High performance liquid chromatography(HPLC) is one of the analytical techniques used most frequently. Its chief limitation lies in the need to avoid the overlap of chromatographic peaks as much as possible. In this p...High performance liquid chromatography(HPLC) is one of the analytical techniques used most frequently. Its chief limitation lies in the need to avoid the overlap of chromatographic peaks as much as possible. In this paper, the overlapped chromatograms and spectra system of 1-chloro-2,4-dinitrobenzene and 3,5-dinitrobenzoic acid in the presence of 2,4-dinitrobenzoic acid were resolved by using the alternating trilinear decomposition(ATLD) combined with HPLC-DAD. Moreover, both were determined simultaneously, whose recoveries were(102.1±2.2)% and(97.6±3.6)%, respectively. The satisfactory results show that this experiment can be easily performed without paying out time-consuming and complicated procedures and quantifying accurately. It revealed the ATLD algorithm was one of the approaches to solve second-order calibration problem in HPLC-DAD.展开更多
为了寻求一种快速判别浓香型白酒储存时间的方法,本研究结合化学计量学方法对三个不同年份的浓香型白酒样本进行检测。利用主成分分析(PCA)、偏最小二乘判别分析(P L S-DA)两种化学计量学方法对光谱数据进行建模分析。实验结果表明,采用...为了寻求一种快速判别浓香型白酒储存时间的方法,本研究结合化学计量学方法对三个不同年份的浓香型白酒样本进行检测。利用主成分分析(PCA)、偏最小二乘判别分析(P L S-DA)两种化学计量学方法对光谱数据进行建模分析。实验结果表明,采用PCA方法时,从二维主成分图中难以对各样本进行判别;利用P L S-DA方法建立模型的训练集和测试集的正确识别率均达到100%。因此,采用P L S-DA方法能够对浓香型白酒陈酿时间进行判别分析。展开更多
文摘High performance liquid chromatography(HPLC) is one of the analytical techniques used most frequently. Its chief limitation lies in the need to avoid the overlap of chromatographic peaks as much as possible. In this paper, the overlapped chromatograms and spectra system of 1-chloro-2,4-dinitrobenzene and 3,5-dinitrobenzoic acid in the presence of 2,4-dinitrobenzoic acid were resolved by using the alternating trilinear decomposition(ATLD) combined with HPLC-DAD. Moreover, both were determined simultaneously, whose recoveries were(102.1±2.2)% and(97.6±3.6)%, respectively. The satisfactory results show that this experiment can be easily performed without paying out time-consuming and complicated procedures and quantifying accurately. It revealed the ATLD algorithm was one of the approaches to solve second-order calibration problem in HPLC-DAD.
文摘为了寻求一种快速判别浓香型白酒储存时间的方法,本研究结合化学计量学方法对三个不同年份的浓香型白酒样本进行检测。利用主成分分析(PCA)、偏最小二乘判别分析(P L S-DA)两种化学计量学方法对光谱数据进行建模分析。实验结果表明,采用PCA方法时,从二维主成分图中难以对各样本进行判别;利用P L S-DA方法建立模型的训练集和测试集的正确识别率均达到100%。因此,采用P L S-DA方法能够对浓香型白酒陈酿时间进行判别分析。
