Customize Consent Preferences

We use cookies to help you navigate efficiently and perform certain functions. You will find detailed information about all cookies under each consent category below.

The cookies that are categorized as "Necessary" are stored on your browser as they are essential for enabling the basic functionalities of the site. ... 

Always Active

Necessary cookies are required to enable the basic features of this site, such as providing secure log-in or adjusting your consent preferences. These cookies do not store any personally identifiable data.

No cookies to display.

Functional cookies help perform certain functionalities like sharing the content of the website on social media platforms, collecting feedback, and other third-party features.

No cookies to display.

Analytical cookies are used to understand how visitors interact with the website. These cookies help provide information on metrics such as the number of visitors, bounce rate, traffic source, etc.

No cookies to display.

Performance cookies are used to understand and analyze the key performance indexes of the website which helps in delivering a better user experience for the visitors.

No cookies to display.

Advertisement cookies are used to provide visitors with customized advertisements based on the pages you visited previously and to analyze the effectiveness of the ad campaigns.

No cookies to display.

0

化学合成加速器:浙大、之江实验室打造全自动高通量AI「机器人」

引言

有机合成,化学领域的基础,却往往受限于繁琐的实验流程和漫长的反应时间。一个熟练的有机合成人员每天最多只能完成十个反应,而优化和筛选反应条件则需要更长的时间和精力。如今,浙江大学和之江实验室的研究团队开发了一种全自动集成系统,将化学合成速度提升至前所未有的水平,每天可完成高达一万个反应的筛选,为化学研究打开了新的大门。

几秒钟完成反应,一天筛选上万个条件

该系统融合了液芯波导(LCW)、微流控液体处理和人工智能技术,将传统有机合成中耗时的步骤压缩至几秒钟。LCW 技术将高强度激光引入微流控通道,显著提高了光催化反应速度,将反应时间从数小时缩短至几秒钟。例如,在典型的光催化[2+2]环加成反应中,该系统仅需3.3秒即可完成反应,而传统方法则需要4个小时。

为了与快速反应速度相匹配,该系统还配备了在线表征技术,可在0.1秒内完成反应溶液的紫外-可见光谱分析。这使得研究人员能够快速获取反应数据,并进行高通量筛选。

AI助力,突破数据瓶颈

该系统不仅能够快速完成反应,还能利用人工智能技术对海量数据进行分析和预测。研究人员开发了AI辅助吸光度预测方法,通过分析流体和分子扩散效应,将相邻反应溶液的非稳态数据解耦,预测各自反应溶液对应的稳态吸光度数据。

通过对12,000个反应条件的分析,研究人员发现,XGB回归模型在预测稳态吸光度数据方面表现最佳,其RMSE最小,R^2最大,表明该模型能够准确预测反应结果。

未来展望

该全自动高通量AI「机器人」系统为化学合成领域带来了革命性的变化。它不仅能够加速化学反应,还能帮助研究人员更有效地探索未知的化学空间,促进新材料、新药物的发现和开发。

参考文献

  • Roboticized AI-assisted microfluidic photocatalytic synthesis and screening up to10,000 reactions per day. Nature Communications, 2024.

结语

该研究成果标志着化学合成领域迈向自动化、智能化的新时代。随着人工智能技术的不断发展,未来化学合成将更加高效、便捷,为人类社会带来更多福祉。


>>> Read more <<<

Views: 0

0

发表回复

您的邮箱地址不会被公开。 必填项已用 * 标注