How Scientists Are Accelerating Chemistry Discoveries With Automation | NSI Awards

 How Scientists Are Accelerating Chemistry Discoveries With Automation

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A new automated workflow developed by scientists at Lawrence Berkeley National Laboratory (Berkeley Lab) has the potential to allow researchers to analyze the products of their reaction experiments in real time, a key capability needed for future automated chemical processes.

The developed workflow – which applies statistical analysis to process data from nuclear magnetic resonance (NMR) spectroscopy – could help speed the discovery of new pharmaceutical drugs, and accelerate the development of new chemical reactions.

The Berkeley Lab scientists who developed the groundbreaking technique say that the workflow can quickly identify the molecular structure of products formed by chemical reactions that have never been studied before. They recently reported their findings in the Journal of Chemical Information and Modeling.

In addition to drug discovery and chemical reaction development, the workflow could also help researchers who are developing new catalysts. Catalysts are substances that facilitate a chemical reaction in the production of useful new products like renewable fuels or biodegradable plastics.

“What excites people the most about this technique is its potential for real-time reaction analysis, which is an integral part of automated chemistry,” said first author Maxwell C. Venetos, a former researcher in Berkeley Lab’s Materials Sciences Division and former graduate student researcher in materials sciences at UC Berkeley. He completed his doctoral studies last year. “Our workflow really allows you to start pursuing the unknown. You are no longer constrained by things that you already know the answer to.”

“What excites people the most about this technique is its potential for real-time reaction analysis, which is an integral part of automated chemistry.”

– Maxwell C. Venetos, first author and former Materials Sciences Division researcher


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