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Record W2010919851 · doi:10.1139/v05-019

Kinetic and spectroscopic studies on α- and β-cyclodextrin rotaxanes with (µ-<i>N</i>,<i>N</i>′- bis(4-pyridinylmethylene)-α,ω-alkanediimine)bis[pentacyanoferrate(II)] threads

2005· article· en· W2010919851 on OpenAlexvenueno aff
Victor X. Jin, Donal H. Macartney, Erwin Buncel

Bibliographic record

VenueCanadian Journal of Chemistry · 2005
Typearticle
Languageen
FieldChemistry
TopicSupramolecular Chemistry and Complexes
Canadian institutionsnot available
Fundersnot available
KeywordsChemistryRotaxaneReaction rate constantDimerCyclodextrinDissociation (chemistry)CrystallographyLigand (biochemistry)LabilityStereochemistryMedicinal chemistryKineticsTitrationSupramolecular chemistryInorganic chemistryPhysical chemistryCrystal structureOrganic chemistry

Abstract

fetched live from OpenAlex

[2]Pseudorotaxanes have been prepared by threading N,N′-bis(4-pyridinylmethylene)-1,2-ethanediimine (L2), -1,4-butanediimine (L4), and -1,6-hexanediimine (L6) ligands through α-cyclodextrin (α-CD) and β-cyclodextrin (β-CD), and have subsequently been converted to the corresponding [2]rotaxane species by coordinating bulky [Fe(CN) 5 ] 3– end groups. The stability constants for the [2]pseudorotaxanes were determined by 1 H NMR chemical shift titrations and increase with the polymethylene chain length n. The rate constants for both the formation of the [Fe(CN) 5 (Ln)] 3– complexes from the [Fe(CN) 5 OH 2 ] 3– ion and Ln, and the rate constants for the dissociation of Ln from the metal complexes, exhibit significant diminutions in the presence of α- and β-CD, owing to inclusions of the free and coordinated ligands, respectively. The lability of the iron(II)–pyridine bonds also permits the spontaneous self-assembly of the [2]rotaxane upon the addition of cyclodextrin to the iron dimer complexes. The mechanism for this process involves the rate-determining dissociation of a [Fe(CN) 5 ] 3– unit from [(NC) 5 Fe(Ln)Fe(CN) 5 ] 6– , followed by CD inclusion of the Ln ligand to form a semirotaxane, and subsequent recomplexation by the [Fe(CN) 5 OH 2 ] 3– ion. Key words: cyclodextrins, rotaxanes, pentacyanoferrate(II), ligand substitution, kinetics.

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 categoriesMeta-epidemiology (narrow)
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 score0.021
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
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 head0.016
GPT teacher head0.236
Teacher spread0.219 · 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.

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

Citations7
Published2005
Admission routes1
Has abstractyes

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