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Humboldt-Universität zu Berlin - Faculty of Mathematics and Natural Sciences - Optical Systems

Humboldt-Universität zu Berlin | Faculty of Mathematics and Natural Sciences | Department of Physics | Optical Systems | Publications | Terahertz gas-phase spectroscopy: chemometrics for security and medical applications

Philipp F Neumaier, K. Schmalz, J. Borngräber, R. Wylde, and Heinz-Wilhelm Hübers (2015)

Terahertz gas-phase spectroscopy: chemometrics for security and medical applications

The Analyst, 140(1):213–222.

We describe a spectrometer consisting of a vector network analyser, a gas absorption cell, and a quasi-optical bench that acquires terahertz spectra of gaseous substances and mixtures. We tested volatile organic compounds that are medical biomarkers or chemicals which can be found on the US Environment Protection Agency list of harmful substances. Absorption spectra at gas pressures between 10 Pa and 5000 Pa were recorded. A subsequent multivariate data analysis demonstrated excellent qualitative and quantitative identification of pure substances and complex mixtures. The applied multivariate algorithms are Principal Components Analysis, Partial Least Square regression and Soft Independent Modelling of Class Analogy.

Gas, Spectroscopy, Gas-Sensor, Terahertz, Millimeter-Waves, Volatile Organic Compounds, VOCs, Chemicals, Mixtures, Medicine, Pharmacy, Security, EPA, Biomarker, Chemometrics, Multivariate Analysis, PCA, PLS, PCR, SIMCA, Substance Identification, Detection, VNA, 245 GHz