TED-GC/MS KW - Polymer 3R KW - Reference material KW - ILC on detection methods PY - 2023 AN - OPUS4-60036 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Weidner, Steffen A1 - Meyer, A. A1 - Falkenhagen, Jana A1 - Kricheldorf, H. R. T1 - Polycondensations and Cyclization of Poly(L-lactide) Ethyl Esters in the Solid State N2 - The usefulness of seven different Tin catalysts, Bismuth subsalicylate and Titan tetra(ethoxide) for the polycondensation of ethyl L-lactate (ELA) was examined at 150 °C/6 d. Dibutyltin bis(phenoxides) proved to be particularly effective. Despite the low reactivity of ELA, weight average molecular masses (Mw) up to 12 500 were found along with partial crystallization. Furthermore, polylactides (PLAs) of similar molecular masses were prepared via ELA-initiated ROPs of L-lactide by means of the four most effective polycondensation catalysts. The crystalline linear PLAs were annealed at 140 or 160 °C in the presence of these catalysts. The consequences of the transesterification reactions in the solid PLAs were studied by means of matrix-assisted laser desorption/ionization (MALDI TOF) mass spectrometry, gel permeation chromatography (GPC) and small-angle X-ray scattering (SAXS). The results indicate that polycondensation and formation of cycles proceed in the solid state via formation of loops on the surface of the crystallites. In summary, five different transesterification reactions are required to explain all results. KW - Polylactide KW - MALDI-TOF MS KW - Crystalinity PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-592934 DO - https://doi.org/10.1039/d3py01232h SN - 1759-9962 VL - 15 IS - 2 SP - 71 EP - 82 PB - RSC Publ. CY - Cambridge AN - OPUS4-59293 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna A1 - Müller, A. A1 - Kittner, Maria A1 - Braun, U. T1 - Plastik in Böden: Mikroplastik-Ergebnisse N2 - In diesem Vortrag geht um die Vorstellung der Ergebnisse des UBA Projektes Plastik in Böden. Es werden Mikroplastik-Gehalte in verschiedenen Böden präsentiert. T2 - Fachgespräch "Plastik in Böden" CY - Online meeting DA - 28.03.2022 KW - Mikroplastik KW - Mikroplastik Böden KW - Mikroplastik-Analytik PY - 2022 AN - OPUS4-54648 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna A1 - Müller, A. A1 - Kittner, Maria A1 - Braun, U. T1 - Plastik in Böden: Mikroplastik-Analytik N2 - Im Vortrag wir eine Methode zur Analyse von Mikroplastik in Böden dargestellt. Es geht dabei um die Probenvorbereitung und Detektion. T2 - Fachgespräch "Plastik in Böden" CY - Online meeting DA - 28.03.2022 KW - Mikroplastik KW - TED-GC/MS KW - Mikroplastik-Analytik KW - Methodenentwicklung Böden PY - 2022 AN - OPUS4-54646 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Braun, Ulrike A1 - Müller, Axel A1 - Grathwohl, P. A1 - Vogler, M. A1 - Scholz, K. T1 - Plastik im Boden, Aktueller Forschungsstand N2 - Der Vortrag gibt einen Überblick über ein laufendes Vorhaben zum Thema Mikroplastik in Böden. T2 - NUA-Veranstaltung "Plastik in Natur und Umwelt" CY - Münster, Germany DA - 08.03.2019 KW - Mikroplastik KW - Böden KW - Analytik PY - 2019 AN - OPUS4-47579 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Neamtu, Mariana A1 - Nadejde, C. A1 - Hodoroaba, Vasile-Dan A1 - Schneider, Rudolf A1 - Ababei, G. A1 - Panne, Ulrich T1 - Photocatalysis of γ-cyclodextrin-functionalised Fe3O4 nanoparticles for degrading Bisphenol A in polluted waters N2 - The efficiency, relatively low cost and eco-friendly nature of hydrogen peroxide-assisted photocatalysis treatment procedures are significant advantages over conventional techniques for wastewater remediation. Herein, we evaluate the behaviour of g-cyclodextrin (g-CD) immobilised on either bare or chitosan (CS)–functionalised Fe3O4 nanoparticles, for photodegrading Bisphenol A (BPA) in ultrapure water and in real wastewater samples. The BPA removal efficiencies with Fe3O4/g-CD and Fe3O4/CS/g-CD were compared with those of Fe3O4/b-CD, and were monitored under UVA irradiation at near-neutral pH. The addition of H2O2 at low concentrations (15 mmol L-1) significantly increased BPA photodegradation in the presence of each nanocomposite. The highest catalytic activity was shown by both Fe3O4/g-CD and Fe3O4/CS/g-CD nanocomposites (,60 and 27%BPA removal in ultrapure water and real wastewater effluent, respectively). Our findings reveal the superior performance of g-CD-functionalised Fe3O4 relative to