紫外导数光谱结合PLS同时测定辣椒提取液中的辣椒素类物质和辣椒红素Simultaneous Determination of Capsaicinoids and Capsanthin in Chili Extract by Ultraviolet Derivative Spectroscopy Combined with PLS
张瑾,粟晖,李彤彤,姚志湘
摘要(Abstract):
采用微分对紫外光谱进行微分预处理,提高紫外光谱的分辨率,改善高相似度光谱的多元统计校正模型效果,以实现辣椒中高相似度紫外光谱的辣椒素、二氢辣椒素、辣椒红素含量的同时测定。对47份辣椒提取液样品的紫外光谱采用模拟双曲函数(simulated hyperbolic function, SH)卷积核算法进行微分预处理后,建立偏最小二乘(partial least squares, PLS)法多元校正模型,结果显示采用SH处理的2阶导数建立的PLS模型应用于3种物质预测的决定系数得到提高,与利用原始数据建立的PLS模型相比,预测集均方根误差(RMSEP)下降了40%~60%,其中辣椒素和二氢辣椒素的预测决定系数(R_P~2)分别提升至0.997 4和0.995 2,RMSEP分别下降了61.24%和56.43%。结果表明导数预处理有效提高了光谱信息密度,提升了模型定量性能。对比Savitzky-Golay(S-G)法和模拟双曲函数(simulated hyperbolic function, SH)法的预处理效果,后者的改善更明显。采用优化的模型同步跟踪辣椒提取和风味溶释过程,实现了辣椒素、二氢辣椒素、辣椒红素的实时测量,可便利地用于辣椒提取工艺的质量控制和风味研究。
关键词(KeyWords): 辣椒素;二氢辣椒素;辣椒红素;紫外光谱;模拟双曲函数;偏最小二乘
基金项目(Foundation): 广西自然科学基金联合专项项目(2024JJH20011)
作者(Author): 张瑾,粟晖,李彤彤,姚志湘
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