高等学校化学学报
高等學校化學學報
고등학교화학학보
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES
2010年
1期
38-45
,共8页
赵蕊%欧阳捷%杜树山%耿珠峰%许美凤%邓志威
趙蕊%歐暘捷%杜樹山%耿珠峰%許美鳳%鄧誌威
조예%구양첩%두수산%경주봉%허미봉%산지위
核磁共振%化学指纹识别%主成分分析%茶叶
覈磁共振%化學指紋識彆%主成分分析%茶葉
핵자공진%화학지문식별%주성분분석%다협
NMR spectroscopy%Chemical finger-print%Principle component analysis%Tea
根据指纹识别实验对样品的要求, 以 ~1H NMR和主成分分析(PCA)为测试与评估手段, 对茶叶中化学成分提取条件的优化方法进行了研究. 针对生物指纹识别实验中样本体系复杂及化学组分含量多等特点, 利用主成分分析对检测样品质控的多因素进行综合分析, 最终确立了茶叶中化学成分提取制备的实验条件. 利用所建立的样品制备程序对4种茶叶进行预处理和测试, 结果表明, 所建立的方法稳定、可靠, 可以满足茶叶代谢物 ~1H NMR指纹识别研究的要求. 本文所提出的优化方法简单可靠, 可用于复杂样本体系标准样品预处理方法的建立.
根據指紋識彆實驗對樣品的要求, 以 ~1H NMR和主成分分析(PCA)為測試與評估手段, 對茶葉中化學成分提取條件的優化方法進行瞭研究. 針對生物指紋識彆實驗中樣本體繫複雜及化學組分含量多等特點, 利用主成分分析對檢測樣品質控的多因素進行綜閤分析, 最終確立瞭茶葉中化學成分提取製備的實驗條件. 利用所建立的樣品製備程序對4種茶葉進行預處理和測試, 結果錶明, 所建立的方法穩定、可靠, 可以滿足茶葉代謝物 ~1H NMR指紋識彆研究的要求. 本文所提齣的優化方法簡單可靠, 可用于複雜樣本體繫標準樣品預處理方法的建立.
근거지문식별실험대양품적요구, 이 ~1H NMR화주성분분석(PCA)위측시여평고수단, 대다협중화학성분제취조건적우화방법진행료연구. 침대생물지문식별실험중양본체계복잡급화학조분함량다등특점, 이용주성분분석대검측양품질공적다인소진행종합분석, 최종학립료다협중화학성분제취제비적실험조건. 이용소건립적양품제비정서대4충다협진행예처리화측시, 결과표명, 소건립적방법은정、가고, 가이만족다협대사물 ~1H NMR지문식별연구적요구. 본문소제출적우화방법간단가고, 가용우복잡양본체계표준양품예처리방법적건립.
A certain pattern recognition method was suggested to optimize the experimental conditions of the sample pretreatment for chemical finger-print experiments. ~1H NMR plus Principle component analysis(PCA) were used as the testing and evaluating means, considering that the test samples of finger-print experiments usually consist of multi-components. The data exposed in ~1H NMR spectra were wholly involved in PCA to provide the predictable information for the design of the sample pretreatment. With this sleight, we optimized the experimental conditions such as the prescription of extraction solution, ratio between solution and sample, experimental temperature and extraction duration, and proposed a standard procedure of the sample pretreatment for ~1H NMR finger-print experiments of tea. Finally, the newly designed procedure was tested with four tea samples and the ~1H NMR spectra obtained were well matched the requirements of chemical finger-print experiments. The results show that this method is reliable and can be used in designing a standard procedure of sample pretreatments for complicated testing system.