Data for Non-Equilibrium Sensing of Volatile Compounds Using Active and Passive Analyte Delivery

Version 2: Added missing files to sniffing_data.zip See GitHub repository for data processing functions and examples: https://github.com/soerenbrandt/sniffing-sensor Abstract:Sensor technologies have allowed us to outperform the human senses of sight, hearing, and touch; however, the development of artificial noses is significantly behind their biological counterparts. This is largely due to the complexity of natural olfaction, as it incorporates complex fluid dynamics within the nasal anatomy together with the response patterns of hundreds to thousands of unique molecular-scale receptors for odor interpretation. We designed a sensing approach to identify volatiles that exploits time-dependent information from a single sensor (here, the reflectance spectra from a mesoporous one-dimensional photonic crystal) by augmenting and accentuating differences in the non-equilibrium mass-transport dynamics of vapors stemming from their distinct physicochemical properties, thus obviating the need for a large sensor array. By training a machine learning algorithm on the sensor output, we clearly identify polar and nonpolar volatile organic compounds, determine the mixing ratios of binary mixtures, and accurately predict the boiling point, flash point, vapor pressure, and viscosity of several volatile liquids within those used for training as well as compounds unknown to the model. We further implement a bioinspired active sniffing approach, in which the fluid dynamics and patterns of analyte delivery are controlled, enabling an additional modality of differentiation and reducing the duration of data collection and analysis to seconds. These results outline a strategy to build accurate and rapid artificial noses for volatile liquids that can provide useful information on chemicals such as their composition and properties, and can be applied in a variety of fields, including disease diagnosis, hazardous waste management, and healthy building monitoring.