Abstract

In Part I of this paper, a framework for multivariate selectivity was introduced that is both calculable from first principles and experimentally tractable. In this part, we employ the proposed selectivity framework for analyzing both <i>in vitro</i> and <i>in vivo</i> near-infrared experimental data. Two <i>in vitro</i> data sets are used to compare different methods for estimating selectivity and to demonstrate the benefits obtained from validation data with expanded interferant concentration ranges. The <i>in vitro</i> data also demonstrate that the experimentally estimated selectivities provide insights into the properties of the calibration models that are difficult or impossible to infer by other means. The merits of the proposed selectivity function are further demonstrated using a complex <i>in vivo</i> application: the noninvasive measurement of ethanol in humans. Results indicate that <i>in vivo</i> calibration model sensitivity, selectivity, and concentration correlations can be systematically interrogated using the proposed selectivity framework and judicious use of experimental measurements. These analyses not only provide selectivity and sensitivity information, but also the variance components of the total MSEP, which is invaluable information for both method development and analytical method characterization.

Intrinsic Raman spectroscopy for quantitative biological spectroscopy Part II: Experimental applications

Kate L. Bechtel, Wei-Chuan Shih, and Michael S. Feld
Opt. Express 16(17) 12737-12745 (2008)

Multi-scattering software part II: experimental validation for the light intensity distribution

David Frantz, Joakim Jönsson, and Edouard Berrocal
Opt. Express 30(2) 1261-1279 (2022)

Monte Carlo-based inverse model for calculating tissue optical properties. Part II: Application to breast cancer diagnosis

Gregory M. Palmer, Changfang Zhu, Tara M. Breslin, Fushen Xu, Kennedy W. Gilchrist, and Nirmala Ramanujam
Appl. Opt. 45(5) 1072-1078 (2006)

Multicomponent blood analysis by near-infrared Raman spectroscopy

Andrew J. Berger, Tae-Woong Koo, Irving Itzkan, Gary Horowitz, and Michael S. Feld
Appl. Opt. 38(13) 2916-2926 (1999)

Three-dimensional static speckle fields. Part II. Experimental investigation

Dayan Li, Damien P. Kelly, and John T. Sheridan
J. Opt. Soc. Am. A 28(9) 1904-1908 (2011)