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Determination of volatile components in ginger using gas chromatography-mass spectrometry with resolution improved by data processing techniques

机译:气相色谱-质谱法测定生姜中的挥发性成分,数据处理技术提高了分离度

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摘要

Ginger is widely used as either a food product or an herbal medicine in the world. In this paper, a method was developed for determining volatile components in essential oils from both dried and fresh ginger by use of gas chromatography- mass spectrometry (GC-MS) and chemometric approaches. With the resolution improvement by chemometric methods upon two-dimensional data from GC-MS, the drifting baseline can be corrected. In addition, the peak purity can be assessed and the number of chemical components and their stepwise elution in the peak clusters can be identified. The peak clusters investigated are then resolved into pure chromatograms and related mass spectra for each of the components involved. Finally, with the pure chromatograms and related mass spectra obtained, the chemical components can be qualitatively identified based on the similarity searches in the MS databases and the chromatographic retention times. Quantitative determination can be conducted using the overall volume integration approach. The results showed that 140 and 136 components were separated and that 74 and 75 of them were tentatively identified, which accounted for about 62.82 and 47.11% of the total relative content for dried and fresh ginger, respectively. In comparison with the chromatographic fingerprints of essential oils from dried and fresh ginger, 60 of the volatile components determined match with each other. The study demonstrated that the use of chemometric resolution based on two-dimensional data can mathematically enhance the separation ability of GC-MS and assist qualitative and quantitative determination of chemical components separated from complicated practical systems such as foods, herbal medicines, and environmental samples.
机译:生姜在世界范围内被广泛用作食品或草药。在本文中,开发了一种通过气相色谱-质谱(GC-MS)和化学计量学方法测定干姜和鲜姜中精油中挥发性成分的方法。通过化学计量学方法对来自GC-MS的二维数据的分辨率的改进,可以校正漂移基线。此外,可以评估峰纯度,还可以确定峰簇中化学成分的数量及其逐步洗脱。然后将所研究的峰簇解析为每个所涉及成分的纯色谱图和相关的质谱图。最后,使用获得的纯色谱图和相关质谱图,可以基于MS数据库中的相似性搜索和色谱保留时间定性鉴定化学成分。可以使用整体体积积分方法进行定量测定。结果表明,分离出140和136个成分,并初步鉴定出其中的74个和75个,分别占干姜和鲜姜总相对含量的62.82%和47.11%。与来自干姜和新鲜姜的精油的色谱指纹图谱相比,确定的60种挥发性成分相互匹配。研究表明,基于二维数据的化学计量分辨率的使用可以在数学上增强GC-MS的分离能力,并有助于定性和定量确定从复杂的实际系统(例如食品,草药和环境样品)中分离出的化学成分。

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