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Record W4416704692 · doi:10.1021/jasms.5c00155

ExD vs EThcD: What’s Better for the Direct Sequencing of Endogenous Amphibian Disulfide Peptides

2025· article· en· W4416704692 on OpenAlexaff
Dmitrii M. Mazur, Tatiana Yu. Samgina, Yury V. Vasil’ev, Michael Hare, Yinan Li, Аlbert T. Lebedev

Bibliographic record

VenueJournal of the American Society for Mass Spectrometry · 2025
Typearticle
Languageen
FieldImmunology and Microbiology
TopicAntimicrobial Peptides and Activities
Canadian institutionsIONICS Mass Spectrometry (Canada)
FundersLomonosov Moscow State University
KeywordsPeptideSequence (biology)DerivatizationDisulfide bondMass spectrometryTandem mass spectrometryPeptide sequence

Abstract

fetched live from OpenAlex

Intact amphibian skin peptides, apart from their intrinsic interest, are a challenging model system to demonstrate direct sequencing, avoiding any preliminary derivatization steps. They are relatively long (up to 46-mer), contain an intramolecular disulfide bridge, and include a number of isomeric Leu/Ile residues. Sixteen intact peptides from the skin secretion of the Rostov (Russia) population of Pelophylax ridibundus were studied in the present research using EThcD, ExD, and ExciD fragmentation. Comparison of the efficiency of EThcD and ExD tandem mass spectrometry approaches demonstrated that both are appropriate for the direct sequencing of these peptides. Although the majority of the isomeric Leu/Ile residues could be differentiated using w -ions, the usefulness of d -ions, especially inside C-terminal disulfide rings, was also demonstrated. The d -ions arise more often in ExD/ExciD than in the EThcD mode. EThcD and ExciD are complementary methods and together distinguished more isomeric residues than either of them alone. While both methods provided similar sequence information within intact C-terminal S–S loops, their combined use consistently yielded 100% sequence coverage. ExciD demonstrated superior results in determining peptide sequences due to the higher yield of all fragment ion types, establishing complete sequences for all peptides, including that of the longest (46-mer) esculentins, compared to six with EThcD alone. The increased number of characteristic ions ( c/z and b/y ) in ExciD further enhanced confidence in the sequence assignments. Ultimately, the complementary use of ExciD and EThcD resulted in reliable 100% sequence coverage for all 16 intact disulfide peptides analyzed in this study.

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)0.003
metaresearch head score (Gemma)0.002
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 score0.003
Threshold uncertainty score0.014

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0030.002
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.001
Science and technology studies0.0000.001
Scholarly communication0.0020.003
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0030.001

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 head0.020
GPT teacher head0.254
Teacher spread0.234 · 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

Citations2
Published2025
Admission routes1
Has abstractyes

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