ArticleScientific reports2019
High Throughput Experimentation Using DESI-MS to Guide Continuous-Flow Synthesis.
Article in Scientific reports, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- High-Throughput Reactive Desorption Electrospray Ionization Mass Spectrometry for Targeted Derivatization and Analysis of Poorly Ionized Small Molecules.Analytical chemistry · 2026Article
- Early-stage drug discovery in a new-generation ultrahigh-throughput mass spectrometry platform.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Direct analysis of biotransformations with mass spectrometry-DiBT-MS.Nature protocols · 2025Review
- Recent Developments in Mass Spectrometry to Support Next-Generation Synthesis and Screening.ACS medicinal chemistry letters · 2023Review
- Accelerated and Concerted Aza-Michael Addition and SuFEx Reaction in Microdroplets in Unitary and High-Throughput Formats.Angewandte Chemie (International ed. in English) · 2022Article
- Continuous Flow Synthesis of A2E Guided by Design of Experiments and High-Throughput Studies.ACS bio & med chem Au · 2022Article
- Spontaneous Water Radical Cation Oxidation at Double Bonds in Microdroplets.Frontiers in chemistry · 2022Article
- Rapid cyclic ion mobility separations of monosaccharide building blocks as a first step toward a high-throughput reaction screening platform for carbohydrate syntheses.RSC advances · 2021Article
- Advancement in Organic Synthesis through High Throughput Experimentation.Chemistry methods : new approaches to solving problems in chemistry · 2021Article
- Recent advances in analytical techniques for high throughput experimentation.Analytical science advances · 2021Review
- High-Throughput Experimentation and Continuous Flow Evaluation of Nucleophilic Aromatic Substitution Reactions.ACS combinatorial science · 2020Article
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Authors and funding
9 authors.
Funding
Abstract
We demonstrate the use of accelerated reactions with desorption electrospray ionization mass spectrometry (DESI-MS) as a tool for predicting the outcome of microfluidic reactions. DESI-MS was employed as a high throughput experimentation tool to provide qualitative predictions of reaction outcomes, so that vast regions of chemical reactivity space may be more rapidly explored and areas of optimal efficiency identified. This work is part of a larger effort to accelerate reaction optimization to enable the rapid development of continuous-flow syntheses of small molecules in high yield. In order to build confidence in this approach, however, it is necessary to establish a robust predictive connection between reactions performed under analogous DESI-MS, batch, and microfluidic reaction conditions. In the present work, we explore the potential of high throughput DESI-MS experiments to identify trends in reactivity based on chemical structure, solvent, temperature, and stoichiometry that are consistent across these platforms. N-alkylation reactions were used as the test case due to their ease of reactant and product detection by electrospray ionization mass spectrometry (ESI-MS) and their great importance in API synthesis. While DESI-MS narrowed the scope of possibilities for reaction selection among some parameters such as solvent, others like stoichiometry and temperature still required further optimization under continuous synthesis conditions. DESI-MS high throughput experimentation (HTE) reaction evaluation significantly reduced the search space for flow chemistry optimization, thus representing a significant savings in time and materials to achieve a desired transformation with high efficiency.
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Registered trials
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