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Quant_Lect_Spec_II - Untitled Document Page 1 of 3 Applied...

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Applied Spectrometry: Bioanalysis I. Simultaneous Multispecies Spectroscopy A. Simultaneous equations 1. One wavelength for each component. No statistical redundancy. 2. Isosbestic points for normalization. A(λ) = b(ε A [A] + ε B [B]) but if ε A = ε B then A(λ) = b ε C total . Think of α fractions from wet chemistry for a place where this is handy. B. Chemometrics: use N wavelengths for M components, N>M. Has statistical redundancy to suppress the effect of noise. 1. Understanding these methods requires knowledge of matrix algebra, which isn't in Harvey and isn't a pre-requisite for this course. 2. In the Real World, Principal Component Regression (on type of Chemometrics) is the preferred way to carry out this analysis. Just so you've seen the words, the procedure is: define a matrix Z based on the array of molar absorptivities ε such that Z = XV with V the M × M matrix of eigenvectors of ε . The transpose of a matrix is what happens if the rows and columns are interchanged, Z i,j T = Z j,i .
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