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Record W2901045930 · doi:10.1021/acs.jchemed.8b00578

Comparing Industrial Amination Reactions in a Combined Class and Laboratory Green Chemistry Assignment

2018· article· en· W2901045930 on OpenAlexaff
Nimrat K. Obhi, Ian Mallov, Nadine Borduas‐Dedekind, Sophie A. L. Rousseaux, Andrew P. Dicks

Bibliographic record

VenueJournal of Chemical Education · 2018
Typearticle
Languageen
FieldEnvironmental Science
TopicChemistry and Chemical Engineering
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsNucleophilic aromatic substitutionAminationChemistryContext (archaeology)Green chemistryReagentNucleophilic substitutionBenzonitrileCombinatorial chemistryOrganic chemistryBiochemical engineeringMoleculeEngineering

Abstract

fetched live from OpenAlex

This article describes a comparative assignment developed for a third-year undergraduate organic synthesis course involving a combined laboratory experiment and class exercise. In this assignment, students compare the sustainability of two industrial amination reactions to form the same target molecule (4-( n- hexylamino)benzonitrile): a nucleophilic aromatic substitution procedure (S N Ar) provided in the class exercise, and a Buchwald–Hartwig (B–H) amination procedure completed in the laboratory. The assignment is structured using a “case-study” format to provide appropriate context. Students use industrial solvent and reagent substitution guides, complete process mass intensity calculations, and apply the Twelve Principles of Green Chemistry to compare and contrast the S N Ar and B–H reactions. They finally recommend a preferred reaction procedure after considering multiple sustainability concepts in their analyses. The assignment is highly adaptable as different industry guides may be used and the S N Ar reaction procedure is easily modified. Ultimately, students learn to apply sustainable chemistry principles to industrially relevant reactions, an important skill for their future careers.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.005
metaresearch head score (Gemma)0.011
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.016
Threshold uncertainty score0.053

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0050.011
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0020.001
Scholarly communication0.0020.001
Open science0.0030.003
Research integrity0.0020.002
Insufficient payload (model declined to judge)0.0160.004

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 head0.232
Teacher spread0.220 · 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 source (direct Gemma or distilled Codex), 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

Citations21
Published2018
Admission routes1
Has abstractyes

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