Decoding Optical Responses of Contact-Printed Arrays of Thermotropic Liquid Crystals Using Machine Learning: Detection and Reporting of Aqueous Amphiphiles with Enhanced Sensitivity and Selectivity.

Autor: Wang F; Department of Chemistry, University of Wisconsin-Madison, 1101 University Ave., Madison, Wisconsin 53706, United States., Qin S; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Dr., Madison, Wisconsin 53706, United States., Acevedo-Vélez C; Department of Chemical Engineering, University of Puerto Rico-Mayagüez, Call Box 9000, Mayagüez, PR 00681-9000, United States., Van Lehn RC; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Dr., Madison, Wisconsin 53706, United States., Zavala VM; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Dr., Madison, Wisconsin 53706, United States.; Mathematics and Computer Science Division, Argonne National Laboratory, 9700 S. Cass Ave, Lemont, Illinois 60439, United States., Lynn DM; Department of Chemistry, University of Wisconsin-Madison, 1101 University Ave., Madison, Wisconsin 53706, United States.; Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Dr., Madison, Wisconsin 53706, United States.
Jazyk: angličtina
Zdroj: ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2023 Nov 01; Vol. 15 (43), pp. 50532-50545. Date of Electronic Publication: 2023 Oct 19.
DOI: 10.1021/acsami.3c12905
Abstrakt: Surfactants and other amphiphilic molecules are used extensively in household products, industrial processes, and biological applications and are also common environmental contaminants; as such, methods that can detect, sense, or quantify them are of great practical relevance. Aqueous emulsions of thermotropic liquid crystals (LCs) can exhibit distinctive optical responses in the presence of surfactants and have thus emerged as sensitive, rapid, and inexpensive sensors or reporters of environmental amphiphiles. However, many existing LC-in-water emulsions require the use of complicated or expensive instrumentation for quantitative characterization owing to variations in optical responses among individual LC droplets. In many cases, the responses of LC droplets are also analyzed by human inspection, which can miss subtle color or topological changes encoded in LC birefringence patterns. Here, we report an LC-based surfactant sensing platform that takes a step toward addressing several of these issues and can reliably predict concentrations and types of surfactants in aqueous solutions. Our approach uses surface-immobilized, microcontact-printed arrays of micrometer-scale droplets of thermotropic LCs and hierarchical convolutional neural networks (CNNs) to automatically extract and decode rich information about topological defects and color patterns available in optical micrographs of LC droplets to classify and quantify adsorbed surfactants. In addition, we report computational capabilities to determine relevant optical features extracted by the CNN from LC micrographs, which can provide insights into surfactant adsorption phenomena at LC-water interfaces. Overall, the combination of microcontact-printed LC arrays and machine learning provides a convenient and robust platform that could prove useful for developing high-throughput sensors for on-site testing of environmentally or biologically relevant amphiphiles.
Databáze: MEDLINE