that of Fe3O4/b-CD. The use of CD-based nanocomposites as photocatalytic materials could be an attractive option in the pre- or post-treatment stage of wastewaters by advanced oxidation processes before or after biological treatment. KW - Photooxidation KW - Sonochemical synthesis KW - Wastewater PY - 2019 DO - https://doi.org/10.1071/EN18181 SN - 1448-2517 VL - 16 IS - 2 SP - 125 EP - 136 PB - CSIRO Publishing CY - Clayton South AN - OPUS4-48316 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tumanova, N. A1 - Tumanov, N. A1 - Robeyns, K. A1 - Fischer, Franziska A1 - Fusaro, L. A1 - Morelle, F. A1 - Ban, V. A1 - Hautier, G. A1 - Filinchuk, Y. A1 - Wouters, J. A1 - Leyssens, T. A1 - Emmerling, Franziska T1 - Opening Pandora’s Box: Chirality, Polymorphism, and Stoichiometric Diversity in Flurbiprofen/Proline Cocrystals N2 - Proline has been widely used for various cocrystallization applications, including pharmaceutical cocrystals. Combining enantiopure and racemic flurbiprofen and proline, we discovered 18 new crystal structures. Liquid-assisted grinding proved highly efficient to explore all the variety of crystal forms. A unique combination of stateof-the-art characterization techniques, comprising variable temperature in situ X-ray diffraction and in situ ball-milling, along with other physicochemical methods and density functional theory calculations, was indispensable for identifying all the phases. Analyzing the results of in situ ball-milling, we established a stepwise mechanism for the formation of several 1:1 cocrystals via an intermediate 2:1 phase. The nature of the solvent in liquidassisted grinding was found to significantly affect the reaction rate and, in some cases, the reaction pathway. KW - Mechanochemistry KW - Polymorphs KW - In situ PY - 2018 UR - https://pubs.acs.org/doi/abs/10.1021/acs.cgd.7b01436 DO - https://doi.org/10.1021/acs.cgd.7b01436 VL - 18 IS - 2 SP - 954 EP - 961 PB - American Chemical Society AN - OPUS4-44365 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Sturm, Heinz A1 - Altmann, Korinna A1 - Braun, Ulrike T1 - Notwendigkeit von (Realistischen) Referenzmaterialien N2 - Die Herstellung von Mikroplastik Referenzmaterialien wird vorgestellt. T2 - Statusfonferenz der BMBF Fördermassnahme "Plastik in der Umwelt" CY - Berlin, Germany DA - 09.04.2019 KW - Ringversuch KW - Mikroplastik KW - Referenzmaterialien PY - 2019 AN - OPUS4-47798 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radtke, Martin T1 - News from the BAMline N2 - A presentation of recent measurements at the BAMline with focus on AI and ML applications T2 - Seminar: Strahlenphysikalische Anwendungen in Technik und Medizin CY - Vienna, Austria DA - 18.05.2022 KW - Synchrotron KW - BAMline KW - Bayesian Statistics KW - Gold KW - X-ray fluorescence PY - 2022 AN - OPUS4-56253 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Braun, Ulrike A1 - Altmann, Korinna A1 - Eisentraut, Paul A1 - Ricking, M. A1 - Reiche, M. A1 - Barthel, A.-K. A1 - Bannick, C. G. T1 - New sampling strategies for optimised microplastic analysis in surface waters N2 - The occurrence of microplastic particles (MP) in nearly each environmental compartment but especially in water is well documented in an increasing amount of publication within the last few years. However, a comprehensive understanding of MP occurrence, sources and pathways in the environment as well as effects of MP on the environment is still unclear. Many of the studies are not compatible, because they used different sampling, sample preparation and detection techniques, resulting in a very broad variation and very different dimension of archived results. Hence a useful avoiding strategy for reduction the MP entry in the environment is not possible. Furthermore, the existing methods are often very time consuming, need user knowledge and labour force, which is often not acceptable for the routine monitoring of an action or sanction. The call for harmonised methods become loud and louder and promising efforts are done in this area. However, the scientific discussion is often focus on advantages and disadvantages of detection tools and sample preparation, less initiative is given to the sampling strategy. That is a pity, because every environmental scientist knows, a good analytical result depend on a good sampling strategy. The sampling of water seems on the first view easy because the sampling process include