局域表面等离子共振不仅可以扩宽材料的光谱响应范围,还可以增强局部电场从而使待测分子的拉曼信号增强,在生命科学领域发挥着重要作用。本文建立了单个金纳米颗粒(gold nanoparticle,AuNP)和双个金纳米颗粒在全血环境中的模型,并采用三维有限元方法系统地研究颗粒尺寸、间隙以及全血消光系数对金纳米颗粒近场增强的影响。研究表明,在全血环境单个AuNP模型中,随着颗粒尺寸增大,共振峰红移。当颗粒尺寸为80 nm时,局部电场最大。相比于空气介质,在全血介质中的AuNP共振峰红移并且局域电场增强。全血的消光系数对局部电场的影响非常小,局部电场增强差异小于0.1 V/m。在全血环境双个AuNPs模型中,随着两颗粒间距减小,共振峰蓝移且局域电场明显增强。当两颗粒间距为1 nm时,拉曼增强因子可高达1011。该研究为全血环境中药物分子和生物标志物的表面增强拉曼散射灵敏性检测实验提供一定的理论指导。
Abstract
Localized surface plasmon resonance (LSPR) not only broadens the spectral response range of materials, but also enhances the local electric field so as to enhance the Raman signal of the molecule to be measured, playing an important role in the life sciences. In this paper, the model of single gold nanoparticle (AuNP) and double gold nanoparticles (AuNPs) in whole blood environment is established and the three-dimensional finite element method is used to systematically study effect of particle size, gap and whole blood extinction coefficient on near-field enhancement of AuNPs. The simulation results show that in single AuNP model of the whole blood environment, as the particle size increases, the plasmon resonance peak red-shifts, and the local electric field is the largest when the size is 80 nm. Compared with air medium, the AuNP resonance peak in whole blood medium red-shifts and the local electric field enhances. The effect of extinction coefficient of whole blood on local electric field was very small, and the difference of local electric field enhancement is less than 0.1 V/m. In the double AuNPs model of whole blood environment, as the gap between the two particles decreases, the plasmon resonance peak blue-shifts and the local electric field increases. When the distance between the two particles is 1 nm, the Raman enhancement factor can be as high as 1011. This study provides theoretical guidance for surface-enhanced Raman scattering (SERS) sensitivity testing of drug molecules and biomarkers in the whole blood environment.
关键词
全血环境 /
金纳米颗粒 /
近场增强 /
有限元法
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Key words
whole blood enhancement /
AuNPs /
near- field enhancement /
finite-element method
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参考文献
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脚注
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基金
国家自然科学基金资助项目(61575120)
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