TY - JOUR A1 - Lück, S. A1 - Kupsch, Andreas A1 - Lange, Axel A1 - Hentschel, Manfred P. A1 - Schmidt, V. T1 - Statistical analysis of tomographic reconstruction algorithms by morphological image characteristics N2 - We suggest a procedure for quantitative quality control of tomographic reconstruction algorithms. Our task-oriented evaluation focuses on the correct reproduction of phase boundary length and has thus a clear implication for morphological image analysis of tomographic data. Indirectly the method monitors accurate reproduction of a variety of locally defined critical image features within tomograms such as interface positions and microstructures, debonding, cracks and pores. Tomographic errors of such local nature are neglected if only global integral characteristics such as mean squared deviation are considered for the evaluation of an algorithm. The significance of differences in reconstruction quality between algorithms is assessed using a sample of independent random scenes to be reconstructed. These are generated by a Boolean model and thus exhibit a substantial stochastic variability with respect to image morphology. It is demonstrated that phase boundaries in standard reconstructions by filtered backprojection exhibit substantial errors. In the setting of our simulations, these could be significantly reduced by the use of the innovative reconstruction algorithm DIRECTT. KW - Tomography KW - Computed tomography KW - Reconstruction algorithm KW - Morphological image analysis KW - Phase boundary KW - Metrology KW - Non-destructive testing PY - 2010 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-210710 DO - https://doi.org/10.5566/ias.v29.p61-77 SN - 1580-3139 SN - 1854-5165 VL - 29 SP - 61 EP - 77 CY - Ljubljana, Slovenia AN - OPUS4-21071 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kasper, J. A1 - Hermanns, M. A1 - Bantz, C. A1 - Maskos, Michael A1 - Stauber, R. A1 - Pohl, C. A1 - Unger, R. E. A1 - Kirkpatrick, J.C. T1 - Inflammatory and cytotoxic responses of an alveolar-capillary coculture model to silica nanoparticles: comparison with conventional monocultures N2 - To date silica nanoparticles (SNPs) play an important role in modern technology and nanomedicine. SNPs are present in various materials (tyres, electrical and thermal insulation material, photovoltaic facilities). They are also used in products that are directly exposed to humans such as cosmetics or toothpaste. For that reason it is of great concern to evaluate the possible hazards of these engineered particles for human health. Attention should primarily be focussed on SNP effects on biological barriers. Accidentally released SNP could, for example, encounter the alveolar-capillary barrier by inhalation. In this study we examined the inflammatory and cytotoxic responses of monodisperse amorphous silica nanoparticles (aSNPs) of 30 nm in size on an in vitro coculture model mimicking the alveolar-capillary barrier and compared these to conventional monocultures. Methods Thus, the epithelial cell line, H441, and the endothelial cell line, ISO-HAS-1, were used in monoculture and in coculture on opposite sides of a filter membrane. Cytotoxicity was evaluated by the MTS assay, detection of membrane integrity (LDH release), and TER (Transepithelial Electrical Resistance) measurement. Additionally, parameters of inflammation (sICAM-1, IL-6 and IL-8 release) and apoptosis markers were investigated. Results Regarding toxic effects (viability, membrane integrity, TER) the coculture model was less sensitive to apical aSNP exposure than the conventional monocultures of the appropriate cells. On the other hand, the in vitro coculture model responded with the release of inflammatory markers in a much more sensitive fashion than the conventional monoculture. At concentrations that were 10-100fold less than the toxic concentrations the apically exposed coculture showed a release of IL-6 and IL-8 to the basolateral side. This may mimic the early inflammatory events that take place in the pulmonary alveoli after aSNP inhalation. Furthermore, a number of apoptosis markers belonging to the intrinsic pathway were upregulated in the coculture following aSNP treatment. Analysis of the individual markers indicated that the cells suffered from DNA damage, hypoxia and ER-stress. Conclusion We present evidence that our in vitro coculture model of the alveolar-capillary barrier is clearly advantageous compared to conventional monocultures in evaluating the extent of damage caused by hazardous material encountering the principle biological barrier in the lower respiratory tract. KW - Silica nanoparticles KW - Alveolar-capillary coculture model KW - Cytotoxicity PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-254217 DO - https://doi.org/10.1186/1743-8977-8-6 SN - 1743-8977 VL - 8 IS - 6 SP - 1 EP - 16(?) PB - BioMed Central CY - London AN - OPUS4-25421 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tölle, Florian A1 - Gumenyuk, Andrey A1 - Gebhardt, Moritz Oliver A1 - Rethmeier, Michael T1 - Post-weld residual stress mitigation by scanning of a defocused laser beam N2 - High welding residual stresses can cause service life reducing consequences. Even though many processes have been developed to reduce these stresses, they are only applicable for wider welds and simple component geometries or are cost-intensive, respectively. The presented method uses a defocused beam after welding for heating the material regions on both sides of the weld. In this way, the welding stresses are decreased without contacting the surfaces using the available equipment. Different process parameters could be used depending on the component geometry and the laser power. The mechanism and the influence of the process parameters were investigated by FEM-simulation and experiments on S355J2+N steel and showed a stress reduction of about 73%. T2 - Lasers in Manufacturing 2011 - Proceedings of the Sixth International WLT Conference on Lasers in Manufacturing CY - Munich, Germany DA - 23.05.2011 KW - Residual stresses KW - Stress reduction KW - High energy beam welding KW - Post-weld heat treatment KW - Laser scanner optics PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-238482 DO - https://doi.org/10.1016/j.phpro.2011.03.052 SN - 1875-3892 VL - 12 IS - 1 SP - 410 EP - 418 PB - Elsevier CY - Amsterdam [u.a.] AN - OPUS4-23848 LA - eng 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) 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 - Walter, Astrid A1 - Panne, Ulrich A1 - Weller, Michael G. T1 - A novel immunoreagent for the specific and sensitive detection of the explosive triacetone triperoxide (TATP) N2 - Triacetone triperoxide (TATP) is a primary explosive, which was used in various terrorist attacks in the past. For the development of biosensors, immunochemical µ-TAS, electronic noses, immunological test kits, or test strips, the availability of antibodies of high quality is crucial. Recently, we presented the successful immunization of mice, based on the design, synthesis, and conjugation of a novel TATP derivative. Here, the long-term immunization of rabbits is shown, which resulted in antibodies of extreme selectivity and more than 1,000 times better affinity in relation to the antibodies from mice. Detection limits below 10 ng L-1 (water) were achieved. The working range covers more than four decades, calculated from a precision profile. The cross-reactivity tests revealed an extraordinary selectivity of the antibodies—not a single compound could be identified as a relevant cross-reactant. The presented immunoreagent might be a major step for the development of highly sensitive and selective TATP detectors particularly for security applications. KW - Organic peroxides KW - Terrorism KW - Biosensor development PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-240291 UR - http://www.mdpi.com/2079-6374/1/3/93 DO - https://doi.org/10.3390/bios1030093 SN - 2079-6374 VL - 1 IS - 3 SP - 93 EP - 106 PB - MDPI CY - Basel AN - OPUS4-24029 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Müller, Sabine A1 - Niederleithinger, Ernst A1 - Bohlen, T. T1 - Reverse time migration: a seismic imaging technique applied to synthetic ultrasonic data N2 - Ultrasonic echo testing is a more and more frequently used technique in civil engineering to investigate concrete building elements, to measure thickness as well as to locate and characterise built-in components or inhomogeneities. Currently the Synthetic Aperture Focusing Technique (SAFT), which is closely related to Kirchhoff migration, is used in most cases for imaging. However, this method is known to have difficulties to image steeply dipping interfaces as well as lower boundaries of tubes, voids or similar objects. We have transferred a processing technique from geophysics, the Reverse Time Migration (RTM) method, to improve the imaging of complicated geometries. By using the information from wide angle reflections as well as from multiple events there are fewer limitations compared to SAFT. As a drawback the required computing power is significantly higher compared to the techniques currently used. Synthetic experiments have been performed on polyamide and concrete specimens to show the improvements compared to SAFT. We have been able to image vertical interfaces of step-like structures as well as the lower boundaries of circular objects. It has been shown that RTM is a step forward for