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利用近红外光谱法测定葡萄籽中黄烷醇的可行性研究。

Feasibility study on the use of near infrared spectroscopy to determine flavanols in grape seeds.

机构信息

Grupo de Investigación en Polifenoles, Unidad de Nutrición y Bromatología, Facultad de Farmacia, Universidad de Salamanca, Campus Miguel de Unamuno, E 37007 Salamanca, Spain.

出版信息

Talanta. 2010 Oct 15;82(5):1778-83. doi: 10.1016/j.talanta.2010.07.063. Epub 2010 Aug 3.

Abstract

The potential of near infrared spectroscopy to determine the content of flavanols directly recording the infrared spectra of grape seeds has been evaluated. Moreover, the study shows the potential of this technique to obtain qualitative information related to the samples. In this case, the feasibility to discriminate between possible vineyards of origin has also been evaluated. Modified Partial Least Squares (MPLS) regression was used to develop the quantitative models in order to predict the content of flavanols. These models have been validated showing differences between 3.5% and 14.3% in the external validation. Moreover, Discriminant Partial Least Squares algorithm was used in the qualitative analysis to distinguish between two possible vineyards of origin and showed a high degree of accuracy. Prediction rates of samples correctly classified with a mean of 95% in internal validation and 97% in external validation were obtained. The procedure reported here seems to have an excellent potential for a fast and reasonably inexpensive analysis of these flavanols in grape seeds and could also be a tool to distinguish between possible vineyards of origin.

摘要

已经评估了近红外光谱法直接记录葡萄籽红外光谱来测定黄烷醇含量的潜力。此外,该研究还表明了该技术获得与样品相关的定性信息的潜力。在这种情况下,还评估了区分可能的葡萄种植园产地的可行性。为了建立定量模型来预测黄烷醇的含量,使用了改进的偏最小二乘法(MPLS)回归。这些模型经过验证,在外部验证中差异在 3.5%和 14.3%之间。此外,判别偏最小二乘法算法用于定性分析,以区分两个可能的葡萄种植园产地,并且具有很高的准确性。内部验证中,样本的预测率为 95%,外部验证中为 97%,样本被正确分类。这里报道的方法似乎具有快速、经济地分析葡萄籽中这些黄烷醇的巨大潜力,也可能是区分可能的葡萄种植园产地的工具。

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