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Issue 1, 2015
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Terahertz gas-phase spectroscopy: chemometrics for security and medical applications

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Abstract

We describe a spectrometer consisting of a vector network analyzer, 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.

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

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Publication details

The article was received on 26 Aug 2014, accepted on 07 Nov 2014 and first published on 07 Nov 2014


Article type: Paper
DOI: 10.1039/C4AN01570C
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Analyst, 2015,140, 213-222

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

    P. F.-X. Neumaier, K. Schmalz, J. Borngräber, R. Wylde and H.-W. Hübers, Analyst, 2015, 140, 213
    DOI: 10.1039/C4AN01570C

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