Near-infrared II cyanine fluorophores with large stokes shift engineered by regulating respective absorption and emission
Open accessAbstract
Fluorescence bioimaging in the near-infrared II window is a promising area due to its deep tissue penetration and high contrast. However, efficient design strategies for near-infrared II fluorophores with large Stokes shifts are still scarce. Here, we develop a series of near-infrared II fluorophores (termed VIPIs) with large Stokes shifts (167-260 nm in chloroform) by conjugating p-aminostyryl to hemicyanines. Time dependent density functional theory calculation and transient absorption spectra reveal that the excitation process is predominantly localized within the cyanine moiety, whereas the emission process involves the charge transfer from the cyanine to styryl moiety. We demonstrate the applications of VIPIs in multicolor imaging and conjugatable modification. Finally, we show that VIPI-4 liposomes can image the fine bone structure of knee joint of female mice over 1300 nm. This work provides insights into the excited-state photophysical processes in near-infrared II window, offering inspiration for designing fluorophores with extended emission and large Stokes shifts. Fluorescence bioimaging in the second near-infrared (NIR-II) window facilitates in vivo diagnosis and treatment of diseases, but NIR-II fluorophores with large Stokes shifts are scarce. Here, the authors report an asymmetrical cyanine framework that exhibits NIR-II fluorescence and large Stokes shift (167–260 nm), enabling clear imaging of the fine bone structure of the mouse knee joint.
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Xanthene dyes, particularly rhodamines and fluoresceins, have attracted considerable attention in biomedical imaging owing to outstanding photophysical properties including high molar absorptivity, excellent photostability, facile functionalization, and tunable emission.
“Xanthene dyes, particularly rhodamines and fluoresceins, have attracted considerable attention in biomedical imaging owing to their outstanding photophysical properties, including high molar absorptivity, excellent photostability, facile functionalization, and tunable emission”
From Organic small-molecule NIR-II fluorophores for tumor phototheranostics (2026) · cites this paper as [179]
The Design and synthesis section discusses a xanthene NIR-II dye, and the References identify earlier work using xanthene-based dyes for in vivo imaging. The paper does not describe rhodamines or fluoresceins, nor does it attribute high molar absorptivity, photostability, facile functionalization, and tunable emission to those dyes (searched those terms). (LLM, conf=0.78)
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Yao, C., 黄力文, He, Q., Guo, J., Luo, S., Yin, Z., Zhang, X., Gao, F., Fan, Y., & Liu, Y. (2026) · Analytical Chemistry · doi:10.1021/acs.analchem.6c04759
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Zhang, M., Xu, Y., Yakovlev, V. V., & Zhang, Z. (2026) · Journal of the American Chemical Society · doi:10.1021/jacs.6c10272
Duan, J.-L., Shuai, X., Chen, T., Shi, S., Fan, Y., Jia, K., & Chen-zhi, Y. (2026) · Chinese Journal of Polymer Science · doi:10.1007/s10118-026-3797-0
- Authors
- Liu, D., He, Z., Gao, W., Shang, J., Yang, Y., Zhang, X., Li, X., Ma, H., & Shi, W.
- Affiliations
- Chinese Academy of Sciences (CN)
- Corresponding author
- Shi, Wen
- Venue
- Nature Communications
- Published
- 2025-05-27
- Volume
- 16
- Issue
- 1
- Pages
- 4911-4911
- ISSN
- 2041-1723 (ISSN-L)
- PMC
- PMC12117089
- OpenAlex
- W4410775915
- Cited by
- 32
- References
- 59
- Citations by year
- 2026: 22 · 2025: 10
- FWCI
- 6.69
- Type
- journal article
- Language
- en
- Open access
- gold
- doi.org
- Licence
- Locations
- Nature Communications (publishedVersion, cc-by-nc-nd)
- PubMed Central (publishedVersion, cc-by-nc-nd)
- PubMed (publishedVersion)
- RePEc: Research Papers in Economics (submittedVersion)
- DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
- Funders
- National Natural Science Foundation of China (22474147)
- Natural Science Foundation of Beijing Municipality (2222044)
- Topics
- Physical Sciences › Materials Science › Materials Chemistry › Luminescence and Fluorescent Materials
- Physical Sciences › Chemistry › Spectroscopy › Molecular Sensors and Ion Detection
- Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Photochemistry and Electron Transfer Studies
- Keywords
- large Stokes shift, cyanine dyes, hemicyanine, charge transfer, excited-state photophysics, multicolor imaging, fluorescence imaging, fluorophore design
- MeSH terms
- Animals, Carbocyanines, Female, Fluorescent Dyes, Knee Joint, Liposomes, Spectroscopy, Near-Infrared, Mice, Optical Imaging
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