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Electron density engineering of chalcone derivatives towards synergistically strengthened lipid droplet probes for fluorescence diagnosis and drug evaluation of non-alcoholic fatty liver disease.

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Title: Electron density engineering of chalcone derivatives towards synergistically strengthened lipid droplet probes for fluorescence diagnosis and drug evaluation of non-alcoholic fatty liver disease.
Authors: Luo Y; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China., Zhao Q; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China., Jiang X; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China., Chen Y; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China., Kuang X; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China., Huang R; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China., Qu J; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China., Liu J; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China., Zhang Q; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China., Yu C; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; Chongqing Key Laboratory for Pharmaceutical Metabolism Research, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China., Cai Y; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China. Electronic address: ycai@cqmu.edu.cn.
Source: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2026 Aug 05; Vol. 356, pp. 127744. Date of Electronic Publication: 2026 Mar 18.
Publication Type: Journal Article
Language: English
Journal Info: Publisher: Elsevier Country of Publication: England NLM ID: 9602533 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-3557 (Electronic) Linking ISSN: 13861425 NLM ISO Abbreviation: Spectrochim Acta A Mol Biomol Spectrosc Subsets: MEDLINE
Imprint Name(s): Publication: : Amsterdam : Elsevier
Original Publication: [Kidlington, Oxford, U.K. ; Tarrytown, NY] : Pergamon, c1994-
MeSH Terms: Non-alcoholic Fatty Liver Disease*/drug therapy , Non-alcoholic Fatty Liver Disease*/diagnosis , Non-alcoholic Fatty Liver Disease*/diagnostic imaging , Lipid Droplets*/chemistry , Lipid Droplets*/metabolism , Fluorescent Dyes*/chemistry , Chalcone*/chemistry, Optical Imaging/methods ; Humans ; Animals ; Spectrometry, Fluorescence ; Electrons ; Fluorescent Chemosensor Compounds ; Hep G2 Cells
Abstract: Detecting abnormal lipid levels and timely intervention have great potential for diagnosis and treatment of non-alcoholic fatty liver disease (NAFLD). Herein, a novel molecular electron density engineering strategy for synergistically strengthened lipid droplets (LDs) fluorescence probes based on the chalcone skeleton is presented for simultaneous fluorescence diagnosis and drug evaluation of NAFLD. Specifically, a series of novel chalcone derivatives (C1-C7) with controlled intrinsic electron density distribution are rationally fabricated via introducing various push-pull electronic groups into triphenylamine-fused chalcones. Notably, the optical properties including polarity sensibility, Stokes shift, fluorescence emission, photostability, and aggregation-induced emission (AIE) characteristics are all synergistically boosted upon transforming from D-π-A-π-D to D-π-A-π-A architectures. C2 is identified as the optimal probe for LDs-targeted dynamic high-fidelity fluorescence monitoring in live cells, revealing a novel LDs motion pattern termed "Sequential Separation". Further, C2 permits multiscale fluorescence imaging diagnosis of NAFLD in vitro/vivo. Moreover, two LDs-based drug evaluation protocols utilizing C2 for NAFLD intervention are first established, and sesamol is identified as a potential NAFLD therapeutic agent through these assays. Overall, this work not only provides a rational design strategy and novel probe toolbox for the early diagnosis of NAFLD, but also develops pioneering drug screening methodologies for exploiting potential NAFLD therapeutic drugs.
(Copyright © 2026. Published by Elsevier B.V.)
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Contributed Indexing: Keywords: Chalcone; Drug evaluation; Electron density engineering; Fluorescence imaging; Lipid droplets; Non-alcoholic fatty liver disease
Substance Nomenclature: 0 (Fluorescent Dyes)
5S5A2Q39HX (Chalcone)
0 (Fluorescent Chemosensor Compounds)
Entry Date(s): Date Created: 20260322 Date Completed: 20260713 Latest Revision: 20260713
Update Code: 20260714
DOI: 10.1016/j.saa.2026.127744
PMID: 41865636
Database: MEDLINE
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  Data: Electron density engineering of chalcone derivatives towards synergistically strengthened lipid droplet probes for fluorescence diagnosis and drug evaluation of non-alcoholic fatty liver disease.
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  Data: <searchLink fieldCode="AU" term="%22Luo+Y%22">Luo Y</searchLink>; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China.<br /><searchLink fieldCode="AU" term="%22Zhao+Q%22">Zhao Q</searchLink>; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China.<br /><searchLink fieldCode="AU" term="%22Jiang+X%22">Jiang X</searchLink>; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China.<br /><searchLink fieldCode="AU" term="%22Chen+Y%22">Chen Y</searchLink>; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China.<br /><searchLink fieldCode="AU" term="%22Kuang+X%22">Kuang X</searchLink>; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China.<br /><searchLink fieldCode="AU" term="%22Huang+R%22">Huang R</searchLink>; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China.<br /><searchLink fieldCode="AU" term="%22Qu+J%22">Qu J</searchLink>; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China.<br /><searchLink fieldCode="AU" term="%22Liu+J%22">Liu J</searchLink>; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China.<br /><searchLink fieldCode="AU" term="%22Zhang+Q%22">Zhang Q</searchLink>; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China.<br /><searchLink fieldCode="AU" term="%22Yu+C%22">Yu C</searchLink>; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; Chongqing Key Laboratory for Pharmaceutical Metabolism Research, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China.<br /><searchLink fieldCode="AU" term="%22Cai+Y%22">Cai Y</searchLink>; Chongqing Research Center for Pharmaceutical Engineering, College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China; College of Pharmacy, Chongqing Medical University, Chongqing 400016, PR China. Electronic address: ycai@cqmu.edu.cn.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Elsevier%22">Elsevier </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>9602533 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1873-3557 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2213861425%22">13861425 </searchLink><i>NLM ISO Abbreviation: </i>Spectrochim Acta A Mol Biomol Spectrosc <i>Subsets: </i>MEDLINE
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  Data: <searchLink fieldCode="MM" term="%22Non-alcoholic+Fatty+Liver+Disease%22">Non-alcoholic Fatty Liver Disease*</searchLink>/<searchLink fieldCode="MM" term="%22Non-alcoholic+Fatty+Liver+Disease+drug+therapy%22">drug therapy</searchLink> <br /><searchLink fieldCode="MM" term="%22Non-alcoholic+Fatty+Liver+Disease%22">Non-alcoholic Fatty Liver Disease*</searchLink>/<searchLink fieldCode="MM" term="%22Non-alcoholic+Fatty+Liver+Disease+diagnosis%22">diagnosis</searchLink> <br /><searchLink fieldCode="MM" term="%22Non-alcoholic+Fatty+Liver+Disease%22">Non-alcoholic Fatty Liver Disease*</searchLink>/<searchLink fieldCode="MM" term="%22Non-alcoholic+Fatty+Liver+Disease+diagnostic+imaging%22">diagnostic imaging</searchLink> <br /><searchLink fieldCode="MM" term="%22Lipid+Droplets%22">Lipid Droplets*</searchLink>/<searchLink fieldCode="MM" term="%22Lipid+Droplets+chemistry%22">chemistry</searchLink> <br /><searchLink fieldCode="MM" term="%22Lipid+Droplets%22">Lipid Droplets*</searchLink>/<searchLink fieldCode="MM" term="%22Lipid+Droplets+metabolism%22">metabolism</searchLink> <br /><searchLink fieldCode="MM" term="%22Fluorescent+Dyes%22">Fluorescent Dyes*</searchLink>/<searchLink fieldCode="MM" term="%22Fluorescent+Dyes+chemistry%22">chemistry</searchLink> <br /><searchLink fieldCode="MM" term="%22Chalcone%22">Chalcone*</searchLink>/<searchLink fieldCode="MM" term="%22Chalcone+chemistry%22">chemistry</searchLink><br /><searchLink fieldCode="MH" term="%22Optical+Imaging%22">Optical Imaging</searchLink>/<searchLink fieldCode="MH" term="%22Optical+Imaging+methods%22">methods</searchLink> ; <searchLink fieldCode="MH" term="%22Humans%22">Humans</searchLink> ; <searchLink fieldCode="MH" term="%22Animals%22">Animals</searchLink> ; <searchLink fieldCode="MH" term="%22Spectrometry%2C+Fluorescence%22">Spectrometry, Fluorescence</searchLink> ; <searchLink fieldCode="MH" term="%22Electrons%22">Electrons</searchLink> ; <searchLink fieldCode="MH" term="%22Fluorescent+Chemosensor+Compounds%22">Fluorescent Chemosensor Compounds</searchLink> ; <searchLink fieldCode="MH" term="%22Hep+G2+Cells%22">Hep G2 Cells</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Detecting abnormal lipid levels and timely intervention have great potential for diagnosis and treatment of non-alcoholic fatty liver disease (NAFLD). Herein, a novel molecular electron density engineering strategy for synergistically strengthened lipid droplets (LDs) fluorescence probes based on the chalcone skeleton is presented for simultaneous fluorescence diagnosis and drug evaluation of NAFLD. Specifically, a series of novel chalcone derivatives (C1-C7) with controlled intrinsic electron density distribution are rationally fabricated via introducing various push-pull electronic groups into triphenylamine-fused chalcones. Notably, the optical properties including polarity sensibility, Stokes shift, fluorescence emission, photostability, and aggregation-induced emission (AIE) characteristics are all synergistically boosted upon transforming from D-π-A-π-D to D-π-A-π-A architectures. C2 is identified as the optimal probe for LDs-targeted dynamic high-fidelity fluorescence monitoring in live cells, revealing a novel LDs motion pattern termed "Sequential Separation". Further, C2 permits multiscale fluorescence imaging diagnosis of NAFLD in vitro/vivo. Moreover, two LDs-based drug evaluation protocols utilizing C2 for NAFLD intervention are first established, and sesamol is identified as a potential NAFLD therapeutic agent through these assays. Overall, this work not only provides a rational design strategy and novel probe toolbox for the early diagnosis of NAFLD, but also develops pioneering drug screening methodologies for exploiting potential NAFLD therapeutic drugs.<br /> (Copyright © 2026. Published by Elsevier B.V.)
– Name: Abstract
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  Data: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
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  Data: <i>Keywords: </i>Chalcone; Drug evaluation; Electron density engineering; Fluorescence imaging; Lipid droplets; Non-alcoholic fatty liver disease
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      – Code: eng
        Text: English
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        StartPage: 127744
    Subjects:
      – SubjectFull: Optical Imaging methods
        Type: general
      – SubjectFull: Humans
        Type: general
      – SubjectFull: Animals
        Type: general
      – SubjectFull: Spectrometry, Fluorescence
        Type: general
      – SubjectFull: Electrons
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      – SubjectFull: Fluorescent Chemosensor Compounds
        Type: general
      – SubjectFull: Hep G2 Cells
        Type: general
      – SubjectFull: Non-alcoholic Fatty Liver Disease drug therapy
        Type: general
      – SubjectFull: Non-alcoholic Fatty Liver Disease diagnosis
        Type: general
      – SubjectFull: Non-alcoholic Fatty Liver Disease diagnostic imaging
        Type: general
      – SubjectFull: Lipid Droplets chemistry
        Type: general
      – SubjectFull: Lipid Droplets metabolism
        Type: general
      – SubjectFull: Fluorescent Dyes chemistry
        Type: general
      – SubjectFull: Chalcone chemistry
        Type: general
    Titles:
      – TitleFull: Electron density engineering of chalcone derivatives towards synergistically strengthened lipid droplet probes for fluorescence diagnosis and drug evaluation of non-alcoholic fatty liver disease.
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              Text: 2026 Aug 05
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