ultrasonic testing in civil engineering. KW - Beton KW - Ultraschall KW - Concrete KW - Imaging KW - Ultrasonics KW - Reverse time migration PY - 2012 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-262952 DO - https://doi.org/10.1155/2012/128465 SN - 1687-8868 SN - 1687-885X VL - 2012 IS - Article ID 128465 SP - 1 EP - 7 PB - Hindawi Publishing Corporation CY - New York, NY, USA AN - OPUS4-26295 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pelkner, Matthias A1 - Neubauer, Andreas A1 - Reimund, Verena A1 - Kreutzbruck, Marc T1 - Routes for GMR-sensor design in non-destructive testing N2 - GMR sensors are widely used in many industrial segments such as information technology, automotive, automation and production, and safety applications. Each area requires an adaption of the sensor arrangement in terms of size adaption and alignment with respect to the field source involved. This paper deals with an analysis of geometric sensor parameters and the arrangement of GMR sensors providing a design roadmap for non-destructive testing (NDT) applications. For this purpose we use an analytical model simulating the magnetic flux leakage (MFL) distribution of surface breaking defects and investigate the flux leakage signal as a function of various sensor parameters. Our calculations show both the influence of sensor length and height and that when detecting the magnetic flux leakage of µm sized defects a gradiometer base line of 250 µm leads to a signal strength loss of less than 10% in comparison with a magnetometer response. To validate the simulation results we finally performed measurements with a GMR magnetometer sensor on a test plate with artificial µm-range cracks. The differences between simulation and measurement are below 6%. We report on the routes for a GMR gradiometer design as a basis for the fabrication of NDT-adapted sensor arrays. The results are also helpful for the use of GMR in other application when it comes to measure positions, lengths, angles or electrical currents. KW - Giant magneto resistance KW - Non-destructive testing KW - Magnetic flux leakage KW - Sensor array PY - 2012 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-271325 DO - https://doi.org/10.3390/s120912169 SN - 1424-8220 VL - 12 IS - 9 SP - 12169 EP - 12183 PB - MDPI CY - Basel AN - OPUS4-27132 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Poli, Marco A1 - Grätz, Rainer A1 - Schröder, Volkmar T1 - An experimental study on safety-relevant parameters of turbulent gas explosion venting at elevated initial pressure N2 - The effects of a gas explosion in enclosures like vessels can be limited e.g. by gas explosion venting systems. The major design step of this constructive explosion protection method is to determine the required vent area, which depends significantly on whether turbulent combustion exists. However, current standards like NFPA 68 or EN 14994 are applicable only to limited boundary conditions and as far as possible only to laminar flame propagation. Difficulties arise in the assessment or predictability of gas explosion hazard when turbulence occurs. In this research especially venting at elevated initial pressure has been shown to accelerated flame propagations and therefore, to a considerably higher reduced pressure. Therefore, it is essential to provide a broader data base of turbulent combustion and explosion behavior to verify the existing rules or to determine their safety-relevant parameters. For a better safety assessment or design of protective systems the turbulent combustion and accelerated gas explosion behaviour of quiescent methane and hydrogen in air were investigated at initial pressures up to 8 bar using vessels up to 100 litres. In particular a systematic study was performed to investigate the influence of turbulence on the overpressure development during accelerated gas explosion. Moreover, the present study consider the position of the spark igniters, the burning velocity and the maximum pressure rise for different concentration of fuel as well as the size of orifice and/or vent area. A choice of experimental tests showed under the investigated conditions that not only turbulence inducing obstacles but also over sized vent areas could lead to an increased pressure development and therefore to an inacceptable safety state. T2 - 20th International Congress of Chemical and Process Engineering CHISA 2012 CY - Prague, Czech Republic DA - 25.08.2012 KW - Gas explosion venting KW - Turbulent combustion KW - Obstacles PY - 2012 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-264288 DO - https://doi.org/10.1016/j.proeng.2012.07.398 SN - 1877-7058 VL - 42 SP - 90 EP - 99 PB - Elsevier CY - Amsterdam AN - OPUS4-26428 