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Record W2105889079 · doi:10.1021/jp012335o

Collision-Induced Dissociation of the Ag<sup>+</sup>−Proline Complex:  Fragmentation Pathways and Reaction MechanismsA Synergy between Experiment and Theory

2001· article· en· W2105889079 on OpenAlexaff
Tamer Shoeib, Alan C. Hopkinson, K. W. Michael Siu

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2001
Typearticle
Languageen
FieldChemistry
TopicMass Spectrometry Techniques and Applications
Canadian institutionsYork University
Fundersnot available
KeywordsChemistryCollision-induced dissociationFragmentation (computing)Dissociation (chemistry)IonTandem mass spectrometryDeuteriumTandemProlineMass spectrometryDensity functional theoryMoleculeComputational chemistryPhysical chemistryOrganic chemistryChromatographyAtomic physicsAmino acidMaterials science

Abstract

fetched live from OpenAlex

Gas-phase collision-induced dissociation of the Ag + -proline complex shows six major product ions. Tandem mass spectrometry reveals that at least three of the fragment ions are formed directly from the complex. These are a cyclic immonium ion, formed after elimination of AgH from the Ag + -proline complex, another cyclic immonium ion formed after the elimination of both AgH and CO 2, and finally an ion formed as the product of a reductive-elimination reaction in which H 2 is lost as a neutral. Selective and nonselective deuterium labeling experiments and hybrid density functional calculations have been employed to probe fragmentation mechanisms that account for all experimental results. The mechanisms for the competitive losses of AgH and H 2 from the Ag + -proline complex have been calculated at B3LYP/DZVP.

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 score0.017
Threshold uncertainty score0.311

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 head0.019
GPT teacher head0.270
Teacher spread0.251 · 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

Citations52
Published2001
Admission routes1
Has abstractyes

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