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Record W4403736432 · doi:10.26434/chemrxiv-2024-3svw7

Differentiation of Repeat Phosphopeptide Isomers Through Metal Interactions in FAIMS

2024· preprint· en· W4403736432 on OpenAlexaff
Sinduri Vuppala, J. Larry Campbell, Theresa Evans‐Nguyen

Bibliographic record

VenueChemRxiv · 2024
Typepreprint
Languageen
FieldMedicine
TopicPeptidase Inhibition and Analysis
Canadian institutionsUniversity of Waterloo
Fundersnot available
KeywordsPhosphopeptideChemistryComputer scienceBiochemistryPhosphorylation

Abstract

fetched live from OpenAlex

Phosphorylation regulates RNA polymerase II (RNAPII) to transcribe RNA from DNA but remains challenging to study by standard liquid chromatography followed by electrospray ionized-mass spectrometry (LC/ESI-MS) and fragmentation studies. To this end, we employed field asymmetric waveform ion mobility spectrometry (FAIMS) to explore metal-phosphorylation adduction to facilitate the analysis of variants. We analyzed phosphoisomers inspired by RNAPII C-terminal domain (CTD) heptads YSPTSPS, indistinguishable by collision-induced dissociation. The modulation of the carrier gas with solvent modifier provided partial differentiation of gas-phase metal-peptide adducts. During the compensation voltage scan with increasing dispersion voltage, alkali metal-doped phosphoheptad isomers showed selective elution. As per PM7 models, isomers may cluster/decluster with alkali ion/methanol with different bond energies due to the varied phosphosites. These conditions were successfully applicable to biologically significant modified tryptic diheptads. Translation of such methods might allow the detection of phosphosites in finding disease-causing mutations or aid targeted therapeutics development.

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)0.000
metaresearch head score (Gemma)0.000
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: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.001
Threshold uncertainty score0.005

Distilled classifier scores by category (both heads)

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 integrity0.0000.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.032
GPT teacher head0.317
Teacher spread0.285 · 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

Citations0
Published2024
Admission routes1
Has abstractyes

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