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Drogan, D. A1 - Sheldrick, A. J. A1 - Schütze, M. A1 - Knüppel, S. A1 - Andersohn, F. A1 - di Giuseppe, R. A1 - Herrmann, Bianca A1 - Willich, S. N. A1 - Garbe, E. A1 - Bergmann, M. M. A1 - Boeing, H. A1 - Weikert, C. T1 - Alcohol consumption, genetic variants in alcohol deydrogenases, and risk of cardiovascular diseases: A prospective study and meta-analysis N2 - Objective: First, to investigate and compare associations between alcohol consumption and variants in alcohol dehydrogenase (ADH) genes with incidence of cardiovascular diseases (CVD) in a large German cohort. Second, to quantitatively summarize available evidence of prospective studies on polymorphisms in ADH1B and ADH1C and CVD-risk. Methods: We conducted a case-cohort study nested within the European Prospective Investigation into Cancer and Nutrition (EPIC)-Potsdam cohort including a randomly drawn subcohort (n = 2175) and incident cases of myocardial infarction (MI; n = 230) or stroke (n = 208). Mean follow-up time was 8.2±2.2 years. The association between alcohol consumption, ADH1B or ADH1C genotypes, and CVD-risk was assessed using Cox proportional hazards regression. Additionally, we report results on associations of variants in ADH1B and ADH1C with ischemic heart disease and stroke in the context of a meta-analysis of previously published prospective studies published up to November 2011. Results: Compared to individuals who drank >0 to 6 g alcohol/d, we observed a reduced risk of MI among females consuming >12 g alcohol/d (HR = 0.31; 95% CI: 0.10–0.97) and among males consuming >24 to 60 g/d (HR = 0.57; 95% CI: 0.33–0.98) or >60 g alcohol/d (HR = 0.30; 95% CI: 0.12–0.78). Stroke risk was not significantly related to alcohol consumption >6 g/d, but we observed an increased risk of stroke in men reporting no alcohol consumption. Individuals with the slowcoding ADH1B*1/1 genotype reported higher median alcohol consumption. Yet, polymorphisms in ADH1B or ADH1C were not significantly associated with risk of CVD in our data and after pooling results of eligible prospective studies [ADH1B*1/1: RR = 1.35 (95% CI: 0.98–1.88; p for heterogeneity: 0.364); ADH1C*2/2: RR = 1.07 (95% CI: 0.90–1.27; p for heterogeneity: 0.098)]. Conclusion: The well described association between alcohol consumption and CVD-risk is not reflected by ADH polymorphisms, which modify the rate of ethanol oxidation. KW - Coronary heart disease KW - Myocardial infarction KW - Dehydrogenase KW - Genotypes KW - Relative validity KW - Drinking habits KW - EPIC-Potsdam Study KW - German part KW - Case cohort KW - Stroke KW - Reproducibility PY - 2012 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-633710 DO - https://doi.org/10.1371/journal.pone.0032176 SN - 1932-6203 N1 - The recruitment phase of the EPIC-Potsdam Study was supported by the Federal Ministry of Science, Germany (01 EA 9401), and the European Union (SOC 95201408 05F02). The follow-up was supported by the German Cancer Aid (70-2488-Ha I) and the European Community (SOC 98200769 05F02). VL - 7 IS - 2 SP - 1 EP - 11 PB - Public Library of Science (PLoS) CY - San Francisco, California, US AN - OPUS4-63371 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wiegner, Katharina A1 - Hahn, Oliver A1 - Horn, Wolfgang A1 - Farke, M. A1 - Kalus, Sabine A1 - Nohr, Michael A1 - Jann, Oliver T1 - Determination of formic and acetic acid emissions in indoor air or from building products N2 - Several construction and building materials, including wood, glue and coatings, are possible sources of very volatile organic compounds (VVOCs) and volatile organic compounds (VOCs) like formic and acetic acid. Due to very high air tightness and very low air exchange rates in new buildings concentrations of these harmful substances can increase considerably. To minimize the risk, emissions from building products should be identified and quantified. With the common standard method, this means Tenax® sampling followed by thermal desorption and GC-MS analysis, these acids could not be detected sufficiently. The aim oft this study is the comparison of two different methods for the determination of acetic and formic acid. The sampling of method one, which is usually used for identification and quantification of VOCs, is done in accordance with ISO 16000-6 and ISO 16017-1 on Carbotrap® 202 multi-bed thermal desorption tube by subsequent identification and quantification with GC-MS. Method two is based on sampling on 2,4-dinitrophenylhydrazine (DNPH) cartridges, derivatisation, elution, identification and quantification of the derivatives with LC-MS/MS (liquid chromatography – mass spectrometry/mass spectrometry). N2 - Viele Konstruktions- und Baumaterialien, wie Holz, Kleber und Anstriche, sind mögliche Quellen für leicht flüchtige organische Verbindungen (VVOC) und flüchtige organische Verbindungen (VOC), wie Ameisen- und Essigsäure. Bedingt durch die hohe Dichtigkeit und den damit verbundenen niedrigen Luftwechsel in neuen Gebäuden können die Konzentrationen dieser gesundheitsgefährdenden Substanzen beträchtlich ansteigen. Um das Risiko zu minimieren, sollen Emissionen aus Bauprodukten identifiziert und quantifiziert werden. Mit der üblichen Standardmethode, die auf einer Luftprobenahme auf Tenax® und anschließender Analyse mittels GC-MS basiert, können diese Säuren nicht ausreichend detektiert werden. Ziel dieser Arbeit ist der Vergleich von zwei unterschiedlichen Methoden zur Bestimmung von Essig- und Ameisensäure. Die Luftprobenahme der ersten Methode, die üblicherweise zur Identifizierung und Quantifizierung von VOC genutzt wird, wurde gemäß ISO 16000-6 and ISO 16017-1 auf Carbotrap® 202, ein mit mehreren Adsorbentien gepacktes Thermodesorptionsrohr, mit anschließender Identifikation und Quantifizierung mittels GC-MS durchgeführt. Die zweite Methode basiert auf einer Luftprobenahme mittels 2,4-Dinitrophenylhydrazin-(DNPH)-Kartuschen, Derivatisierung, Elution, Identifikation und Quantifizierung der Derivate mit LC-MS/MS (Flüssigkeitschromatographie – Massenspektometrie/Massenspektometrie). KW - Formic acid KW - Acetic acid KW - VVOCs KW - Air sampling KW - DNPH PY - 2012 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-255911 UR - http://www.gefahrstoffe.de/gest/article.php?data[article_id]=65887 SN - 0949-8036 SN - 0039-0771 SN - 1436-4891 VL - 72 IS - 3 SP - 84 EP - 88 PB - Springer-VDI-Verlag CY - Düsseldorf AN - OPUS4-25591 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Merkel, Stefan A1 - Köppen, Robert A1 - Koch, Matthias A1 - Emmerling, Franziska A1 - Nehls, Irene T1 - Ergotaminine N2 - The title compound {systematic name: (6aR,9S)-N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide}, C33H35N5O5, was formed by an epimerization reaction of ergotamine. The non-aromatic ring (ring C of the ergoline skeleton) directly fused to the aromatic rings is nearly planar [maximum deviation = 0.317 (4) Å] and shows an envelope conformation, whereas ring D, involved in an intramolecular N–H···N hydrogen bond exhibits a slightly distorted chair conformation. The structure displays chains running approximately parallel to the diagonal of bc plane that are formed through N–H···O hydrogen bonds. PY - 2012 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-254528 DO - https://doi.org/10.1107/S1600536812003674 SN - 1600-5368 VL - 68 IS - 3 SP - o610-o611, sup1-sup11 PB - Munksgaard CY - Copenhagen AN - OPUS4-25452 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Merkel, Stefan A1 - Köppen, Robert A1 - Koch, Matthias A1 - Emmerling, Franziska A1 - Nehls, Irene T1 - Lysergol monohydrate N2 - In the title compound [systematic name: (7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3,2-fg]quinoline-9-yl)methanol monohydrate], C16H18N2O·H2O, the non-aromatic ring (ring C of the ergoline skeleton) directly fused to the aromatic rings is nearly planar, with a maximum deviation of 0.659 (3) Å, and shows an envelope conformation. In the crystal, hydrogen bonds between the lysergol and water molecules contribute to the formation of layers parallel to (10-2). PY - 2012 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-254015 DO - https://doi.org/10.1107/S1600536812002632 SN - 1600-5368 VL - 68 IS - 2 SP - o523, sup1 EP - sup8 PB - Munksgaard CY - Copenhagen AN - OPUS4-25401 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Weller, Michael G. T1 - A unifying review of bioassay-guided fractionation, effect-directed analysis and related techniques N2 - The success of modern methods in analytical chemistry sometimes obscures the problem that the ever increasing amount of analytical data does not necessarily give more insight of practical relevance. As alternative approaches, toxicity- and bioactivity-based assays can deliver valuable information about biological effects of complex materials in humans, other species or even ecosystems. However, the observed effects often cannot be clearly assigned to specific chemical compounds. In these cases, the establishment of an unambiguous cause-effect relationship is not possible. Effect-directed analysis tries to interconnect instrumental analytical techniques with a biological/biochemical entity, which identifies or isolates substances of biological relevance. Successful application has been demonstrated in many fields, either as proof-of-principle studies or even for complex samples. This review discusses the different approaches, advantages