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A computational and experimental investigation of donor-acceptor BODIPY based near-infrared fluorophore for in vivo imaging.
- Source :
-
Bioorganic chemistry [Bioorg Chem] 2021 May; Vol. 110, pp. 104789. Date of Electronic Publication: 2021 Mar 04. - Publication Year :
- 2021
-
Abstract
- TD-DFT quantum calculation was performed to predict and/or illustrate the electronic transition, the related absorption and emission maxima of some pyrrole-difluoroboron derivatives with different electron donor-acceptor unit or π-conjugated degree. Upon the calculated results, a new near infrared (NIR) fluorophore (abbreviated as TPBD-BP) was designed and fabricated through linking triphenylamine and pyrrole-difluoroboron units to benzothiadiazole (BTD) backbone. The fluorescence of TPBD-BP in solid state centered at 932 nm, which was 985 nm for TPBD-BP nanoparticles (TPBD-BP dots) encapsulated in PEG-6000. The fluorescence of TPBD-BP in both solid state and dots exhibited off-peak tail emission to NIR-II region (extended to 1300 nm). The TPBD-BP dots showed excellent water solubility, biocompatibility and aggregation induced emission (AIE), which was suitable to be applied in vivo imaging. NIR-II emission signal of TPBD-BP dots can be observed in the reproductive organ of normal nude mice after tail vein injection. This attractive combination of computational and experimental investigation would help to develop new-typed small-molecular NIR fluorophores.<br /> (Copyright © 2021 Elsevier Inc. All rights reserved.)
- Subjects :
- Animals
Boron Compounds administration & dosage
Fluorescent Dyes administration & dosage
Fluorescent Dyes chemical synthesis
Infrared Rays
Mice
Mice, Nude
Molecular Structure
Thiadiazoles administration & dosage
Boron Compounds chemistry
Density Functional Theory
Fluorescent Dyes chemistry
Optical Imaging
Thiadiazoles chemistry
Subjects
Details
- Language :
- English
- ISSN :
- 1090-2120
- Volume :
- 110
- Database :
- MEDLINE
- Journal :
- Bioorganic chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 33714760
- Full Text :
- https://doi.org/10.1016/j.bioorg.2021.104789