Theoretical Prediction of Vibrational Circular Dichroism Spectra of SugarsC(n)H(2n)O(n) with n = 3, 4, and 5

摘要

A very important objective of the Advanced Technology Department at the U.S. ArmyEdgewood Research, Development and Engineering Center is the remote detection of biological materials in the field. One line of thinking currently being followed is the recognition that sugars are distinguished features of biological materials. The identification of the sugar component of a biological contaminant could provide a unique signature of the biological material. This study reports on the theoretical prediction of the vibrational circular dichroism of the 3-, 4-, and 5-carbon sugars: D-glyceraldehyde, D-erythrose, D-threose, D-ribose, D-arabinose, D-xylose, and D-lyxose. The procedure involves mode frequencies and rotational strengths. D-Threose, D-Lyxose, D-Glyceraldehyde, D-Ribose, D-Arabinose, Vibrational circular dichroism. D-Xylose, D-Erythrose.