A Practical Start-Up Guide for Synthetic Chemists to Implement Design of Experiments (DoE)

IF 11.3 1区化学 Q1 CHEMISTRY, PHYSICAL

ACS Catalysis Pub Date : 2025-05-12 DOI:10.1021/acscatal.5c01626

Brendan J. Wall, Mason T. Koeritz, Levi M. Stanley, Brett VanVeller

引用次数: 0

Abstract

Experimental design in the synthetic chemistry community primarily focuses on optimizing reaction conditions by modifying one variable at a time (OVAT). Design of Experiments (DoE) methodology, already commonplace in the chemical industry, captures optimal reaction conditions while shrinking the number of experiments required. Additionally, DoE can provide interaction effects between variables that are not captured in OVAT optimizations. Despite the cost- and time-saving benefits that DoE can provide, it has not been widely adopted by the academic community. This start-up guide is the first entry-level manual, designed for synthetic chemists, with worked examples for the practical implementation of DoE methodology in the context of synthetic method development.

Abstract Image

查看原文本刊更多论文

求助全文

约1分钟内获得全文求助全文

来源期刊

ACS Catalysis CHEMISTRY, PHYSICAL-

CiteScore

20.80

自引率

6.20%

发文量

1253

审稿时长

1.5 months

期刊介绍： ACS Catalysis is an esteemed journal that publishes original research in the fields of heterogeneous catalysis, molecular catalysis, and biocatalysis. It offers broad coverage across diverse areas such as life sciences, organometallics and synthesis, photochemistry and electrochemistry, drug discovery and synthesis, materials science, environmental protection, polymer discovery and synthesis, and energy and fuels. The scope of the journal is to showcase innovative work in various aspects of catalysis. This includes new reactions and novel synthetic approaches utilizing known catalysts, the discovery or modification of new catalysts, elucidation of catalytic mechanisms through cutting-edge investigations, practical enhancements of existing processes, as well as conceptual advances in the field. Contributions to ACS Catalysis can encompass both experimental and theoretical research focused on catalytic molecules, macromolecules, and materials that exhibit catalytic turnover.