TY - CONF A1 - Maiwald, Michael T1 - Towards "Process Sensors 4.0" - How to turn the vision to a mission? T2 - EPoSS Annual Forum 2015 CY - Leuven, Belgium DA - 2015-10-11 PY - 2015 AN - OPUS4-35059 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Colson, K. A1 - Schönberger, T. T1 - The q in NMR – a review of recent international activities N2 - Quantitative NMR Spectroscopy (qNMR) provides the most universally applicable form of direct purity determination without need for reference materials of impurities or the calculation of response factors for all samples exhibiting suitable NMR properties. Broadly accepted validation methods of qNMR spectroscopy gives users tools to exploit qNMR more easily and enables rapid analytical method development and reduce time and financial burdens. The first initiative towards a worldwide agreement goes back to a panel discussion at PANIC 2014 (Practical Applications of NMR in Industry Conference) in Chicago. Since that time, the Validation Workshop takes place each year following the PANIC Conference, last in 2017 with a turnout of over 65 people. The group aims to identifying a network of NMR people concerned with validation that can ultimately assist each other through the validation process, harmonize the terminology and a standard approach for NMR validations and position the guidelines produced by consensus of the NMR community so that accreditation agencies can use this process. The talk briefly summarises the outcome of the former PANIC Validation Workshops (2015, 2016, and 2017) as well as the recent satellite meetings including the qNMR meeting held at Spectral Service in Cologne, Germany (June 2016), a validation workshop at SMASH (La Jolla, USA, September 2016), the qNMR Summit with USP in Rockville, USA (October 2016), the qNMR Summit at BAM in Berlin, Germany (March 2017), and the qNMR Minisymposium at SMASH in Baveno, Italy (September 2017). Upcoming activities will be a qNMR Summit held by JP and JEOL in Tokyo, Japan (January 29th-30th, 2018) and a qNMR Summit at the University of Würzburg, Germany (planned for October 2018). The next PANIC takes place March 4th-8th, 2018 in La Jolla (San Diego), CA, USA. Further Information can be found under: http://www.validnmr.com T2 - qNMR Day CY - Politecnico di Bari, Bari, Italy DA - 24.11.2017 KW - qNMR KW - Quantitative NMR Spectroscopy KW - NMR validation KW - qNMR Summit KW - Direct purity determination PY - 2017 UR - http://www.gidrm.org/index.php/activities/workshops/2017-workshops/qnmr-day-a-gidrm-organized-in-cooperation-with-girm AN - OPUS4-43118 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - The future of analytical sciences: Trends and challenges N2 - What is the future of Analytical Sciences? The talk starts with a definition, comparing the current view with that from 1968. How do wie set trends? How do we get Analytics inside? Some examples of "Big Science" are given and discussed in relation to a definition of AS. How does AS face the current Grand Challenges? As exaples for something significant, several exaples are presented, such as Climate Change of Hydrogen Storage. Another important trand are eScience and automation concepts for AS, which are highlighted. But (Analytical) Science has to be politcal in our times to face Fake News and to breake barriers! T2 - Sonderkolloquium Abteilung 1 "Analytische Chemie; Referenzmaterialien" CY - Berlin, Germany DA - 05.10.2018 KW - Analytical science KW - Grand challenges KW - Big science KW - Fake news KW - Climate change PY - 2018 AN - OPUS4-47285 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Technologie-Roadmap, "Prozess-Sensoren 2015+", Vision oder Mission? T2 - MSR-Anwendertreffen Leipziger Messe CY - Leipzig, Germany DA - 2011-01-26 PY - 2011 AN - OPUS4-23091 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Gräßer, Patrick A1 - Wander, Lukas A1 - Guhl, Svetlana A1 - Meyer, Klas A1 - Kern, Simon T1 - Sustainable and Flexible Production of High Quality Chemicals and Pharmaceuticals Using Smart Sensors and Modular Production Units N2 - The departure from the current automation landscape to next generation automation concepts for the process industry has already begun. Smart functions of sensors simplify their use and enable plug-and-play integration, even though they may appear to be more complex at first sight. Monitoring specific information (i.e., “chemical” such as physico-chemical properties, chemical reactions, etc.) is the key to “chemical” process control. The talk introduces a smart online NMR sensor module provided in an explosion proof housing as example. This sensor was developed for an intensified industrial process (pharmaceutical lithiation reaction step) funded by the EU’s Horizon 2020 research and innovation programme (www.consens-spire.eu). Due to NMR spectroscopy as an “absolute analytical comparison method”, independent of the matrix, it runs with extremely short set-up times in combination with “modular” spectral models. Such models can simply be built upon pure component NMR spectra within a few hours (i.e., assignment of the NMR signals to the components) instead of tedious calibrations runs. The talk also generally covers current aspects of high-field and low-field online NMR spectroscopy for reaction monitoring and process control and gives also an overview on direct dissolution studies of API cocrystals. T2 - Chemistry Group Seminar Pfizer Inc. CY - La Jolla, California, USA DA - 09.03.2018 KW - Process Monitoring KW - Online NMR Spectroscopy KW - Smart Sensors KW - Indirect Hard Modeling KW - Modular Production KW - CONSENS PY - 2018 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-444382 AN - OPUS4-44438 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Gräßer, Patrick A1 - Wander, Lukas A1 - Zientek, Nicolai A1 - Guhl, Svetlana A1 - Meyer, Klas A1 - Kern, Simon T1 - Strangers in the Night – Smart Process Sensors in Our Current Automation Landscape N2 - The departure from the current automation landscape to next generation automation concepts for the process industry has already begun. Smart functions of sensors will simplify their use and enable plug-and-play integration, even though they may appear to be more complex at first sight. This is particularly important for concepts like self-diagnostics, self-calibration and self-configuration/parameterization. Intelligent field devices as parts of digital field networks, Inter-net Protocol (IP)-based connectivity and web interfaces, as well as advanced data analysis soft-ware will provide the basis for future projects like Industrie 4.0, Factory of the Future, or Industrial Internet of Things (IIoT). The talk summarizes the currently discussed general requirements for process sensors 4.0 and introduces an online NMR sensor as example. This sensor was