演进特征投影和交替最小二乘法解析乙苯和二甲苯重叠色谱峰  

Resolution of overlapping chromatographic peaks of ethylbenzene and xylene using heuristic evolving latent projection and alternating least-squares

作　　者：倪永年[1] 朱衷榜[1] 

机构地区：[1]南昌大学化学系,江西南昌330045

出　　处：《计算机与应用化学》2006年第11期1049-1052,共4页Computers and Applied Chemistry

基　　金：国家自然科学基金(20562009)江西省自然科学基金(0620041)生物传感及化学计量学重点实验室基金(2005-22)

摘　　要：色谱法测定乙苯和二甲苯时,各组分色谱峰相互重叠而影响测定结果。本文用高效液相色谱联用二极管阵列检测器(HPLC-DAD)测定乙苯和二甲苯,采集7．20-8．53min,205-235nm范围内的二维色谱数据,再用直观推导式演进特征投影法(HELP)和交替最小二乘法(ALS)计算,依靠乙苯、二甲苯各异构体之间紫外吸收光谱的微小差异,解析它们的重叠色谱峰。各组分浓度在1-50μg/mL,浓度比为1∶10范围内的分辨结果令人满意,分辨下限为0．2μg/mL,该法成功地用于大气环境中乙苯和二甲苯异构体的测定。结果表明：HELP结合ALS适用于解析色谱严重重叠的多组分体系。The results were affected by overlapped chromatographic peaks in determination of ethylbenzene and xylene using chromatography. In this paper, ethylbenzene and xylene were determined ruing high performance liquid chromatography with diode array detection （ HPLC-DAD）, the two-dimensional HPLC-DAD datum in the range 7. 20 - 8. 53 min, 205 - 235 nm were collected and calculated by heuristic evolving latent projection （HELP） and alternating least-squares （ALS） technique, and the overlapping chromatographic peaks of ethylbenzene and xylene isomers were resolved based on the slight difference of their spectrum. The resolved results of four compounds are satisfactory in their concentration range 1 -50 μg/mL with concentration ratio range 1：10, the limit of detection （LOD） is 0. 2 μg/mL, this method was successfully applied in determination of ethylbenzene and xylene isomers in air environment. The results obtained show that HELP combined with ALS can be applied in resolution of seriously overlapped chromatographic peaks of multi-component system.

关 键 词：重叠色谱峰 直观推导式演进特征投影法 交替最小二乘法 乙苯 二甲苯 

分 类 号：O65[理学—分析化学]