Experimental design-based strategy for the simulation of complex gaseous mixture spectra to detect drug precursors

Marco Calderisi; Alessandro Ulrici; Laura Pigani; Alberto Secchi; Renato Seeber

doi:10.1117/12.971494

19 November 2012 Experimental design-based strategy for the simulation of complex gaseous mixture spectra to detect drug precursors

Marco Calderisi, Alessandro Ulrici, Laura Pigani, Alberto Secchi, Renato Seeber

Author Affiliations +

Proceedings Volume 8545, Optical Materials and Biomaterials in Security and Defence Systems Technology IX; 85450B (2012) https://doi.org/10.1117/12.971494
Event: SPIE Security + Defence, 2012, Edinburgh, United Kingdom

Abstract

The EU FP7 project CUSTOM (Drugs and Precursor Sensing by Complementing Low Cost Multiple Techniques) aims at developing a new sensing system for the detection of drug precursors in gaseous samples, which includes an External Cavity-Quantum Cascade Laser Photo-Acoustic Sensor (EC-QCLPAS) that is in the final step of realisation. Thus, a simulation based on FT-IR literature spectra has been accomplished, where the development of a proper strategy for the design of the composition of the environment, as much as possible realistic and representative of different scenarios, is of key importance. To this aim, an approach based on the combination of signal processing and experimental design techniques has been developed. The gaseous mixtures were built by adding the considered 4 drug precursor (target) species to the gases typically found in atmosphere, taking also into account possible interfering species. These last chemicals were selected considering custom environments (20 interfering chemical species), whose concentrations have been inferred from literature data. The spectra were first denoised by means of a Fast Wavelet Transform-based algorithm; then, a procedure based on a sigmoidal transfer function was developed to multiply the pure components spectra by the respective concentration values, in a way to correctly preserve background intensity and shape, and to operate only on the absorption bands. The noise structure of the EC-QCLPAS was studied using sample spectra measured with a prototype instrument, and added to the simulated mixtures. Finally a matrix containing 5000 simulated spectra of gaseous mixtures was built up.

Citation Download Citation

Marco Calderisi, Alessandro Ulrici, Laura Pigani, Alberto Secchi, and Renato Seeber "Experimental design-based strategy for the simulation of complex gaseous mixture spectra to detect drug precursors", Proc. SPIE 8545, Optical Materials and Biomaterials in Security and Defence Systems Technology IX, 85450B (19 November 2012); https://doi.org/10.1117/12.971494

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