developed to provide integrated control and sensing for sustainable operation of flexible intensified processes (CONSENS) funded by the European Union’s Horizon 2020 research and innovation programme. T2 - Eurosensors 2017 Conference CY - Paris, France DA - 03.09.2017 KW - Process Monitoring KW - Smart Sensors KW - Online NMR Spectroscopy KW - Indirect Hard Modeling KW - Industrie 4.0 KW - Eurosensors PY - 2017 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-418271 UR - http://www.eurosensors2017.eu/ AN - OPUS4-41827 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Smarte Feldgeräte – Nur "Smartisiert" oder Echte Chance für die Zukünftige Automatisierung? N2 - Um in einem veränderten Umfeld erfolgreich bestehen zu können, müssen Chemieunternehmen neue Pfade beschreiten. Dazu gehört insbesondere das Potential digitaler Technologien. Die volle Integration und intelligente Vernetzung von Systemen und Prozessen kommt zögerlich voran. Dieser Vortrag ist ein Loblied auf die Feldebene. Er möchte dazu ermutigen, die Digitalisierung der Prozessindustrie auf Basis smarter Sensorik, Aktorik und Kommunikation ganzheitlicher zu denken und informiert über aktuelle technische Perspektiven, wie das „Ein-Netzwerk-Paradigma“, Ad-hoc-Vernetzungen, Edge-Computing, FPGAs, virtuelle Maschinen oder Blockchain. Diese geben smarter Sensorik, Aktorik und Kommunikation eine völlig neue Perspektive. N2 - To successfully survive in a changing environment, chemical companies must find new paths. The potential of digital technologies belongs to these. A full integration and intelligent interconnection of systems and processes progresses only hesitantly. This talk is a hymn on the field level. It should encourage to think digitization of process industry based on smart sensors, actuators, and communication more comprehensively and informs about current technical perspectives such as the “one-network paradigm”, ad-hoc connections, edge computing, FPGAs, virtual machines and blockchain. These give smart sensors, actuators, and communication a new perspective. T2 - Smart Field Devices – Just „smartified“ or a Real Chance for Future Automation? T2 - NAMUR Hauptsitzung 2018 CY - Bad Neuenahr, Germany DA - 08.11.2018 KW - Smarte Feldgeräte KW - Sensorik KW - Digitalisierung KW - Edge Computing KW - Dezentrale Netzwerke KW - NAMUR PY - 2018 AN - OPUS4-46559 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Schmid, Thomas A1 - Rühlmann, Madlen A1 - Büchele, Dominique A1 - Ostermann, Markus T1 - Smart sensors and smart reference materials – an approach to the industrial internet of things N2 - The BAM targets within Bonares I4S are adaption of two online sensors being optimised for mobile applications: A LIBS spectrometer (Laser Induced Breakdown Spectroscopy) as well an a XRF spectrometer (X-Ray Fluorescence Spectroscopy). Beyond , the certification of soil reference materials is scope of I4S at BAM. Therefore, a managable relational database structure is needed, based on a modular Architecture, which is dedicated to spectroscopy. The requirements to such a database are discussed. T2 - International Expert Workshop on Data Standards CY - Bundesanstalt für Geowissenschaften und Rohstoffe (BGR), Berlin, Germany DA - 12.10.2016 KW - Bonares KW - Process Analytical Technology KW - Database KW - Laboratory Information Management System KW - Intelligence for Soil PY - 2016 AN - OPUS4-37907 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Sicherheit und Prozesskontrolle in der Wasserstoff-Wirtschaft: Anforderungen an Sensoren und Prozessanalytik N2 - Der Vortrag ist ein Impulsvortrag, der kurz in die Prozessketten der potentiellen Wasserstoffwirtschaft einführt. An vielen Stellen werden spezifische Sensoren benötigt, die die Prozess-Sicherheit und die Zuverlässigkeit von Qualitätsparametern gewährleisten. Es wird auch kurz auf die Forschungsföerderungslandschaft zu diesem Thema eingegangen. T2 - Sensorik für die Digitalisierung Chemische Produktionsanlagen – Wir bringen neue Projektideen auf dem Weg! CY - Frankfurt am Main, Germany DA - 13.06.2022 KW - Sensoren KW - Wasserstoff-Wirtschaft KW - Forschungslandschaft Wasserstoff KW - ProcessNet KW - Digitale Transformation PY - 2022 AN - OPUS4-55110 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Kipphardt, Heinrich A1 - Tuma, Dirk A1 - Khanipour, Peyman T1 - Sensors, Analytics and Certified Reference Materials safeguarding the quality infrastructure in the hydrogen economy N2 - The prerequisites for a successful energy transition and the economic use of hydrogen as a clean green energy carrier and for H2 readiness are a rapid market ramp-up and the establishment of the required value chains. Reliable quality and safety standards for innovative technologies are the prerequisite for ensuring supply security, for environmental compatibility and sustainable climate protection, for building trust in these technologies and thus enable product and process innovations. With the Competence Centre "H2Safety@BAM", BAM is creating the safety-related prere-quisites for the successful implementation of hydrogen technologies at national as well as European level. BAM uses decades of experience in dealing with hydrogen technologies to develop the necessary quality and safety standards. The presentation will draw a bow from the typical basic tasks of BAM in the field of competence "Sensors, analytics and certified reference materials", such as maintenance and dissemination of the national gas composition standards for calorific value determination as Designated Institute for Metrology in Chemistry within the framework of the Metre Convention, to the further development of measurement and sensor technology for these tasks. For the certification of reference materials, a mostly slow and time-consuming but solid reference analysis is common. With hydrogen and its special properties, completely new requirements are added. In addition, fast and simple online analysis is required for process control, for example to register quality changes, e.g., during load changes or refuelling processes. T2 - Indo-German International Conference on Metrology for the Deployment of Green Hydrogen and Renewable Fuels in India CY - Online meeting DA - 04.04.2022 KW - Quality Infrastructure KW - Gas Reference Material KW - Hydrogen KW - Energy Gases KW - Sensors KW - Hydrogen Storage Materials PY - 2022 UR - https://www.imeko-gh2fuels.ptb.de/ AN - OPUS4-54596 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tiebe, Carlo A1 - Mieller, Björn A1 - Maiwald, Michael A1 - Kipphardt, Heinrich A1 - Tuma, Dirk A1 - Prager, Jens A1 - Schukar, Marcus A1 - Strohhäcker, J. T1 - Sensoren und Analytik für Sicherheit und Prozesskontrolle in Wasserstofftechnologien N2 - Die Nutzung von Sensortechnologien, insbesondere im Bereich der