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Record W4406727304 · doi:10.1021/jacs.4c12072

Impact of Ligand Structure on Biological Activity and Photophysical Properties of NHC-Protected Au<sub>13</sub> Nanoclusters

2025· article· en· W4406727304 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueJournal of the American Chemical Society · 2025
Typearticle
Languageen
FieldMaterials Science
TopicNanocluster Synthesis and Applications
Canadian institutionsPrincess Margaret Cancer CentreUniversity of TorontoUniversity Health NetworkQueen's University
FundersSocial Sciences and Humanities Research Council of CanadaNatural Sciences and Engineering Research Council of CanadaResearch Foundation for the Electrotechnology of ChubuNagoya UniversityJapan Society for the Promotion of ScienceGovernment of OntarioCanada Research ChairsCanada Foundation for InnovationAmerican Chemical Society Petroleum Research FundJapan Science and Technology Corporation
KeywordsNanoclustersChemistryPhotoluminescenceQuantum yieldFluorescencePhotochemistryCluster (spacecraft)Density functional theoryLigand (biochemistry)LuminescenceNanotechnologyCrystallographyComputational chemistryOptoelectronicsMaterials scienceOrganic chemistry

Abstract

fetched live from OpenAlex

N-heterocyclic carbene (NHC)-protected gold nanoclusters display high stability and high photoluminescence, making them well-suited for fluorescence imaging and photodynamic therapeutic applications. We report herein the synthesis of two bisNHC-protected Au 13 nanoclusters with π-extended aromatic systems. Depending on the position of the π-extended aromatic system, changes to the structure of the ligand shell in the cluster are observed, with the ability to correlate increases in rigidity with increases in fluorescence quantum yield. Density functional theory analysis reveals that both synthesized Au 13 nanoclusters are 8-electron superatoms but have distinct differences in the characteristics of the lowest unoccupied single-electron states. Qualitatively, this implies different mechanisms for excitations and their decay over the fundamental energy gap. Stability and photophysical studies were carried out to provide the emission lifetime and optical purity of the two clusters. Active intracellular uptake of the nanoclusters was confirmed in vitro using confocal microscopy in human epithelial carcinoma cells. Reactive oxygen species production was measured at 7% efficiency. The high cluster stability, photoluminescence quantum yields, and efficient cellular uptake in cancer cells suggest potential for these nanoclusters as highly efficient and tunable nanomedical platforms.

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.

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)0.000
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 score0.025
Threshold uncertainty score0.329

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
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 head0.012
GPT teacher head0.250
Teacher spread0.238 · 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