and limitations and finally shows some practical examples. The broad emergence of effect-directed analytical concepts might lead to a true paradigm shift in analytical chemistry, away from ever growing lists of chemical compounds. The connection of biological effects with the identification and quantification of molecular entities leads to relevant answers to many real life questions. KW - Toxicity KW - Drug discovery KW - Natural products KW - Environmental analysis KW - Lead identification PY - 2012 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-262960 DO - https://doi.org/10.3390/s120709181 SN - 1424-8220 VL - 12 IS - 7 SP - 9181 EP - 9209 PB - MDPI CY - Basel AN - OPUS4-26296 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jeromenok, J. A1 - Böhlmann, W. A1 - Jäger, Christian A1 - Weber, J. T1 - Carbon dioxide adsorption in Betulin-based micro- and macroporous polyurethanes N2 - Separation of CO2. Microporous polyurethane networks were prepared based on a renewable resource. Betulin, extracted from birch bark, is used as a structure-directing diol monomer in A3-B2 monomers. The resulting microporous networks show very promising CO2/N2 selectivities. The state of adsorbed CO2 is analyzed by in situ NMR spectroscopy, and pure physisorption is proven. The preparation of monolithic materials is demonstrated as well. KW - Carbon dioxide KW - Gas adsorption KW - Microporous polymers KW - Renewable resources KW - Solid state NMR spectroscopy PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-304431 DO - https://doi.org/10.1002/open.201200045 SN - 2191-1363 VL - 2 IS - 1 SP - 17 EP - 20 PB - Wiley-VCH-Verl. CY - Weinheim AN - OPUS4-30443 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Neumann, Patrick P. A1 - Asadi, S. A1 - Hernandez Bennetts, V. A1 - Lilienthal, A.J. A1 - Bartholmai, Matthias T1 - Monitoring of CCS areas using micro unmanned aerial vehicles (MUAVs) N2 - Carbon capture & storage (CCS) is one of the most promising technologies for greenhouse gas (GHG) management. However, an unsolved issue of CCS is the development of appropriate long-term monitoring systems for leak detection of the stored CO2. To complement already existing monitoring infrastructure for CO2 storage areas, and to increase the granularity of gas concentration measurements, a quickly deployable, mobile measurement device is needed. In this paper, we present an autonomous gas-sensitive micro-drone, which can be used to monitor GHG emissions, more specifically, CO2. Two different measurement strategies are proposed to address this task. First, the use of predefined sensing trajectories is evaluated for the task of gas distribution mapping using the micro-drone. Alternatively, we present an adaptive strategy, which suggests sampling points based on an artificial potential field (APF). The results of real-world experiments demonstrate the feasibility of using gas-sensitive micro-drones for GHG monitoring missions. Thus, we suggest a multi-layered surveillance system for CO2 storage areas. T2 - GHGT 11 - Greenhouse gas control technologies conference CY - Kyoto, Japan DA - 18.11.2012 KW - Gas-sensitive micro-drone KW - Gas distribution mapping KW - Sensor planning KW - Artificial potential field KW - CCS PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-289119 DO - https://doi.org/10.1016/j.egypro.2013.06.320 SN - 1876-6102 VL - 37 SP - 4182 EP - 4190 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-28911 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schütz, Roman A1 - Bertinetti, L. A1 - Rabin, Ira A1 - Fratzl, P. A1 - Masic, A. T1 - Quantifying degradation of collagen in ancient manuscripts: the case of the Dead Sea Temple Scroll N2 - Since their discovery in the late 1940s, the Dead Sea Scrolls, some 900 ancient Jewish texts, have never stopped attracting the attention of scholars and the broad public alike, because they were created towards the end of the Second Temple period and the 'time of Christ'. Most of the work on them has been dedicated to the information contained in the scrolls' text, leaving physical aspects of the writing materials unexamined. They are, however, crucial for both historical insight and preservation of the scrolls. Although scientific analysis requires handling, it is essential to establish the state of degradation of these valued documents. Polarized Raman Spectroscopy (PRS) is a powerful tool for obtaining information on both the composition and the level of disorder of molecular units. In this study, we developed a non-invasive and non-destructive methodology that allows a quantification of the disorder (that can be related to the degradation) of protein molecular units in collagen fibers. Not restricted to