Multiplex surface-enhanced Raman scattering detection of deoxynivalenol and ochratoxin A with a linear polymer affinity agent.
Multiplex surface-enhanced Raman scattering detection of deoxynivalenol and ochratoxin A with a linear polymer affinity agent.
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DOI：
10.1039/d0ma00608d
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发表时间：
2020-12-01
影响因子：
5
通讯作者：
Haynes CL
中科院分区：
文献类型：
--
作者：
Rodriguez RS;Szlag VM;Reineke TM;Haynes CL
探索了一种线性的甲基丙烯酰胺聚合物亲和剂，用于捕获两种真菌毒素：脱氧雪腐镰刀菌烯醇(DON)和赭曲霉毒素A(OTA)，用于多重表面增强拉曼散射(SERS)检测。这些真菌毒素是从真菌中自然产生的小分子，在低浓度下可能是危险的。每个聚合物-毒素复合体的SERS检测都是在与FDA当前安全规定相关的浓度下完成的：DON为1ppm，OTA为5ppb。在分别归因于每种真菌毒素的多重光谱中观察到明显可区分的振动模式，因此不需要任何额外的化学计量学分析。用密度泛函理论(DFT)对DON和OTA进行了模拟，以准确地标记实验光谱中的振动模式，并提供了这两个目标与亲和剂之间的结合情况。这些毒素的完全建模的振动是新的贡献，因为OTA从未被建模，并且只有少数已发表的DON的振动模式。DFT通过聚合物上的胺基指导关于每个霉菌毒素目标分子多个位置的氢键的经验观察，证实了单一聚合物亲和剂的能力，通过与传统亲和剂相比，通过不那么具体的相互作用来促进对一类分子的多重检测。
A linear, methacrylamide polymer affinity agent was explored to capture two mycotoxins, deoxynivalenol (DON) and ochratoxin A (OTA), for multiplex surface-enhanced Raman scattering (SERS) detection. These mycotoxins are naturally occurring small molecules from fungi that can be dangerous at low concentrations. SERS detection was completed for each polymer-toxin complex at concentrations relevant to current safety regulation by the FDA: 1 ppm for DON and 5 ppb for OTA. Visibly distinguishable vibrational modes were observed in the multiplex spectra that were attributed to each mycotoxin individually, thus, not requiring any additional chemometric analysis. Density functional theory (DFT) was used to model DON and OTA to accurately label the vibrational modes in the experimental spectra as well as provide insight on the binding between both targets and the affinity agent. Fully modeled vibrations of these toxins are novel contributions due to OTA never being modeled and only a few published vibrational modes of DON. DFT guides empirical observations regarding hydrogen bonding at multiple sites of each mycotoxin target molecule through the amine groups on the polymer, confirming the capabilities of a single polymer affinity agent to facilitate multiplex detection of a class of molecules through less-specific interactions than traditional affinity agents.