Detection of per- and polyfluoroalkyl substances using simple colorimetric tests

In recent decades, PFAS have attracted considerable scientific interest due to their persistent properties. For this reason, a practical, environmentally sustainable, and easily applicable method for detecting and determining PFAS would attract extraordinary attention not only in the field of environmental chemistry but also in other fields, such as laboratory medicine. Several types of instrumental methods are available that enable sensitive and selective detection of PFAS in various matrices, but these methods are costly and require state-of-the-art laboratories and highly qualified personnel. There is a growing need for the development of inexpensive, fast, and sensitive methods that could be used in routine practice and, if necessary, in in situ applications (e.g., using portable devices). Such a solution would significantly reduce the cost of analysis. In this context, the use of UV-Vis spectroscopy appears to be a suitable alternative. The main objective of the proposed project is to develop an environmentally friendly, affordable, fast, sensitive, and robust method for determining PFAS using UV-Vis spectroscopy. However, screening PFAS substances in combination with dozens of different chromophores (selected chromophores are listed in Appendix 1) would require extensive laboratory work. Computational methods, especially QCC, are a significant contribution in this regard, as they can provide valuable information and significantly reduce time and energy requirements. The use of these advanced approaches will enable the identification of promising chromophores, which will then be experimentally verified for the purposes of PFAS detection methodology. In the final phase, artificial intelligence will also be used in conjunction with image processing to predict specific forms of PFAS based on colour changes in chromophores applied to a paper carrier when in contact with real water samples. The project is in line with the European Union's growing emphasis on addressing PFAS issues and, thanks to its innovative approach, can significantly contribute to the development of environmental monitoring, remediation, and public health protection.