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Record W4411044283 · doi:10.1039/d5sc02923f

A new P3N ligand for Pd-catalyzed cross-couplings in water

2025· article· en· W4411044283 on OpenAlexfundno aff
Erfan Oftadeh, Marco Ortiz, Kirubel Mamo, Eduam O. Boeira, Esveidy Oceguera Nava, Monica S. Lopez Lemus, Shili Fang, Donald H. Aue, Bruce H. Lipshutz

Bibliographic record

VenueChemical Science · 2025
Typearticle
Languageen
FieldChemistry
TopicCatalytic Cross-Coupling Reactions
Canadian institutionsnot available
FundersCalifornia NanoSystems InstituteDivision of ChemistryDivision of Materials ResearchMaterials Research Science and Engineering Center, Harvard UniversityChina Scholarship CouncilUniversity of California, Santa BarbaraUniversité de SherbrookeNational Science Foundation
KeywordsCatalysisLigand (biochemistry)ChemistryCombinatorial chemistryOrganic chemistryReceptorBiochemistry

Abstract

fetched live from OpenAlex

, in water containing micelles using the well-established and inexpensive anionic surfactant SDS. Comparisons are shown with several commonly used, representative ligands which, by contrast, are made typically in a number of steps that involve environmentally egregious conditions, and can typically be quite expensive. These issues can now be avoided for these very important reactions using this P3N ligand. Quantum calculations showed the conformational, steric, and electronic nature of P3N ligands and the energetics of their binding to Pd.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.005
Threshold uncertainty score0.520

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.011
GPT teacher head0.317
Teacher spread0.306 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations9
Published2025
Admission routes1
Has abstractyes

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