already an up concentration of the MP by means of sieves and filters. However, this filtering of water is often limited by filter cake on the sieves, consisting of high amount of natural particular matter. Hence often a small water volume is filtered, which will not own a representative amount of trait carriers or complex sieves cascades are used, which need a high technical equipment. Recently we presented a fast thermoanalytical method for the detection of polymers fractions in water samples. This method, thermo-extraction desorption gas chromatography mass spectrometry (TED-GC-MS) can analyse MP in water filtrates without sample preparations within 2-3 hours. Advantageous is the additional analysis of rubber particles from tires beside the MP. In order to come even faster we now start to develop new sampling strategies, which should be use for different water systems. It is intended to reduce the effort in the field and to elongate times for sampling to obtain a representatives result without random effects. In the present presentation we will show first result using a sedimentation box for sampling of MP from surface water. Advantages and disadvantages will be discussed and comparison to data from conventional fractionated filtration will be given. T2 - SETAC CY - Helsinki, Finland DA - 26.05.2019 KW - Microplastics KW - Sampling KW - Sampling techniques KW - Water PY - 2019 AN - OPUS4-48118 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - You, Zengchao A1 - Weidner, Steffen A1 - Jakubowski, Norbert A1 - Panne, Ulrich T1 - Nanoparticles separation using capillary electrophoresis (CE) and asymmerical flow-field flow fractionation (AF4) N2 - Nowadays, different nanoparticles have been developed for commercial applications. However, since data on toxicity are barely available, their increasing application in cosmetic products, food and their release in the environment might cause severe problems. An accurate separation, identification and characterization of nanoparticles becomes increasingly important. A common method for nanoparticle separation, which was introduced in 1976 by Giddings, represents asymmetrical field-flow fractionation (AF4). It is a flow based separation method, which can be theoretically used to separate particles range from 1 nm to 50 µm. However, when the particles are smaller than 10 nm, separation with AF4 will become difficult to perform. Because in this case strong separation force, which induces aggregation of particles, should be applied. This will decrease recoveries of analytes and limit its application in accurate quantitative analysis. Capillary electrophoresis (CE) is another well-developed separation technique, in which samples will be separated in relation to their electrophoretic mobility. In recent years, CE has been used to separate different kinds of nanoparticles like, gold colloids or CdSe Quantum dots. However, till now only separation of particles smaller than 50 nm was reported. Because large size distribution of bigger particles will result in strong peak broadening and long separation time. A two-dimensional coupling of AF4 and CE might provide us a new separation method, which can extend the separation ranges of both methods and be a way to characterise particles with large size distributions. T2 - BAM PhD seminar CY - PhD seminar, Berlin, Germany DA - 22.06.2018 KW - Nanoparticles separation capillary electrophoresis asymmetrcial flow field flow fractionation PY - 2018 AN - OPUS4-47187 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - You, Zengchao A1 - Weidner, Steffen A1 - Jakubowski, Norbert A1 - Meermann, Björn A1 - Panne, Ulrich T1 - Nanoparticles separation using capillary electrophoresis N2 - Nowadays, different nanoparticles have been developed for commercial applications. However, since data on toxicity are barely available, their increasing application in cosmetic products, food and their release in the environment might cause severe problems. An accurate separation, identification and characterization of nanoparticles becomes increasingly important. A common method for nanoparticle separation, which was introduced in 1976 by Giddings, represents asymmetrical field-flow fractionation (AF4). It is a flow based separation method, which can be theoretically used to separate particles range from 1 nm to 50 µm. However, when the particles are smaller than 10 nm, separation with AF4 will