Rapid Quantitative Determination of Squalene in Shark Liver Oils by Raman and IR Spectroscopy

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• 作者：David W. Hall ; Susan N. Marshall ; Keith C. Gordon ; Daniel P. Killeen
• 关键词：Squalene ; Shark liver ; Raman ; Infrared ; Partial least squares regression ; Gas chromatography ; Mass spectrometry
• 刊名：Lipids
• 出版年：2016
• 出版时间：January 2016
• 年：2016
• 卷：51
• 期：1
• 页码：139-147
• 全文大小：986 KB
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• 作者单位：David W. Hall (1)
  Susan N. Marshall (1)
  Keith C. Gordon (2)
  Daniel P. Killeen (1)
  
  1. The New Zealand Institute for Plant and Food Research Limited, PO Box 5114, Nelson, 7010, New Zealand
  2. Department of Chemistry, University of Otago, P.O. Box 56, Dunedin, New Zealand
  
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Life Sciences
  Biochemistry
  Medicinal Chemistry
  Microbial Genetics and Genomics
  Nutrition
  Bioorganic Chemistry
  Medical Biochemistry
  
• 出版者：Springer Berlin / Heidelberg
• ISSN：1558-9307

文摘

Squalene is sourced predominantly from shark liver oils and to a lesser extent from plants such as olives. It is used for the production of surfactants, dyes, sunscreen, and cosmetics. The economic value of shark liver oil is directly related to the squalene content, which in turn is highly variable and species-dependent. Presented here is a validated gas chromatography-mass spectrometry analysis method for the quantitation of squalene in shark liver oils, with an accuracy of 99.0 %, precision of 0.23 % (standard deviation), and linearity of >0.999. The method has been used to measure the squalene concentration of 16 commercial shark liver oils. These reference squalene concentrations were related to infrared (IR) and Raman spectra of the same oils using partial least squares regression. The resultant models were suitable for the rapid quantitation of squalene in shark liver oils, with cross-validation r 2 values of >0.98 and root mean square errors of validation of ≤4.3 % w/w. Independent test set validation of these models found mean absolute deviations of the 4.9 and 1.0 % w/w for the IR and Raman models, respectively. Both techniques were more accurate than results obtained by an industrial refractive index analysis method, which is used for rapid, cheap quantitation of squalene in shark liver oils. In particular, the Raman partial least squares regression was suited to quantitative squalene analysis. The intense and highly characteristic Raman bands of squalene made quantitative analysis possible irrespective of the lipid matrix.