Discovery of EDA-Complex Photochemical Reactions Using Computational Vision

IF 4.4 2区化学 Q2 CHEMISTRY, APPLIED

Advanced Synthesis & Catalysis Pub Date : 2024-10-29 DOI:10.1002/adsc.202401045

Rodrigo Costa, Gabriel M. F. Batista, Timothy J Brocksom, Kleber de Oliveira

引用次数: 0

Abstract

Herein, we report a multidimensional screening strategy to discover Electron Donor-Acceptor (EDA) complex photochemical reactions using only simple photographic devices, such as webcams or cellphones, combined with TLC analysis. An algorithm was designed to automatically identify EDA-complex reactive mixtures in solution by processing digital images from a 96-well microplate, alongside TLC results. The code detects the absorption region of the mixture in the visible spectrum and quantifies color changes through grayscale values. Integrated automatic TLC analysis further classifies mixtures as colorimetric reactions, non-reactive, or potentially reactive EDA complexes. Leveraging this screening platform, we have developed a new EDA-mediated approach to synthesize iminophosphoranes in yields up to 90%.

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利用计算视觉发现 EDA 复合光化学反应

在此，我们报告了一种多维筛选策略，只需使用简单的照相设备（如网络摄像头或手机），结合 TLC 分析，即可发现电子供体-受体（EDA）复杂的光化学反应。我们设计了一种算法，通过处理来自 96 孔微孔板的数字图像和 TLC 结果，自动识别溶液中的 EDA 复合反应混合物。代码检测混合物在可见光谱中的吸收区域，并通过灰度值量化颜色变化。集成的自动 TLC 分析可进一步将混合物分类为比色反应、非反应或潜在反应的 EDA 复合物。利用这一筛选平台，我们开发出了一种以 EDA 为媒介的新方法，可以合成产率高达 90% 的亚氨基磷烷。

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

Advanced Synthesis & Catalysis 化学-应用化学

CiteScore

9.40

自引率

7.40%

发文量

447

审稿时长

1.8 months

期刊介绍： Advanced Synthesis & Catalysis (ASC) is the leading primary journal in organic, organometallic, and applied chemistry. The high impact of ASC can be attributed to the unique focus of the journal, which publishes exciting new results from academic and industrial labs on efficient, practical, and environmentally friendly organic synthesis. While homogeneous, heterogeneous, organic, and enzyme catalysis are key technologies to achieve green synthesis, significant contributions to the same goal by synthesis design, reaction techniques, flow chemistry, and continuous processing, multiphase catalysis, green solvents, catalyst immobilization, and recycling, separation science, and process development are also featured in ASC. The Aims and Scope can be found in the Notice to Authors or on the first page of the table of contents in every issue.