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Record W6922027061 · doi:10.1021/jo049254j.s001

Abnormal Solvent Effects on Hydrogen Atom Abstraction. 2.\nResolution of the Curcumin Antioxidant Controversy. The Role of\nSequential Proton Loss Electron Transfer

2016· article· en· W6922027061 on OpenAlexaff

Bibliographic record

VenueFigshare · 2016
Typearticle
Languageen
FieldComputer Science
TopicImage Processing and 3D Reconstruction
Canadian institutionsNational Research Council Canada
Fundersnot available
KeywordsMoietyRadicalHydrogen atomMethanolSolventElectron transferRadical ionHomolysisProtonAcetic acid

Abstract

fetched live from OpenAlex

The rates of reaction of 1,1-diphenyl-2-picrylhydrazyl (<b>dpph</b><b><sup>•</sup></b><sup></sup>) radicals with curcumin\n(<b>CU</b>, 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione), dehydrozingerone (<b>DHZ</b>, “half-curcumin”), and isoeugenol (<b>IE</b>) have been measured in methanol and ethanol and in two non-hydroxylic solvents, dioxane and ethyl acetate, which have about the same hydrogen-bond-accepting\nabilities as the alcohols. The reactions of all three substrates are orders of magnitude faster in the\nalcohols, but these high rates can be suppressed to values essentially equal to those in the two\nnon-hydroxylic solvents by the addition of acetic acid. The fast reactions in alcohols are attributed\nto the reaction of <b>dpph</b><b><sup>•</sup></b><sup></sup> with the <b>CU</b>, <b>DHZ</b>, and <b>IE</b> <i>anions</i> (see <i>J. Org. Chem</i>. <b>2003</b>, <i>68</i>, 3433), a\nprocess which we herein name sequential proton loss electron transfer (SPLET). The most acidic\ngroup in <b>CU</b> is the central keto−enol moiety. Following <b>CU</b>'s ionization to a monoanion, ET from\nthe [−(O)CCHC(O)−]<sup>-</sup> moiety to <b>dpph</b><b><sup>•</sup></b><sup></sup> yields the neutral [−(O)CCHC(O)−]<sup>•</sup> radical moiety which\nwill be strongly electron withdrawing. Consequently, a phenolic proton is quickly lost into the alcohol\nsolvent. The phenoxide anion so formed undergoes charge migration to produce a neutral phenoxyl\nradical and the keto−enol anion, i.e., the same product as would be formed by a hydrogen atom\ntransfer (HAT) from the phenolic group of the <b>CU</b> monoanion. The SPLET process cannot occur in\na nonionizing solvent. The controversy as to whether the central keto−enol moiety or the peripheral\nphenolic hydroxyl groups of <b>CU</b> are involved in its radical trapping (antioxidant) activity is therefore\nresolved. In ionizing solvents, electron-deficient radicals will react with <b>CU</b> by a rapid SPLET\nprocess but in nonionizing solvents, or in the presence of acid, they will react by a slower HAT\nprocess involving one of the phenolic hydroxyl groups.

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)0.000
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 score0.188
Threshold uncertainty score0.358

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
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 head0.006
GPT teacher head0.210
Teacher spread0.203 · 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

Citations0
Published2016
Admission routes1
Has abstractyes

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