Gasdetektion mit einem Schwerpunkt auf Wasserstoff, spielt eine entscheidende Rolle in verschiedenen Anwendungsbereichen der Wasserstofftechnologie. Sicherheitsüberwachung, Leckdetektion und Prozesskontrolle gehören zu den prominenten Anwendungsgebieten dieser Sensortechnologien. Ein zentrales Ziel ist die Erkennung von freigesetztem Wasserstoff sowie die genaue Bestimmung des Wasserstoff-Luftverhältnisses mithilfe von Gassensoren. Dies ist von entscheidender Bedeutung, um potenzielle Gefahren frühzeitig zu erkennen und angemessene Maßnahmen zu ergreifen. Ein weiterer Schwerpunkt dieses Beitrags liegt auf der Analytik und der Verwendung zertifizierter Referenzmaterialien in Verbindung mit Metrologie für die Wasserstoffspeicherung. Dies gewährleistet eine präzise und zuverlässige Charakterisierung von Wasserstoff und unterstützt die Entwicklung sicherer Speichertechnologien. Im Rahmen des Euramet-Vorhabens Metrology for Advanced Hydrogen Storage Solutions (MefHySto) wird eine Kurzvorstellung präsentiert. Der Vortrag stellt zwei zerstörungsfreie Prüfverfahren zum strukturellen Zustandsüberwachung (Structural Health Monitoring, SHM) für Wasserstofftechnologien vor. Insbesondere die Fehlstellenerkennung mittels geführter Ultraschallwellen spielt eine bedeutende Rolle bei der Lebensdauerüberwachung von Wasserstoffspeichern. Ein weiterer Aspekt ist die Anwendung faseroptischer Sensorik zur Schadensfrüherkennung von Wasserstoffspeichern. Diese zerstörungsfreien Prüfverfahren ermöglichen eine präzise und frühzeitige Identifizierung von Schäden, was die Sicherheit und Effizienz von Wasserstoffspeichersystemen entscheidend verbessert. T2 - DVGW Kongress H2 Sicherheit CY - Online meeting DA - 15.11.2023 KW - H2Safety@BAM KW - Gassensorik KW - Metrologie KW - zertifizierte Referenzmaterialien KW - Zerstörungsfreie Prüfung KW - Ultraschall KW - Faseroptik PY - 2023 AN - OPUS4-59230 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Gräßer, Patrick A1 - Wander, Lukas A1 - Guhl, Svetlana A1 - Meyer, Klas A1 - Kern, Simon T1 - Sensor Roadmap 4.0 – Prospects towards a uniform topology for process control and smart sensor networks N2 - Smart functions of sensors simplify their use and enable plug-and-play, even though they are more complex. This is particularly important for, self-diagnostics, self-calibration and self-configuration/parameterization. Intelligent field devices, digital field networks, Internet Protocol (IP)-enabled connectivity and web services, historians, and advanced data analysis software are providing the basis for the future project “Industrie 4.0” and Industrial Internet of Things (IIoT). Important smart features include connectivity and communication ability according to a unified protocol (OPC-UA currently most widely discussed), maintenance and operating functions, traceability and compliance, virtual description to support a continuous engineering, and well as interaction capabilities between sensors. This is a prerequisite for the realization of Cyber Physical Systems (CPS) within these future automation concepts for the process industry. Therefore, smart process sensors enable new business models for users, device manufacturers, and service providers. The departure from current automation to smart sensor has already begun. Further development is based on the actual situation over several steps. Possible perspectives will be via additional communication channels to mobile devices, bidirectional communication, integration of the cloud and virtualization. The integration of virtual runtime environments can provide a more flexible topology for process control environments. The talk summarizes the currently discussed requirements to process sensors 4.0 and introduces an online NMR sensor as an example, which was developed in the EU project CONSENS. T2 - Swiss Chemical Society Fall Meeting, Symposium on PAT & Industry 4.0 CY - Bern, Switzerland DA - 21.08.2017 KW - Process Monitoring KW - Smart Sensors KW - Reaction Monitoring KW - Indirect Hard Modeling KW - Online NMR Spectroscopy KW - Industrie 4.0 PY - 2017 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-414683 AN - OPUS4-41468 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Heine, Hans-Joachim A1 - Hedrich, Martina A1 - Panne, Ulrich T1 - Referenzgase für die Analytik - zwischen Referenzmaterial und Klimawandel T2 - ANAKON 2009 CY - Berlin, Germany DA - 2009-03-17 PY - 2009 AN - OPUS4-20679 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Reaktions- und Prozeßmonitoring mit Online-NMR-Spektroskopie T2 - Wissenschaftl. Kolloquium Leibnitz-Institut für Katalyse e.V. Universität Rostock CY - Berlin, Germany DA - 2008-11-06 PY - 2008 AN - OPUS4-18503 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Reaktions- und Prozessmonitoring mit Online-NMR-Spektroskopie T2 - Fachgespräch Molekülspektroskopie, Wacker Chemie AG CY - Burghausen, Germany DA - 2009-03-23 PY - 2009 AN - OPUS4-19236 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Quantitative Online-NMR-Spektroskopie für die Prozessanalytik T2 - Tag der Chemie CY - Potsdam, Germany DA - 2009-06-04 PY - 2009 AN - OPUS4-19280 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Quantitative NMR Spectroscopy Uncertainty Analysis Workshop N2 - qNMR provides the most universally applicable form of direct concentration or purity determination without need for reference materials of impurities or the calculation of response factors but only exhibiting suitable NMR properties. The workshop presents basic terms of statistics and uncertainty analysis, which are the basis for qNMR spectroscopy and data analysis such as, e.g., standard deviations, linear regression, significance tests, etc. and gives typical examples of applications in qNMR spectroscopy. T2 - Practical Applications of NMR in Industry Conference ​(PANIC) Validation Workshop 2018 CY - La Jolla, California, USA DA - 08.03.2018 KW - qNMR KW - NMR Validation KW - Basic Statistics KW - Linear Regression PY - 2018 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-444395 AN - OPUS4-44439 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Meyer, Klas A1 - Kipphardt, Heinrich T1 - Quantitative NMR spectroscopy for Gas Analysis T2 - Gas 2013 Konferenz CY - Rotterdam, Netherlands DA - 2013-06-05 PY - 2013 AN - OPUS4-29305 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Meyer, Klas T1 - Quantitative NMR Spectroscopy (qNMR) as an Indispensable Instrumental Analytical Method and its Metrological Application N2 - Introduction NMR spectroscopy is one of the most important analytical methods in organic chemistry. While most analyses are carried out qualitatively with the aim of substance identification and structure elucidation, quantitative NMR spectroscopy (qNMR) is increasingly gaining importance in research and industry. qNMR provides