TY - CONF A1 - Maiwald, Michael A1 - Gräßer, Patrick A1 - Wander, Lukas A1 - Guhl, Svetlana A1 - Bornemann-Pfeiffer, Martin A1 - Paul, Andrea A1 - Meyer, Klas A1 - Kern, Simon T1 - NMR spectroscopy for online monitoring and process control N2 - 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. We present a range of approaches for the automated spectra analysis moving from statistical approach, (i.e., Partial Least Squares Regression) to physically motivated spectral models (i.e., Indirect Hard Modelling and Quantum Mechanical calculations). 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. Here we introduce our smart online NMR sensor module provided in an explosion proof housing as example.Based on concentration measurements of reagents and products by the NMR analyzer a continuous production and direct loop process control were successfully realized for several validation runs in a modular industrial pilot plant and compared to conventional analytical methods (HPLC, near infrared spectroscopy). The NMR analyser was developed for an intensified industrial process funded by the EU’s Horizon 2020 research and innovation programme. T2 - Global Expert Meeting Analytical Quantification, Syngenta Crop Protection AG CY - Stein, Switzerland DA - 22.05.2018 KW - Process monitoring KW - Online NMR spectroscopy KW - Indirect hard modeling KW - Benchtop NMR spectroscopy PY - 2018 N1 - Geburtsname von Bornemann-Pfeiffer, Martin: Bornemann, M. - Birth name of Bornemann-Pfeiffer, Martin: Bornemann, M. AN - OPUS4-45004 LA - eng 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 - Bornemann-Pfeiffer, Martin A1 - Paul, Andrea A1 - Meyer, Klas A1 - Kern, Simon T1 - Already producing or still calibrating? – Online NMR spectroscopy as smart field device 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. Here we introduce our smart online NMR sensor module provided in an explosion proof housing as example. 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. We present a range of approaches for the automated spectra analysis moving from statistical approach, (i.e., Partial Least Squares Regression) to physically motivated spectral models (i.e., Indirect Hard Modelling and Quantum Mechanical calculations). Based on concentration measurements of reagents and products by the NMR analyzer a continuous production and direct loop process control were successfully realized for several validation runs in a modular industrial pilot plant and compared to conventional analytical methods (HPLC, near infrared spectroscopy). The NMR analyser was developed for an intensified industrial process funded by the EU’s Horizon 2020 research and innovation programme (“Integrated CONtrol and SENsing”, www.consens-spire.eu). T2 - Analytical Chemists Meeting, Syngenta Crop Protection Monthey SA CY - Monthey, Switzerland DA - 23.05.2018 KW - Process monitoring KW - Online NMR spectroscopy KW - Indirect hard modeling KW - Benchtop NMR spectroscopy KW - Direct loop control PY - 2018 N1 - Geburtsname von Bornemann-Pfeiffer, Martin: Bornemann, M. - Birth name of Bornemann-Pfeiffer, Martin: Bornemann, M. AN - OPUS4-45006 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Steinmüller, D A1 - Gerlach, M T1 - Wandel der Prozessanalytik vom Exot zur Informationsquelle der digitalisierten Automation N2 - Die ehemals wegen komplexer Technik und vergleichsweise hohen Wartungskosten beim Anwender ungeliebte Prozessanalysentechnik (PAT) erfährt sich mittlerweile immer mehr als etablierender Bereich mit einem großen Zuwachs und Dynamik. Die Prozesskontrolle und -steuerung über physikalische Kenngrößen wie Druck und Temperatur lässt eine weitere Optimierung der Anlagen kaum mehr zu. Nur mittels stoffspezifischer Analysen lassen sich Rohstoffschwankungen, Ausbeuten und Energieeinsatz konsequent optimieren. Der systematische Einsatz der Prozessanalysentechnik verändert Prozesse und Produktionsumgebungen und hat damit die Chance, Kernstück dezentral automatisierter Produktionseinheiten zu werden. Ein neuer Arbeitskreis der NAMUR AK 3.7 „Smarte Sensorik, Aktorik und Kommunikation“ wird diesem verstärkt Rechnung tragen. Es werden reale Anwendungsbeispiele aufgezeigt, die eine schnelle Amortisation von PAT im Prozess untermauern. T2 - ACHEMA 2018 - AUTOMATION IM DIALOG CY - Frankfurt a. M., Germany DA - 11.06.2018 KW - Prozessanalytik KW - Automation KW - Industrie 4.0 KW - Prozessanalysentechnik KW - NAMUR KW - ZVEI PY - 2018 AN - OPUS4-45193 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 - Gräßer, Patrick A1 - Wander, Lukas A1 - Guhl, Svetlana A1 - Bornemann-Pfeiffer, Martin A1 - Paul, Andrea A1 - Meyer, Klas A1 - Kern, Simon T1 - Already producing or still calibrating? – Online NMR spectroscopy as smart field device 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. Industry 4.0, IIoT, or Lab 4.0 will enable us to handle more complex processes in shorter time. Intensified production concepts require for adaptive analytical instruments and control technology to realize short set-up times, modular control strategies. They are based on a digitized Laboratory 4.0. T2 - GA-Conference CY - BASF, Ludwigshafen, Germany DA - 16.05.2018 KW - Process Monitoring KW - Online NMR Spectroscopy KW - Industrie 4.0 KW - Indirect Hard Modeling KW - Laboratory 4.0 KW - CONSENS PY - 2018 N1 - Geburtsname von Bornemann-Pfeiffer, Martin: Bornemann, M. - Birth name of Bornemann-Pfeiffer, Martin: Bornemann, M. AN - OPUS4-44895 LA - eng 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 - Bornemann-Pfeiffer, Martin A1 - Paul, Andrea A1 - Meyer, Klas A1 - Kern, Simon T1 - NMR spectroscopy for online monitoring and process control 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. Here we introduce our smart online NMR sensor module provided in an explosion proof housing as example. 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. We present a range of approaches for the automated spectra analysis moving from statistical approach, (i.e., Partial Least Squares Regression) to physically motivated spectral models (i.e., Indirect Hard Modelling and Quantum Mechanical calculations). Based on concentration measurements of reagents and products by the NMR analyzer a continuous production and direct loop process control were successfully realized for several validation runs in a modular industrial pilot plant and compared to conventional analytical methods (HPLC, near infrared spectroscopy). The NMR analyser was developed for an intensified industrial process funded by the EU’s Horizon 2020 research and innovation programme (“Integrated CONtrol and SENsing”, www.consens-spire.eu). T2 - REsearch and Development Seminar, Syngenta Crop Protection AG CY - Münchwilen, Switzerland DA - 22.05.2018 KW - Process monitoring KW - Online NMR spectroscopy KW - Indirect hard modeling KW - Benchtop NMR spectroscopy PY - 2018 N1 - Geburtsname von Bornemann-Pfeiffer, Martin: Bornemann, M. - Birth name of Bornemann-Pfeiffer, Martin: Bornemann, M. AN - OPUS4-45003 LA - eng 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 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 T1 - Aktuelle Herausforderungen für die Prozessanalytik – von der Online-NMR-Spektroskopie im Feld bis zum Plasmaspektrometer auf dem Acker N2 - Der Vortrag stellt einige aktuelle Herausforderungen für die Prozessanalytik und mögliche Antworten vor. Gepulste Raman-Spektrometer akkumulieren das Raman-Signal mit Hilfe schneller optischer Schalter im Picosekunden-Bereich, bevor langlebigere Fluoreszenzanregung entsteht. Damit lassen sich stark fluoreszierende Materialien untersuchen, die bislang nicht zugänglich sind. Eine weitere interessante Entwicklung ist etwa die Shifted excitation Raman difference spectroscopy (SERDS) die besonders für biologische Anwendungen interessant ist. Flexible, modulare Produktionsanlagen stellen einen vielversprechenden Ansatz für die kontinuierliche Produktion von Fein- und Spezialchemikalien dar. In einem EU-Projekt wurde die Feldintegration eines Online-NMR-Sensormoduls als smartes Modul für die Prozesskontrolle vorangebracht. Dieses Modul basiert auf einem kommerziell erhältlichen Niederfeld-NMR-Spektrometer, welche zurzeit für die Anwendung im Laborbereich erhältlich ist. Für die Feldintegration wurde ein ATEX-zertifiziertes, explosionsgeschütztes Gehäuse entwickelt sowie Automationsschemen für den unbeaufsichtigten Betrieb und für die kalibrierfreie spektrale Datenauswertung erstellt. Eine sehr gut anwendbare analytische Messtechnik zur Kontrolle der elementaren Zusammensetzung von verschiedensten Materialien ist die laserinduzierte Plasmaspektroskopie (LIPS, engl. LIBS - Laser-induced Breakdown Spectroscopy). Bei der LIBS wird ein kurz gepulster Laser auf eine Probe fokussiert, um ein Leuchtplasma zu erzeugen. Das dabei erzeugte Atomemissionsspektrum ermöglicht eine qualitative und quantitative Analyse der Zusammensetzung der Probe bezüglich praktisch aller Elemente des Periodensystems. In einem aktuellen Projekt wird diese Methode neben anderen zur Online-Analyse von Ackerböden für die ortsspezifischer Bewirtschaftung (Precision Agriculture) weiterentwickelt und bewertet. T2 - Seminar der Institute Analytische Chemie CY - Universität Duisburg-Essen, Essen, Germany DA - 23.04.2018 KW - Prozessanalytik KW - Time-gated Raman-Spektroskpie KW - Online-NMR-Spektroskopie KW - Laser-induced Breakdown Spectroscopy KW - Online-RFA-Spektroskopie PY - 2018 AN - OPUS4-44754 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Workshop: Basic Statistics for NMR 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 - qNMR-Summit 2018 CY - Würzburg, Germany DA - 10.10.2018 KW - Quantitative NMR Spectroscopy KW - Statistics KW - Quality Assurance KW - NMR validation KW - qNMR PY - 2018 AN - OPUS4-46368 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -