Evidence map›Paper›PMID 36844483›Full record

ArticleACS central science2023

High-Throughput Experimentation, Theoretical Modeling, and Human Intuition: Lessons Learned in Metal-Organic-Framework-Supported Catalyst Design.

Katherine E McCullough, Daniel S King, Saumil P Chheda, Magali S Ferrandon, Timothy A Goetjen, Zoha H Syed, Trent R Graham, Nancy M Washton, Omar K Farha, Laura Gagliardi and 1 more

Abstract read
In one paragraph

Article in ACS central science, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing 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

7 citing papers in PubMed.

  1. Article
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  3. Review
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  6. Review
  7. 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

11 authors.

Katherine E McCulloughChemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois60439, United States.
Daniel S KingDepartment of Chemistry, University of Chicago, Chicago, Illinois60637, United States.
Saumil P ChhedaDepartment of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota55455, United States.ORCID https://orcid.org/0000-0002-0989-5707
Magali S FerrandonChemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois60439, United States.
Timothy A GoetjenDepartment of Chemistry, Northwestern University, Evanston, Illinois60208, United States.ORCID https://orcid.org/0000-0001-8023-9107
Zoha H SyedChemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois60439, United States.ORCID https://orcid.org/0000-0002-0074-2253
Trent R GrahamPacific Northwest National Laboratory, Richland, Washington99354, United States.ORCID https://orcid.org/0000-0001-8907-8004
Nancy M WashtonPacific Northwest National Laboratory, Richland, Washington99354, United States.ORCID https://orcid.org/0000-0002-9643-6794
Omar K FarhaDepartment of Chemistry, Northwestern University, Evanston, Illinois60208, United States.ORCID https://orcid.org/0000-0002-9904-9845
Laura GagliardiDepartment of Chemistry, University of Chicago, Chicago, Illinois60637, United States.ORCID https://orcid.org/0000-0001-5227-1396
Massimiliano DelferroChemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois60439, United States.ORCID https://orcid.org/0000-0002-4443-165X

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We have screened an array of 23 metals deposited onto the metal-organic framework (MOF) NU-1000 for propyne dimerization to hexadienes. By a first-of-its-kind study utilizing data-driven algorithms and high-throughput experimentation (HTE) in MOF catalysis, yields on Cu-deposited NU-1000 were improved from 0.4 to 24.4%. Characterization of the best-performing catalysts reveal conversion to hexadiene to be due to the formation of large Cu nanoparticles, which is further supported by reaction mechanisms calculated with density functional theory (DFT). Our results demonstrate both the strengths and weaknesses of the HTE approach. As a strength, HTE excels at being able to find interesting and novel catalytic activity; any

Identifiers

PMID36844483
PMCPMC9951283

What OpenQuestion holds

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LicenceCC BY
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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.