the most universally applicable form of direct purity determination without need for reference materials of impurities or the calculation of response factors but only exhibiting suitable NMR properties. Methods One of the most attractive features of quantitative NMR spectroscopy is that the NMR peak areas can be used directly for concentration quantification without further calibration. Another advantage of NMR spectroscopy is that the method has a high linearity between absolute signal area and sample concentration, which makes it an absolute analytical comparison method that is independent of the matrix. This enables automated robust data evaluation strategies that can be used for online applications of qNMR spectroscopy. Jancke et al. proposed NMR spectroscopy as a relative primary analytical method because it can be fully described by mathematical equations from which a complete uncertainty budget can be derived, allowing it to be used at the highest metrological level. Weber et al. discussed in detail important aspects of the procedure that enable the realisation of low measurement uncertainties in qNMR measurements. Since certification of CRM requires expanded mea¬sure¬ment uncertainties of less than 0.5 % (relative), the work of Weber et al. demonstrated for the first time that qNMR can fulfil this criterion. Results To date, further comparative studies have been carried out in metrology and industry, demonstrating the performance of quantitative NMR spectroscopy and further reducing measurement uncertainties. The development of validation concepts and the commercial availability of suitable certified reference materials facilitate the application, especially in the usually highly regulated industrial environment. Users can thus accelerate the development of analytical methods. The talk will cover a wide range of topics from current metrological activities to new challenges for qNMR spectroscopy and also deals with aspects such as validation and accreditation. Innovative aspects • qNMR provides the most universally applicable form of direct purity determination • Expanded measurement uncertainties lower than 0.15 % (relative) possible • Benchtop NMR instruments increasingly used for qNMR spectroscopy T2 - ANAKON 2023 CY - Vienna, Austria DA - 11.04.2023 KW - Quantitative NMR Spectroscopy KW - qNMR KW - Process Analytical Technology KW - NMR Validation KW - NMR Accreditation KW - Purity KW - ANAKON PY - 2023 AN - OPUS4-57304 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Zientek, Nicolai A1 - Meyer, Klas A1 - Kern, Simon A1 - Paul, Andrea T1 - Quantitative and online NMR Spectroscopy at BAM N2 - Online NMR spectroscopy, Determination of impurities of fluids, NMR process Monitoring, purity assessment T2 - NMR-Kolloquium Buchs CY - Buchs, Switzerland DA - 29.05.2015 KW - qNMR KW - Quantitative NMR-Spektroskopie KW - Online NMR Spectroscopy KW - Reaction monitoring KW - Reference material KW - Metrology PY - 2015 AN - OPUS4-36143 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Zientek, Nicolai A1 - Meyer, Klas A1 - Paul, Andrea T1 - Quantitative - Online- NMR Spectroscopy: Three good arguments for a comprensive processes understanding T2 - 1. Symposium NMRPM " Quantiative NMR Methods for Reaction and Process Monitoring" CY - Kaiserslautern DA - 2015-01-15 PY - 2015 AN - OPUS4-33133 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - qNMR-Referenzmaterialien und "Indirect Hard Modeling" (IHM) als Integrationsmethode N2 - Resolving overlapping peaks of multiple components. Relative primary analytical method - Fundamental relationship of qNMR. T2 - 4. Sitzung der Next-NMR-Arbeitsgruppe CY - Karlsruhe, Germany DA - 08.12.2015 KW - qNMR KW - Quantitative NMR-Spektroskopie KW - Indirect Hard Modeling (IHM) KW - Referenzmaterialien PY - 2015 AN - OPUS4-36138 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - qNMR spectroscopy has grown up to an original discipline – a review of recent international activities N2 - Quantitative NMR Spectroscopy (qNMR) provides the most universally applicable form of direct purity determination without need for reference materials of impurities or the calculation of response factors but only exhibiting suitable NMR properties. Broadly accepted validation methods of qNMR spectroscopy will give users the tools to exploit qNMR more easily and enable them to speed up analytical method development and reduce the time and financial burden. The first initiative towards a worldwide agreement goes back to a panel discussion at PANIC 2014 (Practical Applications of NMR in Industry Conference) in Chicago. Since that, the Validation Workshop takes place following the PANIC Conference each year, last in 2017 with a turnout of over 50 people. The group aims at identifying a network of NMR people concerned with validation that can ultimately assist each other through the validation process, harmonize the terminology and a standard approach for NMR validations and position the guidelines produced by consensus of the NMR community so that accreditation agencies can use this process. T2 - qNMR Minisymposium CY - Baveno, Italy DA - 21.09.2017 KW - qNMR KW - Quantitative NMR Spectroscopy KW - Purity Analysis KW - SMASH KW - qNMR Summit PY - 2017 AN - OPUS4-42148 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - qNMR metrology and current "primary" reference material activities N2 - In general, most quantitative organic chemical measurements rely on the availability of highly purified compounds to act as calibration standards. The traceability and providence of these standards is an essential component of any measurement uncertainty budget and provides the final link of the result to the units of measurement, ideally the SI. The more recent increase in the use of qNMR for the direct assessment of chemical purity however can potentially improve the traceability and reduce the uncertainty of the measured chemical purity at a reduced cost and with less material. For example, the method has beneficially been used by National Metrology Institutes for comparisons including comparisons on CCQM (Consultative Committee for Amount of Substance: Metrology in Chemistry and Biology, www.bipm.org). First comparisons started 1998 with CCQM-P3 (Organics in solution) or CCQM-P35 (2002, EtOH in solution), were underpinned by a broad range of polarity and molecular size (CCQM–K55 series of purity studies including Valine, Aldrin, or Folic acid) and were continued with the recent pilot studies CCQM-P150 (2014, purity of Dimethyl sulfone) or CCQM-P150b (2017, purity of Pyributicarb). Traditional ‘indirect’ methods of purity analysis require that all impurities are identified and quantified, leading to a minimum of four individual analytical methods (organic impurities, water, solvents, inorganic residue). These multiple technique approaches measure an array of different chemical impurities normally present in purified organic chemical compounds. As many analytical methodologies have compound-specific response factors, the accuracy and traceability of the purity assessment is dependent on the availability of reference materials of the impurities being available. qNMR provides the most universally applicable form of direct purity determination without need for reference materials of impurities or the calculation of response factors but only exhibiting suitable NMR properties. The development of CRMs addressing qNMR specific measurement issues will give analysts compounds ideally suited for the analytical method and also provide full characterisation of qNMR related parameters to enable more realistic uncertainty budgets. These materials will give users the tools to exploit qNMR more easily and enable them to speed up analytical method development and reduce the time and financial burden of multiple analytical testing. Due to recent advances in technical developments of NMR instruments such as acquisition electronics and probe design, detection limits of components in liquid mixtures were improved into the lower ppm range (approx. 5–10 ppm amount of substance) qNMR studies increasingly attract broader interest. T2 - qNMR Day CY - Politecnico di Bari, Bari, Italy DA - 24.11.2017 KW - qNMR KW - Quantitative NMR spectroscopy KW - qNMR metrology KW - Primary reference material KW - Comparison study KW - Direct purity determination PY - 2017 UR - http://www.gidrm.org/index.php/activities/workshops/2017-workshops/qnmr-day-a-gidrm-organized-in-cooperation-with-girm AN - OPUS4-43119 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - qNMR metrology and "primary" references N2 - qNMR provides the most universally applicable form of direct purity determination without need for reference materials of impurities or the calculation of response factors but only exhibiting suitable NMR properties. The development of CRMs addressing qNMR specific measurement issues will give analysts compounds ideally suited for the analytical method and also provide full characterisation of qNMR related parameters to enable more realistic uncertainty budgets. These materials will give users the tools to exploit qNMR more easily and enable them to speed up analytical method development and reduce the time and financial burden of multiple analytical testing. T2 - First qNMR Foundation Meeting CY - Köln, Germany DA - 10.06.2016 KW - qNMR KW - Quantitative NMR-Spektroskopie KW - purity KW - Referenzmaterialien KW - Reference Material PY - 2016 AN - OPUS4-36450 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Meyer, Klas A1 - Zientek, Nicolai A1 - Paul, Andrea T1 - qNMR forever – reference material metrology at high pressures and high purities N2 - Due to recent advances in technical developments of NMR instruments such as acquisition electronics and probe design, detection limits of components in liquid mixtures were improved into the lower ppm range (approx. 5–10 ppm amount of substance). This showed that modern NMR equipment is also suitable for the observation of hydrocarbon samples in the expanded fluid phase or gas phase. Since Quantitative NMR spectroscopy (qNMR) is a direct ratio method of analysis without the need of calibration it was used to determine impurities in appropriate liquid and liquefied hydrocarbon isomers up to C6, which are used for preparation of primary gas standards, e.g., natural gas or exhaust gas standards. At the same time it is possible to yield structural information with a minimum of sample preparation. Thus, cross contaminations between different isomers of the observed hydrocarbons and their (NMR-active) impurities can be identified and quantified. In general, most quantitative organic chemical measurements rely on the availability of highly purified compounds to act as calibration standards. The traceability and providence of these standards is an essential component of any measurement uncertainty budget and provides the final link of the result to the units of measurement, ideally the SI. The more recent increase in the use of qNMR for the direct assessment of chemical purity however can potentially improve the traceability and reduce the uncertainty of the measured chemical purity at a reduced cost and with less material. For example the method has beneficially been used by National Measurement institutes for recent CCQM comparisons including the CCQM–K55 series of purity studies. Traditional ‘indirect’ methods of purity analysis require that all impurities are identified and quantified, leading to a minimum of 4 individual analytical methods (organic impurities, water, solvents, inorganic residue). These multiple technique approaches measure an array of different chemical impurities normally present in purified organic chemical compounds. As many analytical methodologies have compound-specific response factors, the accuracy and traceability of the purity assessment is dependent on the availability of reference materials of the impurities being available. qNMR provides the most universally applicable form of direct purity determination without need for reference materials of impurities or the calculation of response factors but only exhibiting suitable NMR properties. The development of CRMs addressing qNMR specific measurement issues will give analysts compounds ideally suited for the analytical method and also provide full characterisation of qNMR related parameters to enable more realistic uncertainty budgets. These materials will give users the tools to exploit qNMR more easily and enable them to speed up analytical method development and reduce the time and financial burden of multiple analytical testing. T2 - 3rd Practical Application of NMR in Industry Conference (PANIC) 2015 CY - La Jolla, CA, USA DA - 09.02.2015 KW - qNMR KW - Quantitative NMR-Spektroskopie KW - Reference Material KW - Metrology PY - 2015 AN - OPUS4-36144 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - QM Summer School – teaching living quality management to our young generation N2 - In 2018, BAM (Federal Institute for Materials Research and Testing) and the young analysts of the department Analytical Chemistry at the Gesellschaft Deutscher Chemiker (German Chemical Society, GDCh) jointly organized the second summer school on quality assurance in analytical chemistry in Berlin, Germany. Over fifty doctoral students that are still in the initial stages of work participated in the week-long event and the participants were confronted with the most important basic concepts of internal and external systems of quality assurance in analytical chemistry. Especially young scientists and scholars deal with the development of analysis methods and often generate an increasingly growing wealth of data. Results are mostly evaluated under quantitative aspects and need to be assessed subject-specifically. In addition to the purely scientific requirements these results also should meet the requirements of analytical quality assurance. For this purpose, the development of analytical methods is accompanied by a process of validation – the documented proof that a method is suitable for the intended purpose and the defined requirements. This talk summarizes the didactic concept, which was used by the organizers to span an arc from the handling of process characteristics, such as accuracy, precision, linearity, recovery, up to measurement uncertainty and modern multivariate analysis techniques. In an open space workshop, the participants discussed their idea of quality management and worked out requirements after common sense. Interestingly, many participants had already implemented important quality assurance without professionally knowing it. T2 - Euroanalysis XX 2019 CY - Istanbul, Turkey DA - 01.09.2019 KW - Quality Management KW - Summer School KW - GDCh KW - Joung Analysts KW - Chemometrics KW - Education PY - 2019 UR - http://euroanalysis2019.com/ AN - OPUS4-48834 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozeßanalytik mit Online-NMR-Spektroskopie - geht das? T2 - Bruker Anwendertreffen CY - Ettlingen, Germany DA - 2008-11-12 PY - 2008 AN - OPUS4-18518 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozessverständnis mit quantitativer NMR-Spektroskopie T2 - Symposium "10 Jahre NMR im Chemieingenieurwesen" CY - Karlsruhe, Germany DA - 2009-07-02 PY - 2009 AN - OPUS4-19557 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozessverständnis mit quantitativer NMR-Spektroskopie T2 - Zentralabteilung für chemische Analysen, Arbeitskolloquium CY - Jülich, Germany DA - 2009-12-04 PY - 2009 AN - OPUS4-20591 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Petzoldt, Martin A1 - Dalitz, F. A1 - Vargas, M. A1 - Steiwand, A. A1 - Guthausen, G. T1 - Prozesskontrolle mittels MR-NMR: Erste Ergebnisse T2 - Doktorandentagung Attendorn CY - Attendorn, Germany DA - 2011-02-27 PY - 2011 AN - OPUS4-23293 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozessindustrie Gemeinsam Digital – Forschungsbedarf für die Digitalisierung der Prozessindustrie N2 - Die Digitale Transformation durchdringt weite Teile der Industrie mit einer zunehmenden Vernetzung und Digitalisierung entlang der Wertschöpfungskette. Basierend auf dem Whitepaper der DECHEMA „Digitalisierung in der Chemieindustrie“ entsteht die Vision eines gläsernen Apparates mit einem zeitlich, räumlich und methodisch dichtem Monitoring der Betriebszustände, das eine daten- und modellbasierte Optimierung transienter oder instationärer Prozesse (das heißt An-/Abfahren, Laständerungen, etc.) erlaubt. Auch der nicht bestimmungsmäßige Betrieb von Apparaten oder Modulen wird zuverlässig erkannt. Basis ist hier die Implementierung von innovativer Messtechnik und neuartigen Sensoren in Kombination mit der Anwendung datengetriebener oder rigoroser Modelle zur Prozesssimulation und -kontrolle. Anlagen, die auf diesem Konzept basieren, lassen sich sicher an Stabilitäts- bzw. Kapazitätsgrenzen und mit höherem Durchsatz betreiben. Trotz schwankender Rohstoffqualitäten kann eine gleichbleibende Zielqualität der Produkte mit rentablen Qualitätssicherungskosten garantiert werden. Dazu ist eine Vernetzung über weitere Branchen (Softwareingenieure, MSR-Technik, Betreiber, Hersteller) notwendig. Sie ergänzt komplementär die ENPRO-Initiative mit Themen der modularen Anlagenplanung und -konstruktion und modular verteilter Intelligenz. Ein Digitalisierungsbedarf besteht auch für bereits vorhandenen Anlagenbestand bzw. zukünftig nicht modular gestalteter Produktionsapparate der chemischen Industrie, um auch dort einen wesentlichen Beitrag zur Ressourcen- und Energieeffizienz zu leisten. T2 - DECHEMA-Workshop "Impulse für die Forschungsförderung - Digitalisierung" CY - Frankfurt am Main, Germany DA - 14.02.2019 KW - Pozessindustrie KW - Digitalisierung KW - Industrie 4.0 KW - Digitale Transformation KW - Forschungsbedarf PY - 2019 AN - OPUS4-47385 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozessanalytik: Konzepte und Strategien Prozessanalytik in Flüssigkeiten (Hardwareüberblick) T2 - Prozessanalytik: Konzepte und Strategien CY - Frankfurt am Main, Germany DA - 2011-10-19 PY - 2011 AN - OPUS4-24979 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozessanalytik: Konzepte und Strategien - Prozessanalytik in Flüssigkeiten T2 - GDCh-PAT-Weiterbildungsmodul "Konzepte und Strategien" 2012 CY - Frankfurt am Main, Germany DA - 2012-10-23 PY - 2012 AN - OPUS4-27028 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozessanalytik 2012 Stand&Tendenzen T2 - Frühjahrsschule "Industrielle Analytik" Universität Ulm CY - Ulm, Germany DA - 2012-03-19 PY - 2012 AN - OPUS4-26709 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozessanalytik 2012 Stand&Tendenzen T2 - Teilchengrößenanalytik in Prozessen: Messtechniken für Emulsionen und Suspensionen CY - Potsdam, Germany DA - 2012-10-10 PY - 2012 AN - OPUS4-27029 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozessanalytik 2009 - Stand und Tendenzen T2 - Spectaris Laborforum 2009 "Quo vadis Prozessanalytik" CY - Frankfurt am Main, Germany DA - 2009-11-10 PY - 2009 AN - OPUS4-20157 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozessanalytik - Stand und Tendenzen (eingeladen) T2 - RWTH Aachen und Aixcape CY - Aachen, Germany DA - 2010-01-27 PY - 2010 AN - OPUS4-22919 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozessanalytik - Stand und Tendenzen T2 - 4. Doktorandentagung GDCh CY - Attendorn, Germany DA - 2010-02-21 PY - 2010 AN - OPUS4-22920 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Paul, Andrea A1 - Meyer, Klas A1 - Ruiken, J.