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与计算保留时间预测相结合的正交函数组标记,用于在植物油中发现 furan 脂肪酸
Hua-Ming Xiao1, Xiao-Hui Peng2, Shuai Zhao3
1School of Bioengineering and Health, Wuhan Textile University, Wuhan 430200, China; Oil Crops Research Institute of the Chinese Academy of Agricultural Sciences, Wuhan 430062, China.
这项研究提出了一种新的方法,用于识别植物油中的 furan 脂肪酸 (FuFAs),使用化学标记和保留时间预测. 虽然没有发现FUFA,但这种方法有效地减少了查中的假阳性.
科学领域:
- 分析化学 分析化学
- 食品化学 食品化学
- 生物化学 生物化学
背景情况:
- 脂肪酸 (FuFAs) 具有有益的抗氧化和抗炎性质,可能降低心血管疾病风险.
- 由于FuFA化学标准的有限可用性及其不稳定性,对准确的识别构成了挑战.
- 现有的结构阐明方法对于植物油等复杂矩阵中非向选的FuFAs是无效的.
研究的目的:
- 开发和验证一种新的方法来识别植物油样本中的潜在的自由FUFA.
- 将直角函数组标记与计算保留时间 (RT) 预测相结合,以加强选.
- 为了减轻FuFA结构阐明的虚假阳性结果,特别是在没有化学标准的情况下.
主要方法:
- 采用直接凝结反应使用1 - 环-3 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 碳二胺基 (CMCT) 和4--3H-1,2,4-三-3,5 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 4H) - - (PTAD) 来标记环和基.
- 利用液态色谱-质谱法 (LC-MS) 来分析衍生化合物及其碎片化模式.
- 开发了C8:0-C20:0脂肪酸范围内的假定FuFAs的计算保留时间 (RT) 预测模型.
主要成果:
- 在CMCT和PTAD衍生品中显示出不同的RT和特有的质谱碎片化模式 (CMCT的[M-101.0841]+,PTAD的[M-125.0841]+;PTAD的[M-43.9898]-).
- 计算RT预测有助于在植物油中的常见脂肪酸中绘制潜在的FuFA区域.
- 选方法成功识别了潜在的FuFA特征,大大减少了假阳性.
结论:
- 组合的标记和RT预测策略为复杂样本中选潜在的FuFAs提供了一个强大的方法.
- 这项试点研究表明,在没有化学标准的结构阐明过程中,该程序有效减少虚假阳性.
- 虽然在调查样本中没有检测到任何自由的FuFA,但开发的方法为未来的FuFA研究提供了有价值的工具.
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