This subproject is one of many research subprojects utilizing theresources provided by a Center grant funded by NIH/NCRR. The subproject andinvestigator (PI) may have received primary funding from another NIH source,and thus could be represented in other CRISP entries. The institution listed isfor the Center, which is not necessarily the institution for the investigator.Raman spectroscopy provides quantitative spectral information about sample composition. The presence of noise and multiple overlapping components complicates attempts to use Raman peak intensities for accurate quantitative analysis. Thus, multivariate analysis is often implemented to extract quantitative information from Raman spectra. The concentration uncertainty resulting from chemometric analysis is typically assessed by comparison to a reference measurement. Reference measurements have the disadvantage of introducing an additional source of error, contained in the reference concentration. Further, in many biologic samples, such as tissue, obtaining reference concentrations is not straightforward. We have derived an analytical formula that estimates the uncertainty in concentrations predicted by linear multivariate calibration, applicable to both Raman and fluorescence spectroscopy. The expression is a function of the signal to noise ratio and the model spectral overlap. The first term is the signal to noise ratio of the target chemical. It is determined by the integrated signal (norm) of the component of interest at unit concentration and the noise (standard deviation) in the data set. The second term describes the effect of overlap in model basis spectra. The spectral overlap is affected by the similarity of the components in the model, the resolution of the spectral data, and the spectral range of the data. The analytical formula is expressed in terms of easily quantifiable experimental parameters and is straightforward to evaluate. The ability to make predictions concerning the concentration uncertainty is valuable to the process of developing and refining analytical measurements.

Agency
National Institute of Health (NIH)
Institute
National Center for Research Resources (NCRR)
Type
Biotechnology Resource Grants (P41)
Project #
5P41RR002594-23
Application #
7722789
Study Section
Special Emphasis Panel (ZRG1-SBIB-L (40))
Project Start
2008-06-01
Project End
2009-05-31
Budget Start
2008-06-01
Budget End
2009-05-31
Support Year
23
Fiscal Year
2008
Total Cost
$28,579
Indirect Cost
Name
Massachusetts Institute of Technology
Department
Internal Medicine/Medicine
Type
Schools of Arts and Sciences
DUNS #
001425594
City
Cambridge
State
MA
Country
United States
Zip Code
02139
Shih, Wei-Chuan; Bechtel, Kate L; Rebec, Mihailo V (2015) Noninvasive glucose sensing by transcutaneous Raman spectroscopy. J Biomed Opt 20:051036
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
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
Kim, Youngchan; Higgins, John M; Dasari, Ramachandra R et al. (2012) Anisotropic light scattering of individual sickle red blood cells. J Biomed Opt 17:040501
Saha, Anushree; Barman, Ishan; Dingari, Narahara Chari et al. (2012) Precision of Raman spectroscopy measurements in detection of microcalcifications in breast needle biopsies. Anal Chem 84:6715-22

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