become difficult to perform. Because in this case strong separation force, which induces aggregation of particles, should be applied. This will decrease recoveries of analytes and limit its application in accurate quantitative analysis. Capillary electrophoresis (CE) is another well-developed separation technique, in which samples will be separated in relation to their electrophoretic mobility. In recent years, CE has been used to separate different kinds of nanoparticles like, gold colloids or CdSe Quantum dots. However, till now only separation of particles smaller than 50 nm was reported. Because large size distribution of bigger particles will result in strong peak broadening and long separation time. A two-dimensional coupling of AF4 and CE might provide us a new separation method, which can extend the separation ranges of both methods and be a way to characterise particles with large size distributions. T2 - ESAS-CANAS Konferenz CY - Berlin, Germany DA - 21.03.2018 KW - Nanoparticles separation capillary electrophoresis asymmetrcial flow field flow fractionation PY - 2018 AN - OPUS4-47188 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute A1 - Keller, Lisa-Marie A1 - Scholz, Lena A1 - Weigert, Florian A1 - Radnik, Jörg A1 - Rühle, Bastian A1 - Bresch, Harald T1 - Nanocarriers – Challenges Imposed by Material Characterization N2 - A brief perspective of BAM on nanocarriers is presented including examples with special emphasis on the characterization of such materials and underlying challenges. In this respect, also ongoing activities at BAM on different types of core/shell nanomaterials and related systems are briefly summarized. T2 - Kolloquium BfR CY - Online meeting DA - 18.03.2021 KW - Nanomaterial KW - Nanocarrier KW - Size KW - Surface chemistry KW - Release kinetics KW - Chemical composition KW - Core/shell nanoparticle KW - Quantum dot KW - Spectroscopy KW - Fluorescence PY - 2021 AN - OPUS4-52412 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lauer, Franziska A1 - Diehn, Sabrina A1 - Seifert, Stephan A1 - Kneipp, Janina A1 - Sauerland, V. A1 - Barahona, C. A1 - Weidner, Steffen T1 - Multivariate analysis of MALDI imaging mass spectrometry data of mixtures of single pollen grains N2 - Here, we present an advanced approach to identify pollen grains in mixtures based on: - a simplified sample preparation procedure - MALDI imaging mass spectrometry - chemometric tools Our goals are to: - explore the biomolecular variations in pollen - determine species-specific peak patterns - discriminate and identify single pollen grains in mixtures using MSI T2 - 66th Conference on Mass Spectrometry and Allied Topics CY - San Diego, CA, USA DA - 03.06.2018 KW - Pollen PY - 2018 AN - OPUS4-45196 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lauer, Franziska A1 - Diehn, Sabrina A1 - Seifert, Stephan A1 - Kneipp, Janina A1 - Sauerland, V. A1 - Barahona, C. A1 - Weidner, Steffen T1 - Multivariate analysis of MALDI imaging mass spectrometry data of mixtures of single pollen grains N2 - Mixtures of pollen grains of three different species (Corylus avellana, Alnus cordata, and Pinus sylvestris) were investigated by matrixassisted laser desorption/ionization time-of-flight imaging mass spectrometry (MALDI-TOF imaging MS). The amount of pollen grains was reduced stepwise from > 10 to single pollen grains. For sample pretreatment, we modified a previously applied approach, where any additional extraction steps were omitted. Our results show that characteristic pollen MALDI mass spectra can be obtained from a single pollen grain, which is the prerequisite for a reliable pollen classification in practical applications. MALDI imaging of laterally resolved pollen grains provides additional information by reducing the complexity of the MS spectra of mixtures, where frequently peak discrimination is observed. Combined with multivariate statistical analyses, such as principal component analysis (PCA), our approach offers the chance for a fast and reliable identification of individual pollen grains by mass spectrometry. KW - MALDI Imaging MS KW - Pollen grains KW - Multivariate Statistics KW - Hierarchical cluster analysis KW - Principal component analysis PY - 2018 DO - https://doi.org/10.1007/s13361-018-2036-5 SN - 1044-0305 SN - 1879-1123 VL - 29 IS - 11 SP - 2237 EP - 2247 PB - Springer AN - OPUS4-45607 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -