TY - CONF A1 - Panne, Ulrich T1 - Analytical chemistry in materials research T2 - CCQM-Meeting CY - Paris, France DA - 2007-04-17 PY - 2007 AN - OPUS4-16461 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zientek, Nicolai A1 - Meyer, Klas A1 - Panne, Ulrich A1 - Kraume, M. A1 - Maiwald, Michael T1 - Untersuchung der Auflösungskinetik von pharmazeutischen Cokristallen mittels Onlilne-NMR-Spektroskopie N2 - Bei der Entwicklung pharmazeutischer Wirkstoffe werfen Substanzen mit einer geringen Löslichkeit, Auflösungsrate und damit einhergehend schlechten Bioverfügbarkeit immer größere Probleme auf. Diese Eigenschaften und nicht etwa toxikologische Eigenschaften oder schlechte Wirksamkeit sorgen dafür, dass es weniger als 1 % aller Wirkstoffe bis in die Markteinführung schaffen. Eine Reihe von Ansätzen zur Verbesserung der schlechten Wasserlöslichkeit konnten bereits etabliert werden. Hierunter zählen die gezielte Salzbildung bzw. Salzscreening, Solubilisierung mit Cosolventien oder die Nutzung von Polymeren als mögliche Transportwege. Eine weitere Möglichkeit bietet die Bildung verschiedener polymorpher Formen, sowohl der Einzelkomponente als auch von den verschiedenen Mehrkomponentenverbindungen. T2 - 7. Interdisziplinäres Doktorandenseminar CY - Berlin, Germany DA - 24.02.2013 KW - Quantitative Online-NMR-Spektroskopie KW - Pharmazeutische Cokristalle PY - 2013 SN - 978-3-9815360-9-6 SP - 9 EP - 11 PB - Bundesanstalt für Materialforschung und -prüfung (BAM) AN - OPUS4-28266 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Löhr, Konrad A1 - Traub, Heike A1 - Wanka, Antje Jutta A1 - Panne, Ulrich A1 - Jakubowski, Norbert T1 - Quantification of metals in single cells by LA-ICP-MS: Comparison of single spot analysis and imaging N2 - LA-ICP-MS is increasingly used for single cell analysis in two different detection modes using either the imaging mode with subcellular resolution or alternatively single spot analysis of cells with a larger laser spot size. This study compares the analytical figures of merit of both detection modes (signal to noise, precision, accuracy, throughput), as well as ease of operation and data evaluation. Adherent 3T3 fibroblast cells were stained with two metal dyes (mDOTA-Ho, Ir-DNA-intercalator) and several dozen cells were measured using both modes. We found a ten times higher throughput for single spot analysis, which has as well a straightforward data analysis, shortening the total analysis time further. The signal to noise ratio for single spot analysis was found to be slightly better compared to the signal to noise of pixels in imaging. The mean metal intensity per single cell differed by only 10% between both modes and obtained distributions were found to show no statistically significant differences. Using matrix matched calibration based on standards spotted onto nitrocellulose membrane, we achieved detection limits (10s) of 12 fg for Ir and 30 fg for Ho and quantified 57 +/-35 fg Ir and 1192 +/- 707 fg Ho per single cell. Compared to a conventional ICP-MS measurement of a digest of about 60000 cells, 54% of Ir content and 358% Ho content was found using quantitative LA-ICP-MS. The difference might be a consequence of the two metal dyes binding to different structures of the cell and therefore might behave differently in sample preparation for conventional and LA-ICP-MS. KW - Cells KW - Laser ablation KW - ICP-MS KW - Metals KW - Quantification PY - 2018 DO - https://doi.org/10.1039/c8ja00191j SN - 0267-9477 VL - 33 IS - 9 SP - 1579 EP - 1587 PB - RSC Royal Society of Chemistry CY - London AN - OPUS4-46441 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Chemometric tools for LIBS analysis N2 - LIBS matures to a quantitative method for elemental analysis rather than a qualitative diagnostic tool. Numerous real world applications for bulk and microanalysis profit from instrumental and methodical advances in the last decade. Today, recording of numerous spectra from samples can be done with low experimental efforts and low cost per spectrum. Not surprisingly, LIBS data, with a high spectral resolution and a broad spectral range, become “big data” and can be utilized in different ways beyond elemental analysis. But, what is the generic or best approach for quantitative LIBS analysis? What techniques can be employed to gain new insights into data? Emergent information can arise through data fusion of LIBS data with other data, i.e. orthogonal spectroscopic or other information related to the sample. But are fused data better than data from a single method? This talk will provide an in-depth overview what chemometric tools can do for LIBS. For quantitative analysis, pre-processing tools are essential to improve precision, accuracy, and reproducibility but at the same time their application to data is still based on phenomenological criteria. Multivariate analysis seems to dominate LIBS, but are there drawbacks on using all information from spectra. For different data sets from real applications, the use of multivariate calibration and (un)supervised pattern recognition will be discussed in comparison with reference analytical methods and possible improvements through plasma diagnostics and modelling. T2 - 9th International Confrence on Laser-Indusced Breakdown Spectroscopy (LIBS) CY - Charmonix-Mont-Blanc, France DA - 12.09.2016 KW - Chemometrics KW - Analytical method KW - LIBS PY - 2016 AN - OPUS4-37534 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Mit Sicherheit vorn - Analytische Chemie an der BAM T2 - DGCh-Kolloquium, Universität Hamburg CY - Hamburg, Germany DA - 2006-12-07 PY - 2006 AN - OPUS4-13117 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - The potential of laser-induced plasma spectroscopy (LIBS) for elemental process analysis T2 - 1st European Conference on Process Analytics and Control Technology CY - Frankfurt am Main, Germany DA - 2008-04-22 PY - 2008 AN - OPUS4-17761 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Mit Sicherheit vorn - Analytische Chemie an der BAM T2 - DGCh-Vortrag, Universität Hannover CY - Hanover, Germany DA - 2008-05-08 PY - 2008 AN - OPUS4-17762 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - CRM development at BAM - status and future trends T2 - BERM 10, Tenth International Symposium on Biological and Environmental Reference Materials CY - Charleston, SC, USA DA - 2006-04-30 PY - 2006 AN - OPUS4-12299 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Multichannel atomic emission spectroscopy - Does intrumentation matter? T2 - Fokusseminar "Faserspektroskopie und Sensorik" CY - Potsdam, Germany DA - 2007-08-31 PY - 2007 AN - OPUS4-15496 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Raman and FT-IR Spectroscopy for bioanalytical applications T2 - EUROANALYSIS 14 CY - Antwerp, Belgium DA - 2007-09-11 PY - 2007 AN - OPUS4-16462 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - LIBS as analytical method - Facts, figures, and illusions T2 - EMSLIBS 2007 CY - Paris, France DA - 2007-09-11 PY - 2007 AN - OPUS4-16460 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Analytical chemistry at BAM - Safety in chemistry and technology T2 - Seminarvortrag Warschau CY - Warsaw, Poland DA - 2007-05-20 PY - 2007 AN - OPUS4-16459 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Chemical analysis of bioaerosols T2 - LIBS 2006 CY - Montreal, Canada DA - 2006-09-04 PY - 2006 AN - OPUS4-16464 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Bioanalytics at BAM: Challenge and Chance T2 - ISAS-Tagung CY - Dortmund, Germany DA - 2006-12-12 PY - 2006 AN - OPUS4-16463 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Neuneck, G. A1 - Panne, Ulrich ED - Ullrich, J. ED - Bleyer, U. ED - Köster, S. ED - Lämmerzahl, C. ED - Meschede, D. ED - Schröter, L. T1 - Politikberatung mit Physik N2 - Obwohl die Wissenschaft selbst unpolitisch ist, beeinflusst sie sehr wohl den politischen Raum. Wissenschaftliche Politikberatung verbindet Forschung mit politischem Handeln und bewertet Themen wie Klimawandel, Kl oder Gesundheitskrisen. Die Beratung kann dabei sowohl von der Wissenschaft ausgehen als auch von der Politik beauftragt werden. KW - Politikberatung KW - Physik PY - 2025 SN - 978-3-9826935-0-7 SP - 329 EP - 332 PB - Teamdruck CY - Stuhr AN - OPUS4-63312 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Panne, Ulrich T1 - Book review: Silvio Vaz Jr.: Applications of analytical chemistry in industry N2 - The book emphasizes the practical applications of analytical chemistry to solve problems in major industrial sectors involving analytes such as pharmaceuticals and agrochemicals, metals in mining, polymers, typical analytes in biotechnology, and the oil and gas sector. Industrial analytical chemistry plays a critical role by providing the composition, concentration, and properties of materials. Applications include quality control, process monitoring, research and development, and environmental monitoring. By describing the analytical challenges from the perspective of the specifics of each industrial sector, Silvio Vaz Jr. takes a new and fresh approach to applied analytical chemistry. KW - Analytical instrumentation KW - Analytical technology KW - Chemical technology KW - Chemometrics KW - Analytical chemistry KW - Industrial chemistry PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626802 DO - https://doi.org/10.1007/s00216-024-05666-2 SN - 1618-2642 SN - 1618-2650 VL - 417 SP - 229 EP - 230 PB - Springer CY - Berlin AN - OPUS4-62680 