Abstract

The purpose of this research is to develop original understanding of chemometric techniques in order to optimize concentration predictions from spectral data. We have developed an original formula to express partial least squares (PLS) and principal component regression (PCR) calibrations in a simple linear form and have derived an analytical expression for spectral error propagation through these algorithms in the limit of zero calibration error. We plan to extend this investigation to consider the propagation of errors in reference concentrations and in calibration spectra.

  Funding Agency

Agency
National Institute of Health (NIH)
Institute
National Center for Research Resources (NCRR)
Type
Biotechnology Resource Grants (P41)
Project #
2P41RR002594-11
Application #
5224205
Study Section
Project Start
Project End
Budget Start
Budget End
Support Year
11
Fiscal Year
1996
Total Cost
Indirect Cost

  Publications

Shih, Wei-Chuan; Bechtel, Kate L; Rebec, Mihailo V (2015) Noninvasive glucose sensing by transcutaneous Raman spectroscopy. J Biomed Opt 20:051036
Lau, Condon; Mirkovic, Jelena; Yu, Chung-Chieh et al. (2013) Early detection of high-grade squamous intraepithelial lesions in the cervix with quantitative spectroscopic imaging. J Biomed Opt 18:76013
Soares, Jaqueline S; Barman, Ishan; Dingari, Narahara Chari et al. (2013) Diagnostic power of diffuse reflectance spectroscopy for targeted detection of breast lesions with microcalcifications. Proc Natl Acad Sci U S A 110:471-6
Dudzik, Jonathan; Chang, Wen-Chi; Kannan, A M et al. (2013) Cross-linked glucose oxidase clusters for biofuel cell anode catalysts. Biofabrication 5:035009
Sathyavathi, R; Dingari, Narahara Chari; Barman, Ishan et al. (2013) Raman spectroscopy provides a powerful, rapid diagnostic tool for the detection of tuberculous meningitis in ex vivo cerebrospinal fluid samples. J Biophotonics 6:567-72
Dingari, Narahara Chari; Barman, Ishan; Saha, Anushree et al. (2013) Development and comparative assessment of Raman spectroscopic classification algorithms for lesion discrimination in stereotactic breast biopsies with microcalcifications. J Biophotonics 6:371-81
Cooper, Kimberly L; Oh, Seungeun; Sung, Yongjin et al. (2013) Multiple phases of chondrocyte enlargement underlie differences in skeletal proportions. Nature 495:375-8
Sung, Yongjin; Tzur, Amit; Oh, Seungeun et al. (2013) Size homeostasis in adherent cells studied by synthetic phase microscopy. Proc Natl Acad Sci U S A 110:16687-92
Byun, HeeSu; Hillman, Timothy R; Higgins, John M et al. (2012) Optical measurement of biomechanical properties of individual erythrocytes from a sickle cell patient. Acta Biomater 8:4130-8
Dingari, Narahara Chari; Barman, Ishan; Myakalwar, Ashwin Kumar et al. (2012) Incorporation of support vector machines in the LIBS toolbox for sensitive and robust classification amidst unexpected sample and system variability. Anal Chem 84:2686-94

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