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Clinical and Diagnostic Laboratory Immunology, March 1998, p. 146-159, Vol. 5, No. 2
1071-412X/98/$04.00+0
Copyright © 1998, American Society for Microbiology. All rights reserved.
Cryptococcus neoformans Chemotyping by Quantitative
Analysis of 1H Nuclear Magnetic Resonance Spectra of
Glucuronoxylomannans with a Computer-Simulated Artificial
Neural Network
Robert
Cherniak,1,*
Homayoun
Valafar,2
Laura C.
Morris,1 and
Faramarz
Valafar2
Department of Chemistry, Laboratory for
Biological and Chemical Sciences, Georgia State University,
Atlanta,1 and
Complex Carbohydrate
Research Center, University of Georgia, Athens,2
Georgia
Received 15 September 1997/Returned for modification 11 December
1997/Accepted 30 December 1997
The complete assignment of the proton chemical shifts obtained by
nuclear magnetic resonance (NMR) spectroscopy of de-O-acetylated glucuronoxylomannans (GXMs) from Cryptococcus neoformans
permitted the high-resolution determination of the total structure of
any GXM. Six structural motifs based on an
-(1
3)-mannotriose
substituted with variable quantities of 2-O-
- and
4-O-
-xylopyranosyl and 2-O-
-glucopyranosyluronic acid were identified.
The chemical shifts of only the anomeric protons of the mannosyl
residues served as structure reporter groups (SRG) for the
identification and quantitation of the six triads present in any GXM.
The assigned protons for the mannosyl residues resonated at clearly
distinguishable positions in the spectrum and supplied all the
information essential for the assignment of the complete GXM structure.
This technique for assigning structure is referred to as the SRG
concept. The SRG concept was used to analyze the distribution of the
six mannosyl triads of GXMs obtained from 106 isolates of C. neoformans. The six mannosyl triads occurred singularly or in
combination with one or more of the other triads. The identification
and quantitation of the SRG were simplified by using a
computer-simulated artificial neural network (ANN) to automatically
analyze the SRG region of the one-dimensional proton NMR spectra. The
occurrence and relative distribution of the six mannosyl triads were
used to chemotype C. neoformans on the basis of subtle
variations in GXM structure determined by analysis of the SRG region of
the proton NMR spectrum by the ANN. The data for the distribution of
the six SRGs from GXMs of 106 isolates of C. neoformans
yielded eight chemotypes, Chem1 through Chem8.
*
Corresponding author. Mailing address: Department of
Chemistry, Georgia State University, University Plaza, Atlanta, GA
30303. Phone: (404) 651-3868. Fax: (404) 651-1416. E-mail:
cherniak{at}gsu.edu.
Clinical and Diagnostic Laboratory Immunology, March 1998, p. 146-159, Vol. 5, No. 2
1071-412X/98/$04.00+0
Copyright © 1998, American Society for Microbiology. All rights reserved.
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