Exploring New Reactions with an Accessible High-throughput Screening (Open-HTS) Chemical Robotic System

IF 3.1 3区化学 Q2 CHEMISTRY, APPLIED

Organic Process Research & Development Pub Date : 2025-05-28 DOI:10.1021/acs.oprd.5c00027

Heming Jiang, Ying Chen, Meirong Huang, Tingjun Liu, Yun-Dong Wu, Xinhao Zhang

引用次数: 0

Abstract

High-throughput screening offers the potential to expedite labor-intensive experiments more efficiently. In this work, we developed a cost-effective, versatile, and high-throughput microfluidic-based chemical robotic system (Open-HTS) which accomplishes reaction discovery, optimization of reaction conditions, and evaluation of substrate scope with a zoom-in convergent strategy. We demonstrated that 9 hits of new reactions were discovered by exploring 3920 reactions at the time scale of 1.2 min per reaction with this chemical robot. Further automatic optimization and evaluation on chemical parameters, scale, and substrate scopes were conducted for the newly discovered nitrile hydration reaction. This platform can be easily accessed and accelerates reaction discovery conducted by a traditional synthetic laboratory.

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利用可访问的高通量筛选（Open-HTS）化学机器人系统探索新反应

高通量筛选提供了更有效地加快劳动密集型实验的潜力。在这项工作中，我们开发了一种具有成本效益，多用途和高通量的基于微流体的化学机器人系统（Open-HTS），该系统通过放大收敛策略完成反应发现，反应条件优化和底物范围评估。我们用这个化学机器人在每个反应1.2 min的时间尺度上探索了3920个反应，发现了9个新反应。对新发现的腈水化反应进行了进一步的化学参数、规模和底物范围的自动优化和评价。该平台易于访问，并加快了传统合成实验室进行的反应发现。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Organic Process Research & Development 化学-应用化学

CiteScore

6.90

自引率

14.70%

发文量

251

审稿时长

2 months

期刊介绍： The journal Organic Process Research & Development serves as a communication tool between industrial chemists and chemists working in universities and research institutes. As such, it reports original work from the broad field of industrial process chemistry but also presents academic results that are relevant, or potentially relevant, to industrial applications. Process chemistry is the science that enables the safe, environmentally benign and ultimately economical manufacturing of organic compounds that are required in larger amounts to help address the needs of society. Consequently, the Journal encompasses every aspect of organic chemistry, including all aspects of catalysis, synthetic methodology development and synthetic strategy exploration, but also includes aspects from analytical and solid-state chemistry and chemical engineering, such as work-up tools，process safety, or flow-chemistry. The goal of development and optimization of chemical reactions and processes is their transfer to a larger scale; original work describing such studies and the actual implementation on scale is highly relevant to the journal. However, studies on new developments from either industry, research institutes or academia that have not yet been demonstrated on scale, but where an industrial utility can be expected and where the study has addressed important prerequisites for a scale-up and has given confidence into the reliability and practicality of the chemistry, also serve the mission of OPR&D as a communication tool between the different contributors to the field.