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Record W4306777500 · doi:10.1002/cmdc.202200495

Synthesis of a Bifunctional Cross‐Bridged Chelating Agent, Peptide Conjugation, and Comparison of <sup>68</sup>Ga Labeling and Complex Stability Characteristics with Established Chelators

2022· article· en· W4306777500 on OpenAlexaff
Helen Damerow, Björn Wängler, Ralf Schirrmacher, Gert Fricker, Carmen Wängler

Bibliographic record

VenueChemMedChem · 2022
Typearticle
Languageen
FieldMedicine
TopicRadiopharmaceutical Chemistry and Applications
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsDOTAChelationChemistryBifunctionalPeptideCombinatorial chemistryStereochemistryRadiochemistryOrganic chemistryBiochemistry

Abstract

fetched live from OpenAlex

Abstract [68Ga]Ga3+ can be introduced into receptor‐specific peptidic carriers via different chelators to obtain radiotracers for Positron Emission Tomography imaging and the chosen chelating agent considerably influences the in vivo pharmacokinetics of the corresponding radiopeptides. A chelator that should be a valuable alternative to established chelating agents for 68Ga‐radiolabeling of peptides would be a backbone‐functionalized variant of the chelator CB‐DO2A. Here, the bifunctional cross‐bridged chelating agent CB‐DO2A‐GA was developed and compared to the established chelators DOTA, NODA‐GA and DOTA‐GA. For this purpose, CB‐DO2A‐GA(tBu)2 was introduced into the peptide Tyr3‐octreotate (TATE) and in direct comparison to the corresponding DOTA‐, NODA‐GA‐, and DOTA‐GA‐modified TATE analogs, CB‐DO2A‐GA‐TATE required harsher reaction conditions for 68Ga‐incorporation. Regarding the hydrophilicity profile of the resulting radiopeptides, a decrease in hydrophilicity from [68Ga]Ga‐DOTA‐GA‐TATE (logD(7.4) of −4.11±0.11) to [68Ga]Ga‐CB‐DO2A‐GA‐TATE (−3.02±0.08) was observed. Assessing the stability against metabolic degradation and complex challenge, [68Ga]Ga‐CB‐DO2A‐GA demonstrated a very high kinetic inertness, exceeding that of [68Ga]Ga‐DOTA‐GA. Therefore, CB‐DO2A‐GA is a valuable alternative to established chelating agents for 68Ga‐radiolabeling of peptides, especially when the formation of a very stable, positively charged 68Ga‐complex is pursued.

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 score0.002

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 head0.058
GPT teacher head0.321
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

Citations6
Published2022
Admission routes1
Has abstractyes

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