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The integration of molecular imprinting and surface-enhanced Raman scattering for highly sensitive detection of lysozyme biomarker aided by density functional theory

机译:密度函数理论促进溶菌酶生物标志物高敏感检测的分子印迹和表面增强拉曼散射的整合

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Surface-enhanced Raman scattering (SERS) is a powerful bioanalytical technique that opens opportunities for early disease diagnosis and treatment by detecting biomarkers. However, the low sensitivity, selectivity, and reproducibility in the bioanalytical SERS are the main obstacles for clinical use. Herein, we demonstrate a high sensitive and selective label-free lysozyme biomarker detection platform based on coupling of SERS with molecular imprinting technique. The hierarchical silver microspheres with dendritic structure are controllably fabricated by a wet-chemical self-assembly approach. Based on selection of surface-active regions by density functional theory (DFT) simulations, a thin MIPs film (thickness < 15 nm) is then grafted on Ag microsphere surface through surface imprinting. As a result, the final synthesized Ag@MIPs hybrid exhibits as low as 5 ng mL(-1) detection limit for target lysozyme, and high selectivity and reproducibility. Intensive "hot spots" in Ag@MIPs confirmed by Raman mapping give rise to the high-performance SERS. Meanwhile, DFT calculations are employed to investigate the SERS spectra and assist the assignment for the characteristic peaks of lysozyme. We believe that the present study provides a reliable and high-sensitive protocol for label-free protein biomarkers detection. (c) 2019 Elsevier B.V. All rights reserved
机译:表面增强的拉曼散射(SERS)是一种强大的生物分析技术,通过检测生物标志物打开早期疾病诊断和治疗的机会。然而,生物分析术中的低灵敏度,选择性和再现性是临床使用的主要障碍。在此,我们证明了一种基于SERS的分子印迹技术的偶联的高敏感和选择性的无标记溶菌酶生物标志物检测平台。具有树突结构的分层银微球可控制地通过湿化学自组装方法制造。基于密度函数理论(DFT)模拟的表面有源区的选择,通过表面积压印在Ag微球表面上接枝薄MIPS膜(厚度<15nm)。结果,最终合成的AG @ MIPS杂种表现出靶溶菌酶的低至5 ng(-1)检测限,以及高选择性和再现性。 AG @ MIPS的密集“热点”由拉曼映射确认的MIPS产生高性能SERS。同时,使用DFT计算来研究SERS光谱并帮助溶菌酶的特征峰的作用。我们认为本研究为无标记的蛋白质生物标志物检测提供了可靠和高灵敏度的方案。 (c)2019 Elsevier B.v.保留所有权利

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