title: Classification of chondroitin sulfate A, chondroitin sulfate C, glucosamine hydrochloride and glucosamine 6 sulfate using chemometric techniques.
abstract: Chondroitin sulfate A, chondroitin sulfate C, glucosamine hydrochloride and glucosamine sulfate are natural products that are becoming increasingly popular in the treatment of arthritis. They belong to a class of compounds known as glycosaminoglycans (GAGs). They are available over the counter as nutritional supplements. However, increasing use has led to increasing scrutiny of the quality of products on the market. There is also interest in the pharmacological properties of these compounds. To facilitate this, there is a need for better qualitative and quantitative methods of analysis. This paper describes methods for achieving the qualitative identification of chondroitin sulfate A, chondroitin sulfate C, glucosamine hydrochloride or glucosamine sulfate. Fourier transform infrared spectroscopy coupled with a variety of chemometric methods successfully classified these compounds. Using soft independent modeling of class analogies (SIMCA), hierarchical cluster analysis (HCA) and principal components analysis (PCA) samples were classified as either chondroitin sulfate A, chondroitin sulfate C, glucosamine hydrochloride or glucosamine sulfate. This work also examined the discriminating ability of different sections of the spectrum. It was found that for the classification of these compounds that using the finger print region of the spectrum (below 2000 cm(-1)) gave the best discrimination.
authors.affiliation: Department of Chemistry Materials and Forensic Science, University of Technology, P.O. Box 123, Broadway 2007, Sydney, NSW, Australia. matthew.j.foot@uts.edu.au
authors.forename: M
authors.initials: M
authors.lastname: Foot
authors.forename: M
authors.initials: M
authors.lastname: Mulholland
mesh_terms: D002809:Chondroitin Sulfates / Q000032:analysis* / Q000145:classification; D016000:Cluster Analysis; D005944:Glucosamine / Q000031:analogs & derivatives / Q000032:analysis* / Q000145:classification; D006025:Glycosaminoglycans / Q000737:chemistry / Q000145:classification; D015394:Molecular Structure; D025341:Principal Component Analysis; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*
chemical_list: D006025:Glycosaminoglycans; D002809:Chondroitin Sulfates; D005944:Glucosamine