Instituto de Ciências Matemáticas e de Computação, USP CP 668, 13560-970 São Carlos, SP, Brazil.
Analyst. 2011 Apr 7;136(7):1344-50. doi: 10.1039/c0an00822b. Epub 2011 Jan 31.
The development of new methods and concepts to visualize massive amounts of data holds the promise to revolutionize the way scientific results are analyzed, especially when tasks such as classification and clustering are involved, as in the case of sensing and biosensing. In this paper we employ a suite of software tools, referred to as PEx-Sensors, through which projection techniques are used to analyze electrical impedance spectroscopy data in electronic tongues and related sensors. The possibility of treating high dimension datasets with PEx-Sensors is advantageous because the whole impedance vs. frequency curves obtained with various sensing units and for a variety of samples can be analyzed at once. It will be shown that non-linear projection techniques such as Sammon's Mapping or IDMAP provide higher distinction ability than linear methods for sensor arrays containing units capable of molecular recognition, apparently because these techniques are able to capture the cooperative response owing to specific interactions between the sensing unit material and the analyte. In addition to allowing for a higher sensitivity and selectivity, the use of PEx-Sensors permits the identification of the major contributors for the distinguishing ability of sensing units and of the optimized frequency range. The latter will be illustrated with sensing units made with layer-by-layer (LbL) films to detect phytic acid, whose capacitance data were visualized with Parallel Coordinates. Significantly, the implementation of PEx-Sensors was conceived so as to handle any type of sensor based on any type of principle of detection, representing therefore a generic platform for treating large amounts of data for sensors and biosensors.
开发新的方法和概念来可视化大量数据有望彻底改变科学结果分析的方式,特别是在涉及分类和聚类等任务时,例如在传感和生物传感中。在本文中,我们使用了一套软件工具,称为 PEx-Sensors,通过该工具可以使用投影技术来分析电子舌和相关传感器中的阻抗谱数据。PEx-Sensors 可以处理高维数据集,这是有利的,因为可以同时分析各种传感单元获得的整个阻抗与频率曲线,以及各种样品的阻抗与频率曲线。结果表明,对于包含能够进行分子识别的单元的传感器阵列,非线性投影技术(如 Sammon 映射或 IDMAP)比线性方法具有更高的区分能力,这显然是因为这些技术能够捕捉到由于传感单元材料与分析物之间的特定相互作用而产生的协同响应。除了允许更高的灵敏度和选择性之外,PEx-Sensors 的使用还允许识别传感单元的主要贡献者以及优化的频率范围,用于区分能力。后者将通过使用层层(LbL)薄膜制作的传感单元来检测植酸的电容数据来加以说明,这些数据使用平行坐标可视化。重要的是,PEx-Sensors 的实现方式可以处理基于任何类型的检测原理的任何类型的传感器,因此代表了用于处理大量传感器和生物传感器数据的通用平台。