Abstract:To benefit from the full information content of the mid-IR spectra of human sera, we directly related the overall shape of the spectra to the donors' disease states. For this approach of disease pattern recognition we applied cluster analysis and discriminant analysis to the example of the disease states diabetes type 1, diabetes type 2, and healthy. In a binary, supervised classification of any pair of these disease states we achieved specificities and sensitivities of approximately 80% within our data set.
“…A commonly employed approach to analyzing the composition of biological fluids using FTIR is to deposit a drop of the solution on a suitable substrate such as CaF 2 and air dry the sample before collection of spectra in transmission mode [62,63,70,71]. The process concentrates the analytes from the solution, potentially allowing better signal to noise, but results in a physically and chemically inhomogeneous sample and, as demonstrated in the previous section, the spectra of the molecular components can be significantly altered in the condensed form.…”
Section: Infrared Spectroscopy Of Human Serummentioning
The applications of vibrational spectroscopy to the examination of human blood serum are explored. Although FTIR spectra can be recorded in aqueous solutions at (gelatin) concentrations as low as 100 mg/L, the high-wavenumber region remains obscured by water absorption. Using Raman spectroscopy, high quality spectra of gelatine solutions as low as 10 mg/L can be achieved, also covering the high-wavenumber regions. In human serum, spectral profiles are weak and partially obscured by water features. Dried deposits are shown to be physically and chemically inhomogeneous resulting in reduced measurement reproducibility. Concentration of the serum using commercially available centrifugal filter devices results in an improvement in the spectral intensity and quality. Additionally, in Raman spectroscopy, reduced background and significantly enhanced signal collection is achievable by measurement in an inverted geometry. The improved protocols for spectroscopic measurement of human serum are applicable to a range of bodily fluids and should accelerate potential clinical applications
“…A commonly employed approach to analyzing the composition of biological fluids using FTIR is to deposit a drop of the solution on a suitable substrate such as CaF 2 and air dry the sample before collection of spectra in transmission mode [62,63,70,71]. The process concentrates the analytes from the solution, potentially allowing better signal to noise, but results in a physically and chemically inhomogeneous sample and, as demonstrated in the previous section, the spectra of the molecular components can be significantly altered in the condensed form.…”
Section: Infrared Spectroscopy Of Human Serummentioning
The applications of vibrational spectroscopy to the examination of human blood serum are explored. Although FTIR spectra can be recorded in aqueous solutions at (gelatin) concentrations as low as 100 mg/L, the high-wavenumber region remains obscured by water absorption. Using Raman spectroscopy, high quality spectra of gelatine solutions as low as 10 mg/L can be achieved, also covering the high-wavenumber regions. In human serum, spectral profiles are weak and partially obscured by water features. Dried deposits are shown to be physically and chemically inhomogeneous resulting in reduced measurement reproducibility. Concentration of the serum using commercially available centrifugal filter devices results in an improvement in the spectral intensity and quality. Additionally, in Raman spectroscopy, reduced background and significantly enhanced signal collection is achievable by measurement in an inverted geometry. The improved protocols for spectroscopic measurement of human serum are applicable to a range of bodily fluids and should accelerate potential clinical applications
“…The latter spectra were classified by linear discriminant analysis (LDA) of the optimal set of spectral subregions. An LDA algorithm was used to recognize the patterns in these subregions, which were characteristic of mild and severe AP [21,23] .…”
Section: Infrared Spectroscopymentioning
confidence: 99%
“…The interpretation of IR spectra of serum in particular diseases has been shown to identify disease-specific signatures, e.g., for diabetes mellitus [23] , rheumatoid arthritis [24] , and human immunodeficiency virus infection [25] . The clearest advantage of this method is that it does not require specific reagents.…”
“…13 Throughout this paper we refer to this combination of the spectroscopy of molecular vibrations and multivariate classification algorithms as ''Disease Pattern Recognition'' or ''Diagnostic Pattern Recognition'' (DPR). [10][11][12][13][14] The DPR-method yields a number between 1 and 0 (''DPRscore'') which relates to the likelihood of a spectrum resembling typical spectra of serum from donors, who either do or don't suffer from the particular disease under investigation, respectively.…”
Signatures of Bovine Spongiform Encephalopathy (BSE) have been identified in serum by means of ''Diagnostic Pattern Recognition (DPR)''. For DPR-analysis, mid-infrared spectroscopy of dried films of 641 serum samples was performed using disposable silicon sample carriers and a semi-automated DPR research system operating at room temperature. The combination of four mathematical classification approaches (principal component analysis plus linear discriminant analysis, robust linear discriminant analysis, artificial neural network, support vector machine) allowed for a reliable assignment of spectra to the class ''BSEpositive'' or ''BSE-negative''. An independent, blinded validation study was carried out on a second DPR research system at the Veterinary Laboratory Agency, Weybridge, UK. Out of 84 serum samples originating from terminally-ill, BSE-positive cattle, 78 were classified correctly. Similarly, 73 out of 76 BSE-negative samples were correctly identified by DPR such that, numerically, an accuracy of 94.4 % can be calculated. At a confidence level of 0.95 (a~0.05) these results correspond to a sensitivity w 85% and a specificity w 90%. Identical class assignment by all four classifiers occurred in 75% of the cases while ambiguous results were obtained in only 8 of the 160 cases. With an area under the ROC (receiver operating charateristics) curve of 0.991, DPR may potentially supply a valuable surrogate marker for BSE even in cases in which a deliberate bias towards improved sensitivity or specificity is desired. To the best of our knowledge, DPR is the first andup to now-only method which has demonstrated its capability of detecting BSE-related signatures in serum.
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