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Record W3184504631 · doi:10.1021/acs.inorgchem.1c01412

H<sub>2</sub>pyhox – Octadentate Bis(pyridyloxine)

2021· article· en· W3184504631 on OpenAlexafffund
Lily Southcott, Xiaozhu Wang, Neha Choudhary, Luke Wharton, Brian O. Patrick, Hua Yang, Kristof Zarschler, Manja Kubeil, Holger Stephan, Marı́a de Guadalupe Jaraquemada-Peláez, Chris Orvig

Bibliographic record

VenueInorganic Chemistry · 2021
Typearticle
Languageen
FieldMedicine
TopicRadiopharmaceutical Chemistry and Applications
Canadian institutionsUniversity of British ColumbiaTRIUMF
FundersCanadian Institutes of Health ResearchNatural Sciences and Engineering Research Council of CanadaMitacs
KeywordsChemistryLigand (biochemistry)ProtonationChelationMoietyEthylenediaminePyridineMetalMetal ions in aqueous solutionIonStereochemistryCrystallographyInorganic chemistryMedicinal chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

A new versatile chelating ligand for intermediate size and softness radiometals [ 64 Cu]Cu 2 + and [ 111 In]In 3 +, H 2 pyhox, was synthesized by introducing pyridine as a new donor moiety to complement 8-hydroxyquinoline on an ethylenediamine backbone. The combination of pyridine and oxine as donor sets was explored through structural analysis, and crystals of the three metal complexes with Cu 2 +, La 3 +, and In 3 + demonstrate how the ligand adapts to accommodate metal ions of different sizes and charge. Exhaustive in-batch UV solution studies characterized the protonation constants of the free ligand as well as the formation constants of the metal complexes with Cu 2 +, In 3 +, and La 3 + . Preliminary concentration-dependent radiolabeling studies with [ 111 In]In 3 + and [ 64 Cu]Cu 2 + show the robustness of H 2 pyhox to successfully coordinate both radiometals under mild conditions (<15 min, room temperature, pH 6). H 2 pyhox is the first oxinate ligand to successfully radiolabel [ 225 Ac]Ac 3 +, albeit only at high concentrations (0.1–1 mM) with gentle heating to 37 °C. Whole serum, protein, and ligand challenge assays further demonstrate the kinetic inertness of the [ 111 In]In 3 + and [ 64 Cu]Cu 2 + radiometal-ligand complexes, confirming H 2 pyhox to be a promising versatile radiopharmaceutical chelator.

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 integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.001

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 head0.015
GPT teacher head0.279
Teacher spread0.264 · 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

Citations9
Published2021
Admission routes2
Has abstractyes

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