Journal article
Multivariate Calibration Models Based on the Direct Analysis of Near-Infrared Single-Beam Spectra
Applied spectroscopy, Vol.51(9), pp.1330-1339
09/1997
DOI: 10.1366/0003702971942006
Abstract
Multivariate calibration models are generated for glucose, glutamine, and asparagine on the basis of partial least-squares regression analysis of near-infrared single-beam spectra covering the 5000–4000−cm–1 (2000–2500-nm) spectral range. Models are constructed with both raw and digitally Fourier-filtered single-beam spectra. Model performance is evaluated and compared with that of analogous models constructed from the corresponding computed absorbance spectra. Five unique data sets are examined corresponding to the measurement of (A) glucose in phosphate buffer with different temperatures, (B) glucose with variable albumin protein levels, (C) glucose with variable triacetin levels, (D) glucose and glutamine in a set of binary mixtures, and (E) glutamine and asparagine in a set of binary mixtures. In all cases, models based on single-beam spectra perform as well as those based on computed absorbance spectra.
Details
- Title: Subtitle
- Multivariate Calibration Models Based on the Direct Analysis of Near-Infrared Single-Beam Spectra
- Creators
- Geng Lu - Department of Chemistry, University of Iowa, Iowa City, Iowa 52242 (G.L., X.Z., M.A.A.); and Center for Intelligent Chemical Instrumentation, Department of Chemistry, Clippinger Laboratories, Ohio University, Athens, Ohio 45701-2979 (G.W.S.)Xiangji Zhou - Department of Chemistry, University of Iowa, Iowa City, Iowa 52242 (G.L., X.Z., M.A.A.); and Center for Intelligent Chemical Instrumentation, Department of Chemistry, Clippinger Laboratories, Ohio University, Athens, Ohio 45701-2979 (G.W.S.)Mark A Arnold - Department of Chemistry, University of Iowa, Iowa City, Iowa 52242 (G.L., X.Z., M.A.A.); and Center for Intelligent Chemical Instrumentation, Department of Chemistry, Clippinger Laboratories, Ohio University, Athens, Ohio 45701-2979 (G.W.S.)Gary W Small - Department of Chemistry, University of Iowa, Iowa City, Iowa 52242 (G.L., X.Z., M.A.A.); and Center for Intelligent Chemical Instrumentation, Department of Chemistry, Clippinger Laboratories, Ohio University, Athens, Ohio 45701-2979 (G.W.S.)
- Resource Type
- Journal article
- Publication Details
- Applied spectroscopy, Vol.51(9), pp.1330-1339
- Publisher
- SAGE Publications
- DOI
- 10.1366/0003702971942006
- ISSN
- 0003-7028
- eISSN
- 1943-3530
- Language
- English
- Date published
- 09/1997
- Academic Unit
- Fraternal Order of Eagles Diabetes Research Center; Center for Biocatalysis and Bioprocessing; Chemistry
- Record Identifier
- 9984217457202771
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