Physics-informed Machine Learning approach for a selective, sensitive, and rapid sensor for detecting unsafe levels of carcinogenic/toxic VOCs

基于物理的机器学习方法，用于选择性、灵敏且快速的传感器，用于检测致癌/有毒 VOC 的不安全水平

• 批准号: 10600819
• 负责人: Hamed Attariani
• 金额: $ 27.56万
• 依托单位: PROMETHEUS TECHNOLOGIES, LLC
• 依托单位国家: 美国
• 财政年份: 2023
• 资助国家: 美国
• 起止时间: 2023-01-01 至 2024-12-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/10600819
• 关键词: Agreement; Air; Air Pollutants; Air Pollution; Benzene; Cancer Etiology; Central Nervous System; Cessation of life; Chemicals; Chromatography; Classification; Computer software; Dangerousness; Data; Data Set; Dependence; Detection; Devices; Discrimination; Elements; Environment; Environmental Health; Exposure to; Goals; Hazardous Chemicals; Health; Immune system; Industrialization; Industry; Legal patent; Link; Machine Learning; Malignant Neoplasms; Marketing; Mass Fragmentography; Medical; Methods; Military Personnel; Modeling; Monitor; Multivariate Analysis; National Institute of Environmental Health Sciences; Neural Network Simulation; Noise; Optics; Phase; Physics; Polymers; Process; Property; Reaction Time; Reading; Sales; Sampling; Series; Signal Transduction; Small Business Technology Transfer Research; Spectrum Analysis; System; Technology; Temperature; TensorFlow; Time; Toluene; Training; Uncertainty; Validation; Work; Xylene; absorption; carcinogenicity; cost; data modeling; detector; disability; ethylbenzene; fabrication; global environment; industry partner; instrument; large scale production; machine learning algorithm; machine learning model; manufacture; miniaturize; next generation; optical sensor; photoionization; premature; prototype; real world application; reproductive; response; sensor; skills; success; transmission process; volatile organic compound; waveguide

Project Summary Each year, between 340,000 and 900,000 premature deaths can be linked to air pollution caused by releasing Volatile Organic Compounds (VOCs), i.e., an estimated 1.8 billion tons of VOCs are emitted to the global environment each year. Also, some VOCs cause serious adverse health effects even at the trace level concentration, e.g., cancer, damage to the central nervous and immune system. For example, the EPA has identified 188 toxic air pollutants known or suspected to cause cancer or other serious health effects, such as reproductive effects, congenital disabilities, or adverse environmental effects. Existing commercial sensors for detecting VOCs, such as photoionization detectors, are non-selective. So, they are unsuitable for detecting unsafe levels of multiple carcinogenic/toxic VOCs simultaneously, e.g., Benzene and Toluene. Also, the current selective detecting technologies such as gas chromatography-mass spectrometry (global chromatography market size >$15B by 2030) are bulky (~5 lbs.), expensive (~$25K - $100K), sluggish (~ 2 minutes), and requires a skilled/trained operator. Therefore, Prometheus Technologies is developing a patented sensor platform with features such as selectivity, low-cost, fast, small form factor monitoring solution that does not require skilled/trained operators to detect unsafe levels of carcinogenic/toxic VOCs. A significant technological hurdle to developing a selective VOC sensor is interference from a small subset of background confounders when a feature-limited single wavelength desorption curve is used for quantification. The goals of this application are 1) to perform a series of verified physics-based models to generate a sizeable optical sensor dataset at a low cost that is essential considering the scarcity of data in this field, and 2) to develop a machine learning model based on the dataset in step (1) for detecting unsafe levels of target compounds with background confounders. This work is necessary to advance our patented selective and miniaturized VOC optical sensor.

项目概要 每年，有 340,000 至 900,000 人过早死亡可能与排放污染物造成的空气污染有关。 挥发性有机化合物 (VOC)，即估计向全球排放 18 亿吨 VOC 每年的环境。此外，一些挥发性有机化合物即使在痕量水平也会对健康造成严重的不利影响 浓度，例如癌症、中枢神经和免疫系统的损害。例如，美国环保局 (EPA) 确定了 188 种已知或怀疑会导致癌症或其他严重健康影响的有毒空气污染物，例如 生殖影响、先天性残疾或不利的环境影响。现有的商业传感器 检测 VOC（例如光电离检测器）是非选择性的。因此，它们不适合检测 同时存在不安全水平的多种致癌/有毒挥发性有机化合物，例如苯和甲苯。另外，当前 选择性检测技术，例如气相色谱-质谱法（全局色谱法） 到 2030 年市场规模 >$15B) 体积庞大（~5 磅）、昂贵（~$25K - $100K）、缓慢（~2 分钟），并且需要 熟练/训练有素的操作员。因此，Prometheus Technologies 正在开发具有专利的传感器平台 具有选择性、低成本、快速、小尺寸监控解决方案等特点，无需 熟练/训练有素的操作员检测不安全水平的致癌/有毒挥发性有机化合物。一个重大的技术障碍 开发选择性 VOC 传感器时，会受到一小部分背景混杂因素的干扰 特征限制的单波长解吸曲线用于定量。该应用程序的目标是 1) 执行一系列经过验证的基于物理的模型，以低成本生成相当大的光学传感器数据集 考虑到该领域数据的稀缺性，这一点至关重要；2）开发基于机器学习的模型 在步骤（1）中的数据集上检测具有背景混杂因素的目标化合物的不安全水平。这 推进我们获得专利的选择性和小型化 VOC 光学传感器的工作是必要的。