World Premier International Research Center Initiative (WPI), International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki, 305-0044, Japan.
Center for Materials Research by Information Integration (CMI2), National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki, 305-0047, Japan.
Sci Rep. 2017 Jun 16;7(1):3661. doi: 10.1038/s41598-017-03875-7.
Smells are known to be composed of thousands of chemicals with various concentrations, and thus, the extraction of specific information from such a complex system is still challenging. Herein, we report for the first time that the nanomechanical sensing combined with machine learning realizes the specific information extraction, e.g. alcohol content quantification as a proof-of-concept, from the smells of liquors. A newly developed nanomechanical sensor platform, a Membrane-type Surface stress Sensor (MSS), was utilized. Each MSS channel was coated with functional nanoparticles, covering diverse analytes. The smells of 35 liquid samples including water, teas, liquors, and water/EtOH mixtures were measured using the functionalized MSS array. We selected characteristic features from the measured responses and kernel ridge regression was used to predict the alcohol content of the samples, resulting in successful alcohol content quantification. Moreover, the present approach provided a guideline to improve the quantification accuracy; hydrophobic coating materials worked more effectively than hydrophilic ones. On the basis of the guideline, we experimentally demonstrated that additional materials, such as hydrophobic polymers, led to much better prediction accuracy. The applicability of this data-driven nanomechanical sensing is not limited to the alcohol content quantification but to various fields including food, security, environment, and medicine.
气味已知由具有各种浓度的数千种化学物质组成,因此,从如此复杂的系统中提取特定信息仍然具有挑战性。在此,我们首次报告了纳米机械传感与机器学习相结合,实现了从酒类气味中提取特定信息,例如以酒精含量定量作为概念验证。我们使用了一种新开发的纳米机械传感器平台,即膜式表面应力传感器 (MSS)。每个 MSS 通道都涂有功能纳米粒子,覆盖了不同的分析物。使用功能化 MSS 阵列测量了 35 种液体样品的气味,包括水、茶、酒以及水/乙醇混合物。我们从测量响应中选择了特征特征,并使用核脊回归来预测样品的酒精含量,从而成功地实现了酒精含量定量。此外,本方法提供了一种提高定量准确性的指导方针;疏水性涂层材料比亲水性材料更有效。在此基础上,我们通过实验证明了疏水聚合物等额外材料可带来更好的预测精度。这种基于数据的纳米机械传感的适用性不仅限于酒精含量定量,还适用于食品、安全、环境和医学等各个领域。