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Record W2005160642 · doi:10.1021/ja036998q

Bioactive Recognition Sites May Not Be Energetically Preferred in Protein−Carbohydrate Complexes in the Gas Phase

2003· article· en· W2005160642 on OpenAlexaff
Weijie Wang, Elena N. Kitova, John S. Klassen

Bibliographic record

VenueJournal of the American Chemical Society · 2003
Typearticle
Languageen
FieldChemistry
TopicMass Spectrometry Techniques and Applications
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsChemistryDissociation (chemistry)ProtonationGas phaseMolecular recognitionSolid-stateInfrared spectroscopyInfrared multiphoton dissociationStereochemistryCrystallographyComputational chemistryChemical physicsMoleculePhysical chemistryOrganic chemistryIon

Abstract

fetched live from OpenAlex

Arrhenius parameters, obtained with the blackbody infrared radiative dissociation technique, are reported for the dissociation of a gaseous protonated complex of an antibody single chain fragment and its native trisaccharide antigen originating from nonspecific interactions during the nanoelectrospray process. It is shown that the nonspecific complex is kinetically more stable and, at the +10 charge state, energetically more stable than the corresponding specific complex originating from interactions in solution. This is the first demonstration that a bioactive recognition site is not energetically preferred in a protein-ligand complex in the gas phase.

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 score0.006
Threshold uncertainty score0.369

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.030
GPT teacher head0.297
Teacher spread0.267 · 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

Citations34
Published2003
Admission routes1
Has abstractyes

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