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Record W4417423416 · doi:10.26434/chemrxiv-2025-v9584

A General Synthetic Approach for Polymethine Modified Trimethine Cyanines Gives Access to Viscosity Sensitive Probes

2025· article· W4417423416 on OpenAlexaff
Mohan Kodisana, Ismael A. Elayan, Macarena Nehme, Hadi D. Arman, Alex Brown, Syed Muhammad Usama

Bibliographic record

VenueChemRxiv · 2025
Typearticle
Language
FieldMaterials Science
TopicLuminescence and Fluorescent Materials
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsCyanineBioconjugationAbsorption (acoustics)ViscosityStokes shiftYield (engineering)Work (physics)

Abstract

fetched live from OpenAlex

Polymethine functionalization of trimethine cyanine (Cy3) fluorophores remains challenging due to limited synthetic strategies. Here, we report a versatile synthetic strategy for accessing both symmetric and unsymmetric meso-substituted Cy3 fluorophores using activated carboxyl intermediates. This three-step, high-yielding approach enables polymethine modified Cy3. Through systematic variation of acyl chloride precursors and indolenine derivatives, we generated a structurally diverse library of Cy3 dyes featuring aliphatic, aromatic, and electron-withdrawing meso-substituents. The approach is compatible with a broad range of indolenines. The Cy3 fluorophores have absorption and emission maxima between 550–590 nm and 560–650 nm, respectively. Unsymmetric Cy3 derivatives have larger Stokes shifts (up to 100 nm) as compared to symmetrical Cy3. Additionally, we demonstrate a new approach to synthesize viscosity sensitive probes. We show that meso-substituted benzothiazole-containing analogs exhibit up to 20-fold enhancement in quantum yield in high-viscosity environments, and, as such, could be used as molecular rotors for viscosity sensing. Complementary time-dependent density functional theory (TD-DFT) calculations further support the experimental observations by accurately reproducing the substituent‐dependent trends in absorption, emission, and Stokes shifts across the series. The computed absorption wavelengths and Stokes shifts are consistent with the experimental results. This work establishes a general synthetic scheme for meso-functionalized Cy3, offering new opportunities to fine-tune photophysical properties for imaging, sensing, and bioconjugation applications.

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: Methods · Consensus signal: none
Teacher disagreement score0.002
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.001

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 head0.038
GPT teacher head0.317
Teacher spread0.279 · 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
GenreMethods

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

Citations0
Published2025
Admission routes1
Has abstractyes

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