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kern, Simon A1 - Michalik-Onichimowska, Aleksandra A1 - Riedel, Jens A1 - Panne, Ulrich A1 - King, R. A1 - Maiwald, Michael ED - Herwig, Christoph T1 - “Click” analytics for “click” chemistry – a simple method for calibration-free evaluation of online NMR spectra N2 - Currently, research in chemical manufacturing moves towards flexible plug-and-play approaches focusing on modular plants, capable of producing small scales on-demand with short down-times between individual campaigns. This approach allows for efficient use of hardware, a faster optimization of the process conditions, and thus, an accelerated introduction of new products to the market. Driven mostly by the search for chemical syntheses under biocompatible conditions, so-called “click” chemistry rapidly became a growing field of research. The resulting simple one-pot reactions are so far only scarcely accompanied by an adequate optimization via comparably straightforward and robust analysis techniques. Here we report on a fast and reliable calibration-free online high field NMR monitoring approach for technical mixtures. It combines a versatile fluidic system, continuous-flow measurement with a time interval of 20 s per spectrum, and a robust, automated algorithm to interpret the obtained data. All spectra were acquired using a 500 MHz NMR spectrometer (Varian) with a dual band flow probe having a 1/16-inch polymer tubing working as a flow cell. Single scan 1H NMR spectra were recorded with an acquisition time of 5 s, relaxation delay of 15 s. As a proof-of-concept, the thiol-ene coupling between N-boc cysteine methyl ester and allyl alcohol was conducted in non-deuterated solvents while its time-resolved behaviour was characterised with step tracer experiments. Through the application of spectral modeling the signal area for each reactant can be deconvoluted in the online spectra and thus converted to the respective concentrations or molar ratios. The signals which were suitable for direct integration were used herein for comparison purposes of both methods. T2 - 11. Interdisziplinäres Doktorandenseminar CY - Berlin, Germany DA - 12.03.2017 KW - Process Monitoring KW - Online NMR Spectroscopy KW - Indirect Hard Modeling KW - Process Control KW - Process Analytical Technology KW - CONSENS KW - Click Chemistry PY - 2017 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-435531 SP - 33 EP - 35 PB - Gesellschaft Deutscher Chemiker (GDCh) CY - Frankfurt a. M. AN - OPUS4-43553 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Laser-induced Plasma Spectroscopy (LIPS) in the VUV - Possibilities and Limitations T2 - 3rd International Conference on Laser Induced Plasma Spectroscopy and Applications (LIBS 2004) CY - Torremolinos, Spain DA - 2004-09-28 PY - 2004 AN - OPUS4-3882 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Spektrochemische Methoden für die Prozessanalytik T2 - Kolloquium, BASF CY - Ludwigshafen am Rhein, Germany DA - 2005-04-20 PY - 2005 AN - OPUS4-7173 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Improvement of Asymmetrical FlowField-flow Fractionation - Using Slot-outlet Technique T2 - First Munich Conference on Field Flow Fractionation in Pharmaceutical Biotechnology CY - Munich, Germany DA - 2005-10-06 PY - 2005 AN - OPUS4-10917 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Physikalische Analysemessmethoden, Methodenkopplung, prozessnahe Analytik - Kompetenzzentrum Analytik Adlershof T2 - Roadmap-Meeting, Max-Born-Institut Berlin CY - Berlin, Germany DA - 2005-06-28 PY - 2005 AN - OPUS4-7630 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Adlershof - die Stadt für Wissenschaft, Wirtschaft und Medien T2 - Tagung des Verbandes der Chemischen Industrie, AK "Forschung und Innovation", WISTA Adlershof CY - Berlin, Germany DA - 2005-09-20 PY - 2005 AN - OPUS4-10858 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Analytische Chemie - nur eine Querschnittswissenschaft? T2 - Abteilungsseminar CY - Berlin, Germany DA - 2005-08-17 PY - 2005 AN - OPUS4-10336 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich T1 - Chemical Analysis of Bioaerosols - Possibilities and Limitations T2 - Workshop CY - Aachen, Germany DA - 2005-09-06 PY - 2005 AN - OPUS4-10337 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Recknagel, Sebastian A1 - Kipphardt, Heinrich A1 - Panne, Ulrich T1 - Certified reference materials: CRM - ERM - EURONORM T2 - Reference Materials and Interlaboratory Comparisons II CY - Medlov, Czech Republic DA - 2005-11-07 KW - CRM KW - ERM KW - ECRM PY - 2005 SN - 80-86380-30-0 SP - 7 EP - 12 PB - Cesky metrologicky institut CY - Medlov AN - OPUS4-11253 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -