用石英调叉传感器在水溶液中检测芳香碳化合物 修改了用Calix[4]arene Methoxy Ester自组装单层:实验和密度函数理论研究
Shofiur Rahman1, Mahmoud A Al-Gawati1,2, Fatimah S Alfaifi2
1Biological and Environmental Sensing Research Unit, King Abdullah Institute for Nanotechnology, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.
Molecules (Basel, Switzerland)
|October 14, 2023
概括
这项研究开发了一种石水晶微平衡传感器,涂有素,用于检测水中的,和乙烯. 传感器实现了这些芳香碳化合物的超低检测极限,与计算结合能相关联.
科学领域:
- 化学传感器 化学传感器
- 材料科学 材料科学 材料科学
- 计算化学的计算化学
背景情况:
- 石英调音叉 (QTF) 是用于各种传感应用的敏感共振器.
- 与宿主分子功能化的自组合单层 (SAM) 可以选择性地结合分析物.
- 诸如,和乙之类的芳香碳化合物是常见的环境污染物.
研究的目的:
- 开发一种基于QTF的传感器,用于检测水样中的,和乙烯.
- 调查开发的传感器的传感性能和检测极限.
- 以计算方式探索传感层和分析物之间的主机-客户互动.
主要方法:
- 用黄金涂层QTF和一个下边功能化的calix[4]arene methoxy ester (CME) SAM. SAM.
- 测量QTF传感器在暴露于水中不同度的,和乙烯时的频率变化.
- 执行密度函数理论 (DFT) 计算,以确定宿主-客群的电子相互作用能量 (ΔIE).
主要成果:
- 该QTF传感器显示了,和乙烯的超低检测极限,达到10-14M范围.
- 的共振频率变化最高,其次是,其次是,然后是乙,度为10-6M.
- DFT计算揭示了与实验观测相关的结合能 (ΔIEs) 的一致趋势,是表现出最强的相互作用.
结论:
- 开发的CME-SAM涂层QTF传感器对于敏感检测水中的芳香化合物非常有效.
- 传感器的性能受到芳香碳化合物的基群的影响.
- 计算建模为结合机制提供了有价值的见解,并支持实验发现.
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