AIEgens 究竟如何靶向细菌？利用靶向机制设计灵敏的荧光免疫传感器,Analytical Chemistry

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AIEgens 究竟如何靶向细菌？利用靶向机制设计灵敏的荧光免疫传感器
Analytical Chemistry ( IF 6.7 ) Pub Date : 2023-03-15 , DOI: 10.1021/acs.analchem.2c04983
Leina Dou ₁ , Qing Li ₁ , Yuchen Bai ₁ , Jiaqian Kou ₁ , Xiaonan Wang ₁ , Qian Zhao ₁ , Xuezhi Yu ₁ , Kai Wen ₁ , Zhanhui Wang ₁ , Jianzhong Shen ₁ , Wenbo Yu ₁

Affiliation

聚集诱导发光剂 (AIEgens) 是细菌成像和检测的有前途的候选者，因为它们无需复杂的标记或洗涤步骤即可“点亮”致病细菌。然而，很少有人深入分析它们作为靶向细菌的荧光探针的内在机制。因此，使用大规模分子动力学模拟，我们研究了它们的细菌“点亮”行为的机制与N，N-diphenyl-4-(7-(pyridin-4-yl)benzo[c][1,2,5]thiadiazol-4-yl) 苯胺用 1-溴乙烷 (TBP-1) 官能化。我们建议 TBP-1 的三苯胺基序，而不是带正电荷的吡啶基团，首先接触细胞膜。TBP-1完全插入细胞膜后，疏水性三苯胺基序定位于细胞膜的疏水核心，限制了TBP-1的分子变异，从而诱导荧光“开启”和细菌“点亮”。 ” 在此基础上，我们建立了用于检测食源性致病菌的异质侧流免疫分析（LFIA）。LFIA 系统显示出更高的灵敏度，检测限低至 10 ³ CFU mL ^–1且特异性强。我们的方案为设计更高效的 AIEgens 和基于 AIEgens 的新型免疫测定开辟了一条有效的捷径。

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How Exactly Do AIEgens Target Bacteria? Leveraging the Targeting Mechanism to Design Sensitive Fluorescent Immunosensors

Aggregation-induced emission luminogens (AIEgens) are promising candidates for bacterial imaging and detection because they can “Light-Up” pathogenic bacteria without complicated labeling or washing steps. However, there have been few in-depth analyses of the intrinsic mechanism underlying their utility as fluorescence probes for targeting bacteria. Therefore, using large-scale molecular dynamics simulations, we investigated the mechanism of their bacterial “Light-Up” behavior with N,N-diphenyl-4-(7-(pyridin-4-yl)benzo[c][1,2,5]thiadiazol-4-yl) aniline functionalized with 1-bromoethane (TBP-1). We propose that the triphenylamine motif of TBP-1, rather than the positively charged pyridine group, first contacts the cell membrane. After TBP-1 completely inserts into the cell membrane, the hydrophobic triphenylamine motif localizes in the hydrophobic core of the cell membrane, restricting the molecular variation of TBP-1, which induces the fluorescent “turn-on” and bacterial “Light-Up.” On this basis, we established a heterogeneous lateral flow immunoassay (LFIA) for the detection of foodborne pathogens. The LFIA system showed improved sensitivity with a limit of detection as low as 10³ CFU mL^–1 and strong specificity. Our protocol opened an effective shortcut to the design of more efficient AIEgens and novel AIEgens-based immunoassays.

更新日期：2023-03-15

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