“Click” analytics for “click” chemistry – a simple method for calibration-free evaluation of online NMR spectra
- 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 [1]. 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 algo-rithm to interpret theCurrently 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 [1]. 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 algo-rithm 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 spectra were recorded with an acquisition time of 5 s, relaxation delay of 15 s.…
MetadatenAutor*innen: | Simon KernORCiD |
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Koautor*innen: | Aleksandra Michalik-Onichimowska, Jens Riedel, Ulrich Panne, R. King, Michael Maiwald |
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Dokumenttyp: | Posterpräsentation |
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Veröffentlichungsform: | Präsentation |
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Sprache: | Englisch |
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Jahr der Erstveröffentlichung: | 2017 |
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DDC-Klassifikation: | Naturwissenschaften und Mathematik / Chemie / Analytische Chemie |
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Freie Schlagwörter: | Click chemistry; Data analysis; Online NMR Spectroscopy |
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Veranstaltung: | 11. Doktorandenseminar 2017 des Arbeitskreis Prozessanalytik der GDCh und DECHEMA |
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Veranstaltungsort: | Berlin, Germany |
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Beginndatum der Veranstaltung: | 12.03.2017 |
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Enddatum der Veranstaltung: | 14.03.2017 |
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Verfügbarkeit des Dokuments: | Datei im Netzwerk der BAM verfügbar ("Closed Access") |
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Datum der Freischaltung: | 16.03.2017 |
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Referierte Publikation: | Nein |
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