Optical Spectra from Chemical Titration: An Analysis by SVD
Author:
- Richard I. ShragerRSRichard I. Shrager
- 1 September 1984
- journal article
- Published by Society for Industrial & Applied Mathematics (SIAM) in SIAM Journal on Algebraic Discrete Methods
- Vol. 5 (3) , 351-358
Abstract
Given an unknown chemical mixture to which a known substance is being added, a chemist may wish to determine a) how many substances in the mixture are reacting, b) the physical (e.g. thermodynamic) properties of each, and c) what each substance is, or at least some physical identifier of it (e.g. an optical spectrum). We will describe a method using singular value decomposition (SVD) that has been applied to a variety of such problems, ranging from the analysis of simple inorganic mixtures to the examination of mitochondrial membranes of mammalian cells. A simulated chemical example will be used to illustrate the method, and to test the effect of matrix condition on the results. Flexibility of the method and techniques of noise detection will also be discussed.Keywords
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