collagen, this method can be applied also to other protein-based fibrous materials such as ancient silk, wool or hair. We used PRS to quantify the degradation of the collagen fibers in a number of fragments of the Temple Scroll (11Q19a). We found that collagen fibers degrade heterogeneously, with the ones on the surface more degraded than those in the core. KW - Dead Sea Scrolls KW - Collagen KW - Raman spectroscopy PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-331769 DO - https://doi.org/10.1039/c3an00609c SN - 0003-2654 SN - 1364-5528 VL - 138 IS - 19 SP - 5594 EP - 5599 PB - Royal Society of Chemistry CY - Cambridge AN - OPUS4-33176 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Brosig, Laura A1 - Horn, Wolfgang A1 - Pyza, Lars A1 - Jann, Oliver A1 - Plehn, W. T1 - Round robin test for the implementation of odour measurements according to DIN ISO 16000-28 into the assessment of emissions from building products N2 - Odour measurements become increasingly important in view of the assessment of indoor air quality and the emissions of building products. Hence they need to be implemented into evaluation schemes such as the AgBB scheme. While there are already standards like DIN ISO 16000-28 and VDI 4302 Part 1 specifying the procedure of odour measurements using a comparison scale, no final validation of the method has been carried out so far. Therefore, a round robin test was conducted in 2012 with 12 participating laboratories that mainly consisted of the following two parts: 1) testing of the available comparison scales with respect to their operational performance and 2) execution of an odour assessment of an acrylic sealant using emission test chambers. Part one included the measurement of the air flow rates and the provided concentrations of the reference substance (acetone). Part two was conducted to test the performance of the laboratories and the applicability of DIN ISO 16000-28 and supplementary VDI 4302 Part 1 by assessing the perceived intensity and the hedonic tone of the air samples. Moreover, samples for VOC analysis were taken from the air in the emission test chamber on the 7th day of testing to allow for quality control. Resulting from this round robin test main deficits were detected and suggestions for the improvement of the odour measurement procedure were made. N2 - Im Rahmen der Bewertung von Innenraumluftqualität und von Emissionen aus Bauprodukten gewinnt auch die Beurteilung entstehender Gerüche zunehmend an Bedeutung. Um der daraus resultierenden Forderung nach Geruchsbewertungen gerecht zu werden, müssen entsprechende Methoden in bestehende Bewertungssysteme, wie z. B. das AgBB-Schema, aufgenommen werden. Als Grundlage hierfür bieten sich die bereits bestehenden Regelwerke DIN ISO 16000-28 und VDI 4302 Blatt 1 an, die das Vorgehen bei Geruchsmessungen unter Verwendung eines Vergleichsmaßstabes vorgeben. Da für die beschriebene Methode bisher keine Validierung vorliegt, wurde 2012 ein Ringversuch mit zwölf Instituten durchgeführt, der sich hauptsächlich aus zwei Teilen zusammensetzte: 1) Überprüfung der technischen Funktionsfähigkeit der verwendeten Vergleichsmaßstäbe und 2) Durchführung einer Geruchsbewertung für eine Acryldichtmasse mithilfe von Emissionsprüfkammern. Im ersten Teil wurden sowohl die Volumenströme als auch die bereitgestellten Konzentrationen der Referenzsubstanz Aceton bestimmt. Der zweite Teil diente neben der Ermittlung der Leistungsfähigkeit der Laboratorien vor allem der Feststellung, inwieweit eine Bestimmung der empfundenen Intensität und der Hedonik nach DIN ISO 16000-28, ergänzt durch VDI 4302 Blatt 1, einheitlich möglich ist. Aus Gründen der Vergleichbarkeit und der Qualitätskontrolle wurden am siebten Tag der Messungen zusätzlich Proben der Prüfkammerluft zur VOC-Bestimmung genommen. Mithilfe des Ringversuchs konnten Defizite sowohl technischer als auch methodischer Art festgestellt und Vorschläge für die Verbesserung des Vorgehens bei Geruchsbewertungen erarbeitet werden. PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-293110 UR - http://www.gefahrstoffe.de/gest/article.php?data[article_id]=75118 SN - 0949-8036 SN - 0039-0771 SN - 1436-4891 VL - 73 IS - 10 SP - 441 EP - 445 PB - Springer-VDI-Verlag CY - Düsseldorf AN - OPUS4-29311 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Würth, Christian A1 - Grabolle, Markus A1 - Pauli, Jutta A1 - Spieles, Monika A1 - Resch-Genger, Ute T1 - Relative and absolute determination of fluorescence quantum yields of transparent samples N2 - Luminescence techniques are among the most widely used detection methods in the life and material sciences. At the core of these methods is an ever-increasing variety of fluorescent reporters (i.e., simple