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Discovery of EDA-Complex Photochemical Reactions Using Computational Vision

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Author(s):
Silva, Rodrigo C. ; Batista, Gabriel M. F. ; Brocksom, Timothy J. ; de Oliveira, Kleber T.
Total Authors: 4
Document type: Journal article
Source: ADVANCED SYNTHESIS & CATALYSIS; v. N/A, p. 10-pg., 2024-11-20.
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%. (AU)

FAPESP's process: 18/00879-6 - Arylation reactions of heterocycles photocatalysed by porphyrins in both batch and continuous flow conditions.
Grantee:Rodrigo Costa e Silva
Support Opportunities: Scholarships in Brazil - Doctorate
FAPESP's process: 23/04020-8 - APIs synthesis using enabling technologies: approaches involving electrosynthesis and photocatalysis under continuous flow conditions
Grantee:Kleber Thiago de Oliveira
Support Opportunities: Regular Research Grants
FAPESP's process: 19/27176-8 - Asymmetric photocatalysis applied to the synthesis of Brivaracetam: synthetic approaches employing enabling technologies for chemical synthesis
Grantee:Kleber Thiago de Oliveira
Support Opportunities: Regular Research Grants
FAPESP's process: 13/07276-1 - CEPOF - Optics and Photonic Research Center
Grantee:Vanderlei Salvador Bagnato
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
FAPESP's process: 20/06874-6 - Applications of technologies and synthetic methodologies developed under continuous flow conditions at LQBO-UFSCar for the preparation of molecules with biological activities and APIs
Grantee:Kleber Thiago de Oliveira
Support Opportunities: Regular Research Grants