Retief Liezel, McKenzie Jean M, Koch Klaus R
Department of Chemistry and Polymer Science, Stellenbosch University, P Bag X1, Matieland, 7602, South Africa.
Magn Reson Chem. 2009 Sep;47(9):771-81. doi: 10.1002/mrc.2463.
Assignment of (13)C nuclear magnetic resonance (NMR) spectra of major fatty acid components of South African produced vegetable oils was attempted using a method in which the vegetable oil was spiked with a standard triacylglycerol. This proved to be inadequate and therefore a new rapid and potentially generic graphical linear correlation method is proposed for assignment of the (13)C NMR spectra of major fatty acid components of apricot kernel, avocado pear, grapeseed, macadamia nut, mango kernel and marula vegetable oils. In this graphical correlation method, chemical shifts of fatty acids present in a known standard triacylglycerol is plotted against the corresponding chemical shifts of fatty acids present in the vegetable oils. This new approach (under carefully defined conditions and concentrations) was found especially useful for spectrally crowded regions where significant peak overlap occurs and was validated with the well-known (13)C NMR spectrum of olive oil which has been extensively reported in the literature. In this way, a full assignment of the (13)C{1H} NMR spectra of the vegetable oils, as well as tripalmitolein was readily achieved and the resonances belonging to the palmitoleic acid component of the triacylglycerols in the case of macadamia nut and avocado pear oil resonances were also assigned for the first time in the (13)C NMR spectra of these oils.
尝试使用一种在植物油中加入标准三酰甘油的方法来确定南非产植物油主要脂肪酸成分的(13)C核磁共振(NMR)谱。结果证明这种方法并不充分,因此提出了一种新的快速且可能通用的图形线性相关方法,用于确定杏仁、鳄梨、葡萄籽、澳洲坚果、芒果核和马鲁拉植物油主要脂肪酸成分的(13)C NMR谱。在这种图形相关方法中,将已知标准三酰甘油中存在的脂肪酸的化学位移与植物油中存在的脂肪酸的相应化学位移作图。发现这种新方法(在仔细定义的条件和浓度下)对于出现明显峰重叠的光谱拥挤区域特别有用,并用文献中广泛报道的橄榄油的著名(13)C NMR谱进行了验证。通过这种方式,很容易实现植物油以及三棕榈油酸甘油酯的(13)C{1H} NMR谱的完全归属,并且在澳洲坚果和鳄梨油的(13)C NMR谱中,首次归属了三酰甘油中属于棕榈油酸成分的共振信号。