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Record W4408340050 · doi:10.1021/acs.cgd.4c01532

A Bis-Imidazolium Receptor for the Selective Crystallization of Fluoride through Hydrogen Bonding

2025· article· en· W4408340050 on OpenAlexfundno aff
Lili Jin, Yuntao Lei, Anthony Dodd, Peter Nockemann, H. Q. Nimal Gunaratne

Bibliographic record

VenueCrystal Growth & Design · 2025
Typearticle
Languageen
FieldPharmacology, Toxicology and Pharmaceutics
TopicFluorine in Organic Chemistry
Canadian institutionsnot available
FundersQueen's UniversityQueen's University Belfast
KeywordsHydrogen bondCrystallizationFluorideChemistryHydrogen fluorideCombinatorial chemistryPolymer chemistryOrganic chemistryInorganic chemistryMolecule

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Selective recognition and separation of fluoride anions from other halides remain significant challenges in supramolecular chemistry due to the similar physicochemical properties of halide ions and the environmental concerns associated with fluoride contamination. We report a simple dicationic bis-imidazolium receptor with hydroxyethyl pendants that selectively binds fluoride ions over other halides through a selective “bidentate” hydrogen bonding mechanism involving C2–H···F – and O–H···F – interactions. This unique binding mode facilitates the crystallization of a fluoride complex from polar solvents containing chloride, bromide, or iodide ions. Despite minimal preorganization, the receptor exhibits size-matched binding pockets that selectively accommodate fluoride ions, enabling their separation from equimolar halide mixtures. This work introduces a new approach to fluoride recognition and offers potential applications in environmental remediation and industrial processes.

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)0.001
metaresearch head score (Gemma)0.001
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: none
Teacher disagreement score0.806
Threshold uncertainty score0.969

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
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 integrity0.0000.000
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 head0.081
GPT teacher head0.386
Teacher spread0.306 · 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

Citations2
Published2025
Admission routes1
Has abstractyes

Explore more

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