کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1200661 1493623 2013 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
An integral strategy toward the rapid identification of analogous nontarget compounds from complex mixtures
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
An integral strategy toward the rapid identification of analogous nontarget compounds from complex mixtures
چکیده انگلیسی


• We proposed a three-step strategy for identifying nontarget compounds from mixtures.
• Blank control sample was used to remove interferences in the complex matrixes.
• Automatic screening and family network building enhanced structural characterization.
• A quantitative structure retention relationship was built to differentiate isomers.
• Validated by two types of compounds proved the strategy is universally applicable.

Identification of nontarget compounds in complex mixtures is of significant importance in various scientific fields. On the basis of the universal property that the compounds in complex mixtures can be classified to various analogous families, this study presents a general strategy for the rapid identification of nontarget compounds from complex matrixes using herbal medicine as an example. The proposed strategy consists of three sequential steps. First, a blank control sample is prepared for the purpose of removing interferences in the complex matrixes via automatic chromatographic and mass spectrometric data comparisons. Second, the diagnostic ions guided bridging network strategy is developed for the rapid classification of analogous compounds and structural characterizations. Finally, a quantitative structure retention relationship (QSRR) is built to validate the identifications and to differentiate isomers. Using this strategy, we have successfully identified a total of 45 organic acids from Mai-Luo-Ning and Flos Lonicerae injection, and 46 ginsenosides from Shen-Mai injection samples. The QSRR approach enabled a successful differentiation of most isomers. The proposed strategy will be expected to be applicable to the identification of nontarget compounds in complex mixtures.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Chromatography A - Volume 1303, 16 August 2013, Pages 39–47
نویسندگان
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