Integration of Direct Nano-volume OPI-MS with Unchained Labs Junior for rapid sampling high throughput reaction screening in drug discovery

Authors

• DR Calabrese
• N Hoxie
• J Janiszewski
• P Bende
• JC Klein
• A Godfrey
• S Michael
• T Masquelin

Abstract

The Junior was capable of accurately delivering 100 nL samples to the OPI-MS inlet via positive displacement pipets. This had several advantages over the six-tip needle head, which could not reliably dispense samples below 10uL. Aliquots could be automatically dispensed to the OPI-MS every 80 seconds allowing for rapid sampling using the positive displacement pipets. However, the positive displacement pipets could only reach a limited area of the Junior which restricted the types of chemistry that could be run while the OPI-MS inlet was on the Junior. Thus, we redesigned the Junior and created a new space for the OPI-MS inlet while retaining the rack space for chemical reaction set up, execution, and dilution.

Presently, we have set up, executed, and sampled chemical reactions using through automation on the Unchained Labs Junior and the OPI-MS working in tandem for real time reaction analysis. The Junior set up and ran an N-alkylation reaction, and at regular time intervals diluted an aliquot of the reaction and sent 100 nL of the dilution to the OPI-MS inlet over a time course of seven hours. The product peak reached a maximum around 4 hours and then decreased as the product degradation peak continuously increased. The real time analysis that was possible with this method demonstrated precisely when the reaction reached its optimal yield. This work is currently being expanded to monitor high throughput reaction screens for reactions that are particularly time sensitive.

Scientific Focus Area: Research Support Services

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