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Record W4383821380 · doi:10.26434/chemrxiv-2023-4hn6k

A ‘glyco-fluorine’ code revealing differential recognition by glycan binding partners

2023· preprint· en· W4383821380 on OpenAlexaff
Kristian Hollingsworth, Antonio Di Maio, Sarah‐Jane Richards, Jean-Baptiste Vendeville, David E. Wheatley, Claire E. Council, Tessa Keenan, Hélène Ledru, Harriet S. Chidwick, Kun Huang, Fabio Parmeggiani, Andrea Marchesi, Wengang Chai, Ryan McBerney, Tomasz P. Kamiński, Matthew Balmforth, Alexandra Tamasanu, Simon J. Charnock, Stuart L. Warriner, Michael E. Webb, Martin A. Fascione, Sabine L. Flitsch, M. Carmen Galán, Ten Feizi, Matthew I. Gibson, Yan Liu, W. Bruce Turnbull, Bruno Linclau

Bibliographic record

VenueChemRxiv · 2023
Typepreprint
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicGlycosylation and Glycoproteins Research
Canadian institutionsYork University
FundersBiotechnology and Biological Sciences Research CouncilEngineering and Physical Sciences Research CouncilImperial College LondonWellcome TrustMarch of Dimes Foundation
KeywordsGlycanChemistryLigand (biochemistry)Binding siteBiochemistryPlasma protein bindingMicroarrayComputational biologyCombinatorial chemistryGlycoproteinBiologyGeneReceptor

Abstract

fetched live from OpenAlex

Biosensing or diagnostics using glycan sequences as targets is limited by glycan cross-reactivities. As binding sites of different proteins that all recognise a given glycan will not be identical, we introduce application of a library of synthetic analogues of a single glycan ligand as a powerful approach to obtain fingerprint binding profiles. We report the enzymatic synthesis of a 150-member library of fluorinated Lewisx analogues (‘glycofluoroforms’) using naturally occurring enzymes and fluorinated monosaccharide building blocks, and the incorporation of a subset into lipid-linked glycan probes or into glyconanoparticles for probing protein binding both in solid-phase high-throughput glycan microarray screening analyses and in solution-phase nanoparticle-based interaction studies. These fluorinated Lewisx analogues, which NMR studies showed to have very similar 3D structures compared to the nonfluorinated Lewisx, gave variously increased or decreased binding with a set of proteins, the different proteins having different preferences and tolerances for binding.

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 score0.002
Threshold uncertainty score0.008

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)0.0020.000

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 head0.070
GPT teacher head0.342
Teacher spread0.272 · 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
Published2023
Admission routes1
Has abstractyes

Explore more

Same venueChemRxiv→Same topicGlycosylation and Glycoproteins Research→French-language works237,207→