Skip to content

Research at St Andrews

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

Research output: Contribution to journalArticle

DOI

Standard

Terahertz gas-phase spectroscopy : chemometrics for security and medical applications. / Neumaier, P. F. -X.; Schmalz, K.; Borngraeber, J.; Wylde, R.; Hubers, H. -W.

In: Analyst, Vol. 140, No. 1, 2015, p. 213-222.

Research output: Contribution to journalArticle

Harvard

Neumaier, PF-X, Schmalz, K, Borngraeber, J, Wylde, R & Hubers, H-W 2015, 'Terahertz gas-phase spectroscopy: chemometrics for security and medical applications', Analyst, vol. 140, no. 1, pp. 213-222. https://doi.org/10.1039/c4an01570c

APA

Neumaier, P. F. -X., Schmalz, K., Borngraeber, J., Wylde, R., & Hubers, H. -W. (2015). Terahertz gas-phase spectroscopy: chemometrics for security and medical applications. Analyst, 140(1), 213-222. https://doi.org/10.1039/c4an01570c

Vancouver

Neumaier PF-X, Schmalz K, Borngraeber J, Wylde R, Hubers H-W. Terahertz gas-phase spectroscopy: chemometrics for security and medical applications. Analyst. 2015;140(1):213-222. https://doi.org/10.1039/c4an01570c

Author

Neumaier, P. F. -X. ; Schmalz, K. ; Borngraeber, J. ; Wylde, R. ; Hubers, H. -W. / Terahertz gas-phase spectroscopy : chemometrics for security and medical applications. In: Analyst. 2015 ; Vol. 140, No. 1. pp. 213-222.

Bibtex - Download

@article{1384a7081ed64b02a876bc8c7ade8402,
title = "Terahertz gas-phase spectroscopy: chemometrics for security and medical applications",
abstract = "We describe a spectrometer consisting of a vector network analyzer, a gas absorption cell, and a quasioptical 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.",
keywords = "Breath analysis, Technology, Cancer",
author = "Neumaier, {P. F. -X.} and K. Schmalz and J. Borngraeber and R. Wylde and Hubers, {H. -W.}",
year = "2015",
doi = "10.1039/c4an01570c",
language = "English",
volume = "140",
pages = "213--222",
journal = "Analyst",
issn = "0003-2654",
publisher = "Royal Society of Chemistry",
number = "1",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Terahertz gas-phase spectroscopy

T2 - chemometrics for security and medical applications

AU - Neumaier, P. F. -X.

AU - Schmalz, K.

AU - Borngraeber, J.

AU - Wylde, R.

AU - Hubers, H. -W.

PY - 2015

Y1 - 2015

N2 - We describe a spectrometer consisting of a vector network analyzer, a gas absorption cell, and a quasioptical 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.

AB - We describe a spectrometer consisting of a vector network analyzer, a gas absorption cell, and a quasioptical 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.

KW - Breath analysis

KW - Technology

KW - Cancer

U2 - 10.1039/c4an01570c

DO - 10.1039/c4an01570c

M3 - Article

VL - 140

SP - 213

EP - 222

JO - Analyst

JF - Analyst

SN - 0003-2654

IS - 1

ER -

Related by author

  1. Compact corrugated feedhorns with high Gaussian coupling efficiency and -60 dB sidelobes

    McKay, J. E., Robertson, D. A., Speirs, P. J., Hunter, R. I., Wylde, R. J. & Smith, G. M., Jun 2016, In : IEEE Transactions on Antennas and Propagation. 64, 6, p. 2518-2522

    Research output: Contribution to journalArticle

  2. Instrumentation for high sensitivity, high power, millimetre wave, electron paramagnetic resonance

    Smith, G. M., Robertson, D. A., Bolton, D. R., Cruickshank, P. A. S., Motion, C., McKay, J., El Mkami, H., Wylde, R. & Hunter, R. I., 31 Mar 2016, IET Colloquium on Millimetre-Wave and Terahertz Engineering & Technology 2016. 1 ed. London: Institution of Engineering and Technology, Vol. 2016. 5 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  3. Multimode horn antennas for far-infrared astronomy

    Murphy, J. A., Bracken, C., Doherty, S., McAuley, I., Wilson, D., O'Sullivan, C., Trappe, N., Gradziel, M., Ade, P., Gleeson, E., Maffei, B., Lamarre, J-M., Noviello, F., Peacocke, T., Pisano, G., Puget, J-L., Savini, G., Sudiwala, R., Withington, S., Wylde, R. & 1 others, Yurchenko, V., 1 Jan 2014, 8th European Conference on Antennas and Propagation, EuCAP 2014. p. 2580-2582 3 p.

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  4. A spectrometer designed for 6.7 and 14.1 T DNP-enhanced solid-state MAS NMR using quasi-optical microwave transmission

    Pike, K. J., Kemp, T. F., Takahashi, H., Day, R., Howes, A. P., Kryukov, E. V., MacDonald, J. F., Collis, A. E. C., Bolton, D. R., Wylde, R. J., Orwick, M., Kosuga, K., Clark, A. J., Idehara, T., Watts, A., Smith, G. M., Newton, M. E., Dupree, R. & Smith, M. E., Feb 2012, In : Journal of Magnetic Resonance. 215, p. 1-9 9 p.

    Research output: Contribution to journalArticle

Related by journal

  1. Chemical analysis of multicellular tumour spheroids

    Jamieson, L. E., Harrison, D. J. & Campbell, C. J., 21 Jun 2015, In : Analyst. 140, 12, p. 3910-3920

    Research output: Contribution to journalArticle

  2. Simultaneous intracellular redox potential and pH measurements in live cells using SERS nanosensors

    Jamieson, L. E., Jaworska, A., Jiang, J., Baranska, M., Harrison, D. J. & Campbell, C. J., 7 Apr 2015, In : Analyst. 140, 7, p. 2330-2335 6 p.

    Research output: Contribution to journalArticle

  3. Wavelength modulated surface enhanced (resonance) Raman scattering for background-free detection

    Praveen, B. B., Steuwe, C., Mazilu, M., Dholakia, K. & Mahajan, S., 21 May 2013, In : Analyst. 138, 10, p. 2816-2820 5 p.

    Research output: Contribution to journalArticle

  4. Windowing technique for determining the composition of organic samples by near-infrared reflectance

    Aucott, L. S., Buckland, S. T., Garthwaite, P. H., Nevison, I. M. & Murray, I., 1 Jan 1992, In : The Analyst. 117, 6, p. 947-952 6 p.

    Research output: Contribution to journalArticle

ID: 161193554

Top