dyes, fluorescent labels, probes, sensors and switches) from different fluorophore classes ranging from small organic dyes and metal ion complexes, quantum dots and upconversion nanocrystals to differently sized fluorophore-doped or fluorophore-labeled polymeric particles. A key parameter for fluorophore comparison is the fluorescence quantum yield (Φf), which is the direct measure for the efficiency of the conversion of absorbed light into emitted light. In this protocol, we describe procedures for relative and absolute determinations of Φf values of fluorophores in transparent solution using optical methods, and we address typical sources of uncertainty and fluorophore class-specific challenges. For relative determinations of Φf, the sample is analyzed using a conventional fluorescence spectrometer. For absolute determinations of Φf, a calibrated stand-alone integrating sphere setup is used. To reduce standard-related uncertainties for relative measurements, we introduce a series of eight candidate quantum yield standards for the wavelength region of ~350–950 nm, which we have assessed with commercial and custom-designed instrumentation. With these protocols and standards, uncertainties of 5–10% can be achieved within 2 h. PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-294202 DO - https://doi.org/10.1038/nprot.2013.087 SN - 1754-2189 SN - 1750-2799 VL - 8 IS - 8 SP - 1535 EP - 1550 PB - Nature Publishing Group CY - Basingstoke AN - OPUS4-29420 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lopez-Heredia, M.A. A1 - Gildenhaar, Renate A1 - Berger, Georg A1 - Linow, Ulf A1 - Wirth, Cynthia A1 - Günster, Jens A1 - Houshmand, A. A1 - Stiller, M. A1 - Knabe-Ducheyne, C. T1 - Effect of stressed and unstressed cell culture environments on the viability of MC3T3 cells with calcium phosphates T2 - ISACB-6 - International symposium on apatite and correlative biomaterials CY - Nantes, France DA - 2013-06-05 KW - Cell culture media KW - Fetal bovine serum KW - Stressed KW - Unstressed KW - Calcium alkaline orthophosphates PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-299387 DO - https://doi.org/10.4172/2090-5025.S1-002 SN - 2090-5017 SN - 2090-5025 N1 - Geburtsname von Wirth, Cynthia: Gomes, C. M. - Birth name of Wirth, Cynthia: Gomes, C. M. SP - 1 EP - 3(?) PB - Ashdin AN - OPUS4-29938 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pech, Anja A1 - Wilke, Olaf A1 - Mull, Birte A1 - Horn, Wolfgang A1 - Jann, Oliver T1 - Development of a TDS-GC-FID method for the determination of methanol and ethanol in air N2 - A method for the determination of very volatile organic compounds (VVOC) in air was developed and successfully tested for methanol and ethanol. Carbotrap300® (a multi-bed tube using Carbopack C®, Carbopack B® and Carbosive SIII®) was selected as sorption material for thermal desorption and tested for its suitability for emission test chamber measurements. The adsorption behaviour and the chromatographic results are influenced negatively by spiking aqueous solutions on the adsorption medium for calibration purposes. The latter effect can be reduced by blowing dry air across the adsorbent to remove the adsorbed water. Detection and quantification limits were determined for a GC-FID system and compared to GC-MS. The applicability of the method was tested with a methanol eliminating silane modified polymeric adhesive (SMP-adhesive for parquet) in an emission test chamber N2 - Eine Methode zur Bestimmung von sehr leicht flüchtigen Verbindungen in Luft wurde für Methanol und Ethanol entwickelt und erfolgreich getestet. Dafür wurde Carbotrap300® (Multibettrohr aus Carbopack C®, Carbopack B® und Carbosive SIII®) als Sorptionsmedium für die Thermodesorption ausgewählt und dessen Eignung für Emissionskammermessungen untersucht. Das Adsorptionsverhalten und die chromatographischen Ergebnisse werden negativ durch die Aufgabe von wässrigen Kalibrierlösungen auf das Adsorptionsmedium beeinflusst. Durch das Überleiten von trockener Luft kann dieser Effekt verringert werden, da so das adsorbierte Wasser entfernt wird. Die Nachweis- und Bestimmungsgrenzen wurden für ein eingesetztes GC- FID-System ermittelt und mit einem GC-MS verglichen. Mit einem methanolabspaltenden silanmodifizierten Polymerklebstoff (SMP-Parkettkleber), der in eine Emissionskammer eingebracht wurde, konnte die Tauglichkeit der Methode überprüft werden. PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-297020 UR - http://www.gefahrstoffe.de/gest/article.php?data[article_id]=76019 SN - 0949-8036 SN - 0039-0771 SN - 1436-4891 VL - 73 IS - 11/12 SP - 477 EP - 482 PB - Springer-VDI-Verlag CY - Düsseldorf AN - OPUS4-29702 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -