Cheminformatics and Computational Chemical Biology

Biography

Biography: Jin Ouyang

Abstract

Mass spectrometry (MS) provides a powerful method for high throughput screening (HTS) small molecular drugs because its high speed, sensitivity and property of label free. However, there were some limits for traditional MS methods in the application of high-throughput screening. Herein, we developed a simple interface which coupled droplet segmented system to a venturi easy ambient sonic-spray ionization mass spectrometry (V-EASI-MS). It is fabricated by using a single capillary to act as both sampling probe and the emitter, which simplifies the construction, reduces the cost and shorten the sampling time. Samples sucked by venturi effect are segmented to nanoliter plugs by air, then the plugs can be detected by MS directly. The new system has been applied to screen angiotensin converting enzyme inhibitors successfully. A house-made desorption electrospray ionization mass spectrometry (DESI-MS) is also established for high-throughput screening system. In addition, we have also synthesized new aggregation induced emission (AIE) compounds to apply as new matrics in the analysis of small molecules by MALDI-TOF-MS as well. The sensitivity of the AIE matrix is high because they decreased the generation of matrix interference.