Evidence map›Paper›PMID 39561979›Full record

ArticleJournal of the American Chemical Society2024

Rapid Exploration of Chemical Space by High-Throughput Desorption Electrospray Ionization Mass Spectrometry.

Kai-Hung Huang, Nicolás M Morato, Yunfei Feng, Alexis Toney, R Graham Cooks

Abstract read
In one paragraph

Article in Journal of the American Chemical Society, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.

0numbers the graph read from it
0cells of the map it votes in
17citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

17 citing papers in PubMed.

  1. Review
  2. Accelerated Chemistry in Microdroplets.Accounts of chemical research · 2026
    Article
  3. Article
  4. Generalized Analysis of Electrophilic Small Molecules.Angewandte Chemie (International ed. in English) · 2026
    Article
  5. Article
  6. 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 · 2026
    Article
  7. Article
  8. Article
  9. Accelerated and Green Synthesis ofJournal of the American Chemical Society · 2026
    Article
  10. Ambient ionization mass spectrometry in brain cancer diagnosis.Journal of mass spectrometry and advances in the clinical lab · 2025
    Review
  11. Article
  12. Advancing Organic Chemistry Using High-Throughput Experimentation.Angewandte Chemie (International ed. in English) · 2025
    Review
  13. Review
  14. Article
  15. Accelerating countermeasure candidate discovery for A-series chemical warfare agent exposure.Proceedings of the National Academy of Sciences of the United States of America · 2025
    Article
  16. Article
  17. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Kai-Hung HuangDepartment of Chemistry, Purdue University, West Lafayette, Indiana 47907, United States.
Nicolás M MoratoDepartment of Chemistry, Purdue University, West Lafayette, Indiana 47907, United States.ORCID 0000-0003-0218-407X
Yunfei FengDepartment of Chemistry, Purdue University, West Lafayette, Indiana 47907, United States.
Alexis ToneyDepartment of Chemistry, Purdue University, West Lafayette, Indiana 47907, United States.
R Graham CooksDepartment of Chemistry, Purdue University, West Lafayette, Indiana 47907, United States.ORCID 0000-0002-9581-9603

Funding

High throughput infrastructure for reaction screening and bioassaysUH3TR004139 · NCATS · PURDUE UNIVERSITY · PI Robert Graham Cooks · 2024 to 2026
$4.1M
High throughput infrastructure for reaction screening and bioassaysUG3TR004139 · NCATS · PURDUE UNIVERSITY · PI COOKS, ROBERT GRAHAM · 2022 to 2023
$1.8M
NCATS NIH HHS UG3 TR004139NCATS NIH HHS UH3 TR004139
6 · The paper itself

Abstract

This study leverages accelerated reactions at the solution/air interface of microdroplets generated by desorption electrospray ionization (DESI) to explore the chemical space. DESI is utilized to synthesize drug analogs at an overall rate of 1 reaction mixture per second, working on the low-nanogram scale. Transformations of multiple drug molecules at specific functionalities (phenol, hydroxyl, amino, carbonyl, phenyl, thiophenyl, and alkenyl) are achieved using electrophilic/nucleophilic, redox, C-H functionalization, and coupling reactions. These transformations occur under ambient conditions on the millisecond time scale with direct detection of products being successful in all but three of the reaction types studied. The large scope (22 bioactive compounds, >20 chemical transformations, and >300 functionalization reagents) and high speed (>3000 reactions/hour) provide access to a wide array of drug analogs that can be used for bioactivity testing. A total of ∼6800 unique reactions were examined through a data-driven workflow, and more than 3000 unique derivatives (∼44%) were identified tentatively by the

Identifiers

PMID39561979
PMCPMC11622223

What OpenQuestion holds

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LicenceCC BY-NC-ND
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.