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Record W4318148751 · doi:10.1002/chem.202203815

Selective Chelation of the Exotic Meitner‐Auger Emitter Mercury‐197 m/g with Sulfur‐Rich Macrocyclic Ligands: Towards the Future of Theranostic Radiopharmaceuticals

2023· article· en· W4318148751 on OpenAlexafffund
Parmissa Randhawa, Kaley Lexi Gower-Fry, Cailum M. K. Stienstra, Marianna Tosato, Shaohuang Chen, Yang Gao, Anthony W. McDonagh, Valerio Di Marco, Valery Radchenko, Georg Schreckenbach, Caterina F. Ramogida

Bibliographic record

VenueChemistry - A European Journal · 2023
Typearticle
Languageen
FieldMedicine
TopicRadiopharmaceutical Chemistry and Applications
Canadian institutionsUniversity of British ColumbiaUniversity of ManitobaSimon Fraser UniversityTRIUMF
FundersNatural Sciences and Engineering Research Council of CanadaTRIUMFCanadian Cancer Society Research InstituteCanadian Institutes of Health ResearchUniversity of TorontoNational Research Council CanadaUniversità degli Studi di Padova
KeywordsChelationChemistryIn vivoRadiochemistryCombinatorial chemistryNuclear chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Mercury‐197 m/g are a promising pair of radioactive isomers for incorporation into a theranostic as they can be used as a diag nostic agent using SPECT imaging and a thera peutic via Meitner‐Auger electron emissions. However, the current absence of ligands able to stably coordinate 197m/g Hg to a tumour‐targeting vector precludes their use in vivo. To address this, we report herein a series of sulfur‐rich chelators capable of incorporating 197m/g Hg into a radiopharmaceutical. 1,4,7,10‐Tetrathia‐13‐azacyclopentadecane (NS 4 ) and its derivatives, (2‐(1,4,7,10‐tetrathia‐13‐azacyclopentadecan‐13‐yl)acetic acid (NS 4 ‐CA) and N‐ benzyl‐2‐(1,4,7,10‐tetrathia‐13‐azacyclopentadecan‐13‐yl)acetamide (NS 4 ‐BA), were designed, synthesized and analyzed for their ability to coordinate Hg 2+ through a combination of theoretical (DFT) and experimental coordination chemistry studies (NMR and mass spectrometry) as well as 197m/g Hg radiolabeling studies and in vitro stability assays. The development of stable ligands for 197m/g Hg reported herein is extremely impactful as it would enable their use for in vivo imaging and therapy, leading to personalized treatments for cancer.

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)0.000
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: Empirical
Teacher disagreement score0.029
Threshold uncertainty score0.540

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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 integrity0.0000.001
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 head0.033
GPT teacher head0.288
Teacher spread0.256 · 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

Citations14
Published2023
Admission routes2
Has abstractyes

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