Evidence map›Paper›PMID 35106974›Full record

ArticleAdvanced science (Weinheim, Baden-Wurttemberg, Germany)2022

Autonomous Multi-Step and Multi-Objective Optimization Facilitated by Real-Time Process Analytics.

Peter Sagmeister, Florian F Ort, Clemens E Jusner, Dominique Hebrault, Thomas Tampone, Frederic G Buono, Jason D Williams, C Oliver Kappe

Abstract read
In one paragraph

Article in Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.

0numbers the graph read from it
0cells of the map it votes in
16citing 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

16 citing papers in PubMed.

  1. Review
  2. Article
  3. Review
  4. Article
  5. Review
  6. Review
  7. Article
  8. IR-EcoSpectra: Exploring sustainableJournal of pharmaceutical analysis · 2024
    Review
  9. Article
  10. Article
  11. Bayesian Self-Optimization for Telescoped Continuous Flow Synthesis.Angewandte Chemie (International ed. in English) · 2023
    Article
  12. Article
  13. Article
  14. Article
  15. Article
  16. Article
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

8 authors.

Peter SagmeisterInstitute of Chemistry, University of Graz, NAWI Graz, Heinrichstrasse 28, Graz, 8010, Austria.ORCID 0000-0002-4326-1775
Florian F OrtInstitute of Chemistry, University of Graz, NAWI Graz, Heinrichstrasse 28, Graz, 8010, Austria.
Clemens E JusnerInstitute of Chemistry, University of Graz, NAWI Graz, Heinrichstrasse 28, Graz, 8010, Austria.ORCID 0000-0001-7528-5379
Dominique HebraultChemical Development US, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, Ridgefield, Connecticut, 06877, USA.
Thomas TamponeChemical Development US, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, Ridgefield, Connecticut, 06877, USA.
Frederic G BuonoChemical Development US, Boehringer Ingelheim Pharmaceuticals, Inc., 900 Ridgebury Road, Ridgefield, Connecticut, 06877, USA.ORCID 0000-0001-7585-0438
Jason D WilliamsInstitute of Chemistry, University of Graz, NAWI Graz, Heinrichstrasse 28, Graz, 8010, Austria.ORCID 0000-0001-5449-5094
C Oliver KappeInstitute of Chemistry, University of Graz, NAWI Graz, Heinrichstrasse 28, Graz, 8010, Austria.ORCID 0000-0003-2983-6007

Funding

Österreichische Forschungsförderungsgesellschaft 862766Styrian Funding Agency SFG 9003
6 · The paper itself

Abstract

Autonomous flow reactors are becoming increasingly utilized in the synthesis of organic compounds, yet the complexity of the chemical reactions and analytical methods remains limited. The development of a modular platform which uses rapid flow NMR and FTIR measurements, combined with chemometric modeling, is presented for efficient and timely analysis of reaction outcomes. This platform is tested with a four variable single-step reaction (nucleophilic aromatic substitution), to determine the most effective optimization methodology. The self-optimization approach with minimal background knowledge proves to provide the optimal reaction parameters within the shortest operational time. The chosen approach is then applied to a seven variable two-step optimization problem (imine formation and cyclization), for the synthesis of the active pharmaceutical ingredient edaravone. Despite the exponentially increased complexity of this optimization problem, the platform achieves excellent results in a relatively small number of iterations, leading to >95% solution yield of the intermediate and up to 5.42 kg L

Indexed as

Magnetic Resonance Spectroscopychemometricsdata-rich experimentationflow chemistrymachine learningorganic synthesisprocess analytical technologyself-optimization

Identifiers

PMID35106974
PMCPMC8981902

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

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.