Automated chiral method screening. Evaluation of generated chromatographic data sets to further optimize screening efficiency
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Autor:innen
Freund, Ernst
Meyer, Daniel
Schneider, Nadine
Lozach, Marie-Anne
Schröder, Harald
Cinar, Catagay
Wagner, Trixie
Autor:in (Körperschaft)
Publikationsdatum
10.05.2021
Typ der Arbeit
Studiengang
Typ
01A - Beitrag in wissenschaftlicher Zeitschrift
Herausgeber:innen
Herausgeber:in (Körperschaft)
Betreuer:in
Übergeordnetes Werk
Journal of Chromatography A
Themenheft
DOI der Originalpublikation
Link
Reihe / Serie
Reihennummer
Jahrgang / Band
1644
Ausgabe / Nummer
Seiten / Dauer
Patentnummer
Verlag / Herausgebende Institution
Elsevier
Verlagsort / Veranstaltungsort
Auflage
Version
Programmiersprache
Abtretungsempfänger:in
Praxispartner:in/Auftraggeber:in
Zusammenfassung
We set up an automated screening process to routinely test 10 chiral supercritical fluid chromatography (SFC) methods - five columns combined with two co-solvents - as part of a chiral separation lab workflow. Proprietary software tools enabled automated method screening of racemates, parallel evaluation of the resulting chromatograms for enantiomer separation and report generation. This process is largely automated and resulted in an efficient and reliable lab process with a minimum requirement for human intervention. Screenings were conducted on a test set of 756 racemates that were selected with focus on structural variation and on 2667 proprietary samples from lab routines. Statistical analysis revealed that up to 92% of the tested racemic mixtures could be successfully separated with at least one of the tested conditions of the screening. Process efficiency was further increased by identification of optimal method screening sequence, re-definition of the optimal column set and project-specific adaptations considering reduced structural variation of the analytes. This study illustrates the usefulness of consistent chromatographic data sets to accelerate and facilitate the identification of chiral methods to separate enantiomers by automated processing and statistical analysis.
Schlagwörter
Self-evaluating chiral SFC screening, Online evaluation of chromatograms, Automated data generation, Homogeneous chiral SFC datasets, Customization of chiral SFC screenings, Optimization of chiral SFC screenings
Fachgebiet (DDC)
Veranstaltung
Startdatum der Ausstellung
Enddatum der Ausstellung
Startdatum der Konferenz
Enddatum der Konferenz
Datum der letzten Prüfung
ISBN
ISSN
1873-3778
0021-9673
0021-9673
Sprache
Englisch
Während FHNW Zugehörigkeit erstellt
Ja
Publikationsstatus
Veröffentlicht
Begutachtung
Peer-Review der ganzen Publikation
Open Access-Status
Closed
Lizenz
Zitation
FREUND, Ernst, Daniel MEYER, Nadine SCHNEIDER, Marie-Anne LOZACH, Harald SCHRÖDER, Catagay CINAR, Götz SCHLOTTERBECK und Trixie WAGNER, 2021. Automated chiral method screening. Evaluation of generated chromatographic data sets to further optimize screening efficiency. Journal of Chromatography A. 10 Mai 2021. Bd. 1644. DOI 10.1016/j.chroma.2021.462094. Verfügbar unter: https://irf.fhnw.ch/handle/11654/33387