-P. A1 - Illner, M. A1 - Müller, D. A1 - Esche, E. A1 - Wozny, G. T1 - Prozess-Spektroskopie in Mikroemulsionen für das Online-Monitoring einer homogenen Hydroformylierungsanlage N2 - Homogen katalysierte Reaktionsschritte sind ein wichtiges Werkzeug in der chemischen Industrie. Durch die milden Reaktionsbedingungen hinsichtlich Temperatur und Druck bei gleichzeitig hoher Selektivität bieten diese die Möglichkeit energieeffizienter und ressourcenschonender Produktionsschritte. Eine der wichtigsten industriellen Anwendungen bildet die Hydroformylierung. Hier besteht das Katalysatorsystem meist aus Übergangsmetallkomplexen, vorwiegend Kobalt und Rhodium, die zur Steuerung der Selektivität und Löslichkeit mit mehrzähnigen Liganden koordiniert sind. Diese Komplexe liegen für eine effiziente Katalysator-rückführung in wässriger Lösung vor, was jedoch die Anwendbarkeit auf kurzkettige Edukte mit hinreichender Wasserlöslichkeit beschränkt. Ein möglicher Lösungsansatz für die Verwendung langkettiger Alkene ist die Umsetzung der Reaktion in einer Mikroemulsion. Durch die gesteigerte Phasen-grenzfläche besteht ein effektiver Kontakt von Katalysator und Reaktanden bei gleichzeitiger Möglichkeit der Produktseparation durch Phasentrennung, während der Katalysator dem Reaktionsschritt zurückgeführt wird und das Verfahren damit wirtschaftlich macht. Am Beispiel der Reaktion von 1-Dodecen zu Tridecanal wird der Einsatz von Online-NMR- und -Raman-Spektroskopie für die Prozessanalytik (sowie Applikation von komplexen Regelungskonzepten) innerhalb eines mizellaren Systems demonstriert. Ein speziell konzipierter Laboraufbau ermöglicht die Durchführung von Experimenten unter Prozessbedingungen für die in Mikroemulsionen äußerst anspruchsvolle Entwicklung und Kalibrierung von multivariaten Modellen für die Raman-Spektroskopie. Diese konnten anschließend im Rahmen einer mehrtägigen Betriebs-studie einer Miniplant am realen technischen System erprobt werden. T2 - Bruker Optics Anwendertreffen 2017 CY - Ettlingen, Germany DA - 07.11.2017 KW - Prozessanalytik KW - Reaktionsmonitoring KW - Industrie 4.0 KW - Online-Raman-Spektroskopie KW - Online-NMR-Spektroskopie KW - Hydroformylierung KW - Mikroemulsionen PY - 2017 AN - OPUS4-42753 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Prozess-Spektroskopie Einführung in die spektroskopischen methoden der Prozessanalytik T2 - Frühjahrsschule "Industrielle Analytik" Universität Ulm CY - Ulm, Germany DA - 2012-03-19 PY - 2012 AN - OPUS4-26708 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Guhl, Svetlana A1 - Maiwald, Michael A1 - Kern, Simon A1 - Meyer, Klas A1 - Wander, Lukas A1 - Bornemann-Pfeiffer, Martin T1 - Produzieren Sie schon oder kalibrieren Sie noch? – Online-NMR-Spektrometer als Smarte Feldgeräte N2 - Der Übergang von der aktuellen Automatisierungslandschaft zur nächsten Generation von Automatisierungskonzepten für die Prozessindustrie hat bereits begonnen. Intelligente Funktionen der Sensoren vereinfachen ihre Anwendung und ermöglichen eine Plug-and-Play-Integration, auch wenn sie auf den ersten Blick komplexer erscheinen mögen. Dies ist die Basis für die Digitalisierung der Prozessindustrie und hilft uns, komplexere Prozesse schneller umzusetzen. Der Vortrag fasst die derzeit diskutierten allgemeinen Anforderungen an „Smarte Feldgeräte“ zusammen und diskutiert dieses am Beispiel eines smarten Online-NMR-Sensors. NMR-Spektroskopie bietet sich durch den Vorteil der direkten Vergleichsmethode (ohne Kalibrierung) für die Prozess-Steuerung an und verringert somit die Rüstzeiten. Zudem basiert der Sensor auf physikalisch motivierten Modellen (Indirect Hard Modeling, IHM), die sich modular kombinieren lassen. Die Methoden wurden anhand eines vorgegebenen pharmazeutischen Reaktionsschrittes im Rahmen des „Horizon 2020“-Projekts CONSENS der Europäischen Union demonstriert und validiert. Zuletzt werden Anforderungen an die Weiterentwicklung der Datenauswertemethoden diskutiert, um letztlich die semantische Information aus den Messdaten herauszulesen oder das in der Industrie 4.0 geforderte „durchgehende Engineering“ für die Automatisierungskomponenten zu ermöglichen. T2 - ProcessNet-Jahrestagung und 33. DECHEMA-Jahrestagung der Biotechnologen CY - Aachen, Germany DA - 10.09.2018 KW - Prozessindustrie KW - Prozessanalytik KW - Online-NMR-Spektroskopie KW - Datenkonzepte KW - Datenanalyse KW - CONSENS PY - 2018 N1 - Geburtsname von Bornemann-Pfeiffer, Martin: Bornemann, M. - Birth name of Bornemann-Pfeiffer, Martin: Bornemann, M. AN - OPUS4-45934 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Ostermann, Markus A1 - Schmid, Thomas T1 - Process analytical technology for resource analytics – The role of reference materials N2 - Resource Analytics with the help of process analytical technology and the use of online methods is becoming increasingly important for mining and processing technologies and for the recovery of raw materials from secondary raw materials. Current online analytical methods like laser-induced breakdown spectroscopy (LIBS), X-ray fluorescence analysis (RFA), or Raman spectroscopy for the characterization of primary and secondary raw materials are increasingly being used in close association with the technologies for exploration and extraction, mechanical and metallurgical processing, as well as for recycling. Because of the complex matrices such methods are a considerable challenge at the same time. The use of reference materials, which are derived from appropriate matrices, can considerably shorten calibration and method development times. As an example, the development of an online process control method for recovery of phosphorus from sewage sludge ashes is discussed. A combination of LIBS and RFA was developed for the determination of element contents in sewage sludge ashes and their products coming from a thermo-chemical reprocessing step, which removes pollutants. T2 - Analytica Conference CY - München, Germany DA - 10.05.2016 KW - Resource Analytics KW - Ressourcenanalytik KW - Prozessanalytik KW - Process Analytical Technology PY - 2016 AN - OPUS4-36043 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Process analytical applications of High Resolutiom On-Line NMR Spectroscopy T2 - Ruhr Universität Bochum, GDCh-Kolloquium CY - Bochum, Germany DA - 2010-10-18 PY - 2010 AN - OPUS4-22924 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Paul, Andrea A1 - Zientek, Nicolai A1 - Batzdorf, Lisa A1 - Emmerling, Franziska T1 - Online-qNMR-Spektroskopie zur Charakterisierung des Lösungsverhaltens von pharmazeutischen Wirkstoffen und Formulierungen N2 - Nur weit weniger als ein Prozent aller pharmazeutischen Wirkstoffe finden den Weg in die Anwendung. Grund dafür sind in fast allen Fällen die äußerst schlechten biopharmazeutischen Eigenschaften der Wirkstoffe, wie ihre Löslichkeit, Stabilität und – bei festen Darreichungsformen – ihre Kristalleigenschaften, auch wenn die Wirkstoffe eine gute Wirksamkeit oder gute toxikologische Eigenschaften aufweisen. Mit dem Trend zu höheren Molmassen bei chemischen Wirkstoffen nimmt ihre Löslichkeit in wässrigen Systemen rapide ab. Verbesserungen der Löslichkeit und des Auflösungsverhalten stellen heute die zentrale Herausforderung bei der Entwicklung neuer Arzneimittel dar und liegen im Fokus der aktuellen pharmazeutischen Forschung und Entwicklung. Für eine Verbesserung der physikalisch chemischen Eigenschaften werden verschiedene Verfahren beforscht: Mikronisierung, gezielte Salzbildung bzw. Salzscreening, Solubilisierung mit Cosolventien oder die Nutzung von Polymeren als mögliche Transportwege. Pharmazeutische Cokristalle bestehen aus einem Wirkstoff und einem sogenannten Cokri-stall-Bildner. Bei letzterem handelt es sich typischerweise um ein organisches Molekül, das ähnliche Struktureigenschaften wie der pharmazeutische Wirkstoff aufweist. Die Synthese und Charakterisierung von pharmazeutischen Cokristallen ist von patentrechtlicher Relevanz und Gegenstand aktueller Forschungen, da die Bildung solcher Cokristalle häufig mit einer Verbesserung der physikochemischen Eigenschaften der enthaltenen Wirkstoffe einhergeht. In den letzten Jahren ist es gelungen, insbesondere das Auflösungsverhalten der pharmazeutischen Wirkstoffe gezielt zu verbessern und dadurch eine optimierte Bioverfügbarkeit zu realisieren. Um einige Einschränkungen der Methoden UV/VIS-Detektion und HPLC zu umgehen, verfolgen wir das Auflösungsverhalten der Cokristalle mittels Online-NMR-Spektroskopie als ein direktes Verfahren: Die Methode erlaubt zum einen die direkte Beobachtung und Quantifizierung individueller Species, die bei der Auflösung beteiligt sind, d. h. Wirkstoff(e), Cokristallbildner und Lösungsmittel lassen sich getrennt voneinander mit einer hohen zeitlichen Auflösung und spektraler Dispersion beobachten. Ferner kommt diese Me-thode ohne Kalibrierung aus, da die NMR-Spektroskopie eine "absolute Vergleichsmethode" ist. Darüber hinaus kann die absolute Konzentration gemessen werden, wenn gegen Standards gearbeitet wird. Der Einsatz dieses Verfahrens zum Studium des Auflösungsverhaltens ist völlig neu. Perspektivisch reizvoll ist die Weiterentwicklung zu einem mikroanalytischen Verfahren, das mit äußerst geringen Substanzmengen auskommt. T2 - Institutskolloquium Pharmazie und Lebensmittelchemie, Julius-Maximilians-Universität Würzburg CY - Würzburg, Germany DA - 27.07.2017 KW - Pharmazeutische Wirkstoffe KW - Pharmazeutische Formulierungen KW - Cokristalle KW - qNMR-Spektroskopie KW - Quantitative NMR-Spektroskopie KW - Auflösungsverhalten PY - 2017 AN - OPUS4-41166 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Online-NMR-Spektroskopie in der Prozessanalytik T2 - Jahreskolloquium 2008 "Sensorik und Prozessanalytik" CY - Berlin, Germany DA - 2008-11-10 PY - 2008 AN - OPUS4-18504 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Online NMR-Spektroskopie in der Prozessanalytik T2 - Seminar des Institutes für technische Chemie ( eingeladener Vortrag), Universität Stuttgart CY - Stuttgart, Germany DA - 2011-07-05 PY - 2011 AN - OPUS4-24103 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Online NMR spectroscopy paves the way for short development times in industrial reaction and process monitoring N2 - Modular chemical production is a tangible implementation of the digital transformation of the specialty chemicals process industry. In particular, it enables acceleration of process development and thus faster time to market by flexibly interconnecting and orchestrating standardized physical modules and bringing them to life. For this purpose, specific (chemical) sensors of process analytics are needed, preferably without lengthy calibration or spectroscopic model development. An excellent example of a "direct" analytical method is online nuclear magnetic resonance (NMR) spectroscopy. NMR spectroscopy meets the requirements of a direct analytical method because of the direct correlation between the signal area in the spectrum ("counting" the nuclear spins) and the analyte amount of substance concentrations. It is also extremely linear over the concentration range. With the availability of compact benchtop NMR instruments, it is now possible to bring NMR spectroscopy directly into the field, in close proximity to specialized laboratory facilities, pilot plants, and even industrial-scale production facilities. The first systems are in TRL 8 (Qualified System with Proof of Functionality in the Field). The presentation will discuss the many building blocks of online nuclear magnetic resonance spectroscopy, from flow cells to automated data analysis. T2 - SFB 1527 HyPERiON “High Performance Compact Magnetic Resonance“ Online Seminar CY - Karlsruhe, Germany DA - 06.07.2023 KW - Online NMR Spectroscopy KW - Process Monitoring KW - Reaction Monitoring KW - Industry 4.0 KW - Automation KW - Modular Production PY - 2023 AN - OPUS4-57862 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Online NMR spectroscopy for process analytical applications and aspects on automation and digitization of process industry N2 - Chemical companies must find new paths to successfully survive in a changing environment. The potential of digital technologies belongs to these. Flexible and modular chemical plants can produce various high-quality products using multi-purpose equipment with short down-times between campaigns and reduce time to market for new products. Intensified continuous production plants allow for difficult to produce compounds. Therefore, fully automated “chemical” process control along with real-time quality control are prerequisites to such concepts while being based on “chemical” information. As an example, a fully automated NMR sensor is introduced, using a given pharmaceutical lithiation reaction as an example process within a modular pilot plant. Therefore, a commercially available benchtop NMR spectrometer was adapted to the full requirements of an automated chemical production environment such as, e.g., explosion safety, field communication, and robust evaluation of sensor data. It was thereof used for direct loop advanced process control and real-time optimization of the process. NMR appeared as preeminent online analytical tool and allowed using a modular data analysis tool, which even served as reliable reference method for further PAT applications. A full integration and intelligent interconnection of such systems and processes progresses only hesitantly. The talk should encourage to re-think digitization of process industry based on smart sensors, actuators, and communication more comprehensively and informs about current technical perspectives such as the “one-network paradigm”, edge computing, or virtual machines. These give smart sensors, actuators, and communication a new perspective. T2 - Advances in Process Analytics and Control Technology 2019 Conference (APACT) CY - Chester, United Kingdom DA - 30.04.2019 KW - Process Analytical Technology KW - Reaction Monitoring KW - Online NMR Spectroscopy KW - Process Industry KW - Distributed Networks KW - Digital Twin PY - 2019 AN - OPUS4-47907 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Meyer, Klas A1 - Ruiken, Jan-Paul A1 - Paul, Andrea A1 - Kern, Simon T1 - Online NMR spectroscopy as an essential tool in a multi-spectral reaction understanding approach T2 - Panle Discussion and Workshop "Reaction Monitoring with NMR Spectroscopy" SMASH 2015 CY - Baveno, Italy DA - 2015-09-24 PY - 2015 AN - OPUS4-35162 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -