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首页> 外文期刊>RSC Advances >Second-order calibration for the determination of fatty acids in pomegranate seeds by vortex-assisted extraction-dispersive liquid-liquid micro-extraction and gas chromatography-mass spectrometry
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Second-order calibration for the determination of fatty acids in pomegranate seeds by vortex-assisted extraction-dispersive liquid-liquid micro-extraction and gas chromatography-mass spectrometry

机译：通过涡旋辅助提取分散液 - 液 - 微 - 萃取和气相色谱 - 质谱法测定石榴种子中脂肪酸的二阶校准

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摘要

Multivariate curve resolution-alternating least squares (MCR-ALS) as a second-order calibration algorithm was proposed for the simultaneous analysis of eighteen fatty acid methyl esters (FAMEs) in a standard mixture and pomegranate seed sample using vortex-assisted extraction-dispersive liquid-liquid microextraction (VAE-DLLME), followed by gas chromatography-mass spectrometry (GC-MS). The chemometric resolution, identification and quantification of the target FAMEs in the standard mixture and real sample (i.e., the pomegranate seed) were carried out successfully in the presence of some uncalibrated interferences. The lack of fit (LOF) and reverse match factor (RMF) were used for the evaluation of the MCR-ALS results of the calibration samples. The LOF (%) and RMF values were in the ranges of 7.24-24.36 and 708-977, respectively. In addition, the regression coefficients (R-2) and relative errors (REs, %) of the calibration curves of different FAs were in the satisfactory range of 0.9934-0.9989 and 3.70-7.45, respectively. The application of the proposed strategy to the pomegranate seed extract showed that linoleic acid, oleic acid, palmitic acid, stearic acid and cis-11-eicosenoic acid were the main fatty acids in the pomegranate seed with concentrations of 9098.0, 4873.0, 3147.0, 1960.0 and 1019.0 mg kg(-1), respectively, and relative standard deviations (RSD, %) between 0.15 and 11.57. It is concluded that MCR-ALS combined with VAE-DLLME-GC-MS is a fast and simple strategy for the qualitative and quantitative analysis of complex samples such as natural products.
机译：将多变量曲线分辨率 - 交替的最小二乘（MCR-ALS）作为二阶校准算法，用于使用涡流辅助提取分散液体在标准混合物和石榴种子样品中同时分析18个脂肪酸甲酯（FAME） - 水分微萃取（VAE-DLLME），然后是气相色谱 - 质谱（GC-MS）。在标准混合物和真实样品中的靶腺体的化学计量分辨率，鉴定和定量成功地在一些未校准干扰的存在下成功进行。缺乏拟合（LOF）和反向匹配因子（RMF）用于评估校准样品的MCR-ALS结果。 LOF（％）和RMF值分别为7.24-24.36和708-977的范围。另外，不同FAS的校准曲线的回归系数（R-2）和相对误差（RE值）分别在0.9934-0.9989和3.70-7.45的令人满意的范围内。将提出的策略应用于石榴种子提取物，显示亚油酸，油酸，棕榈酸，硬脂酸和顺式-11-己二酸是石榴种子中的主要脂肪酸，浓度为9098.0,4873.0,3147.0，1960.0分别为1019.0mg kg（-1），以及0.15和11.57之间的相对标准偏差（RSD，％）。得出结论，MCR-ALS与VAE-DLLME-GC-MS相结合，是一种快速简便的策略，用于复杂样品如天然产物的定性和定量分析。

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