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Record W4411037438 · doi:10.1021/jasms.4c00489

Development and Characterization of a Fluorinated MS-Cleavable Cross-Linker for Structural Proteomics

2025· article· en· W4411037438 on OpenAlexaff
Sorokin Av, Frank Hause, Christian Ihling, Tomáš Vranka, Václav Matoušek, Andrea Sinz

Bibliographic record

VenueJournal of the American Society for Mass Spectrometry · 2025
Typearticle
Languageen
FieldChemistry
TopicAdvanced Proteomics Techniques and Applications
Canadian institutionsIONICS Mass Spectrometry (Canada)
FundersMartin-Luther-Universität Halle-WittenbergBundesministerium für Wirtschaft und EnergieDeutsche Forschungsgemeinschaft
KeywordsChemistryProteomicsLinkerCharacterization (materials science)Mass spectrometryComputational biologyNanotechnologyCombinatorial chemistryChromatographyBiochemistry

Abstract

fetched live from OpenAlex

Cross-linking mass spectrometry (XL-MS) is an important method for studying three-dimensional protein structures and mapping protein-protein interactions. Some limitations of XL-MS still consist of its use for in-cell and in vivo applications. To date, cross-linking reagents are urgently needed that can efficiently penetrate the cell membrane to comprehensively map protein-protein interaction networks in intact cells. In this study, the fluorinated MS-cleavable cross-linker bis(pentafluorophenyl) ureido-4,4'-dibutyrate (DPFU) is described. DPFU is based on the MS-cleavable cross-linker disuccinimidyl dibutyric urea (DSBU) with the aim of balancing the hydrophobicity and solubility to improve membrane permeability. DPFU was evaluated for its solubility behavior in different detergent solutions to optimize conditions for its potential application in live cells. Using bovine serum albumin (BSA) as a model protein, XL-MS experiments were conducted across different temperatures and cross-linker concentrations. Solubility assays identified sodium dodecyl sulfate (SDS) as effective for enhancing DPFU solubility in an aqueous environment. DPFU yielded fewer cross-links for BSA than DSBU, highlighting limitations regarding its cross-linking efficiency under similar experimental conditions. This study provides the first insights into fluorinated cross-linkers, suggesting that further optimization is needed for a broader application of DPFU for future in-cell XL-MS studies.

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 score0.003

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 integrity0.0000.000
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 head0.010
GPT teacher head0.294
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

Citations3
Published2025
Admission routes1
Has abstractyes

Explore more

Same venueJournal of the American Society for Mass SpectrometrySame topicAdvanced Proteomics Techniques and ApplicationsFrench-language works237,207