“The Robot Spectroscopist: Automation for Small Molecule Structure Verification”
We are glad to announce the next date for our Webinar Series 2017! Here Dr. Markus Schade (Grünenthal GmbH) will focus on automated small molecule structure verification. We hope you can join us!
Quality control of synthetic small molecules is still primarily performed manually by expert NMR spectroscopists.
Here we show how several process steps can be automated and integrated into the workflow of synthetic chemists in order to take routine work off the shoulders of the NMR experts.
Firstly, we enable the submission of samples for NMR analytics from within a chemist’s electronic laboratory notebook (ELN). Secondly, we semi-automatically handle the samples in 96-well format, and automatically analyze the NMR spectra by using Mnova’s Verify-Listener module. Finally, we report back the key analysis results “Chemical Structure correct?” and “Relative Purity” to the ELN in a tabular overview, allowing the chemist to view and sort through tens to hundreds of substances at a time. The system works 24/7 and enables the processing of packs of substances from parallel synthesis or external sources.
ABOUT THE SPEAKER
Markus holds a Ph.D. in biochemistry and an MBA in entrepreneurial management.
Markus has been working in industry NMR research for over 15 years at Pfizer, AstraZeneca, Grünenthal and Biotechs.
At Grünenthal, Markus manages NMR analytics and fragment-based screening in early drug discovery.