光谱相关色谱及其在中药色谱指纹图谱分析中的应用

基于相同的化学物质具有相同的光谱，在大多数情况下，同一样本的化学成分在同种类型的色谱柱上虽然保留时间不可能完全相同，但是洗脱的顺序应基本一致，提出光谱相关色谱的新概念。利用联用色谱的光谱信息与色谱信息，判断复杂中药色谱指纹图谱中的组分相关性和表征不同实验条件下所得的中药色谱指纹图谱，从而实现仪器的系统误差的化学计量学校准。     

Comprehensive evaluation of chemical stability of Xuebijing injection based on multiwavelength chromatographic fingerprints and multivariate chemometric techniques

A strategy for monitoring and analyzing the chemical stability of Xuebijing injection (XBJ) by multiwavelength chromatographic fingerprints and multivariate classification techniques is presented in this paper. Multiwavelength chromatographic fingerprints were constructed using chromatographic data obtained at four wavelengths (260, 280, 320, and 400?nm). The raw chromatography data were preprocessed by noise reduction, baseline correction, data normalization, and interval correlation optimized shifting (icoshift). Using this method, fingerprints of 166 samples of XBJ subjected to different forced degradation conditions (irradiation, high temperature, and a range of pH values) were properly represented. Forty-one chemical components were identified using the iPeak program. In addition, the identified peak area profiling of chemical components were used for multivariate classification analysis. Principal component analysis (PCA) and Ward’s method were used to classify different XBJ degradation samples. The PCA score plot showed that XBJ degradation samples were clustered into four groups, and the results are confirmed by Ward’s method. Ten key chemical markers under different degradation conditions were found and identified by counterpropagation artificial neural networks (CP-ANN), statistical t-tests, and UPLC-Q-TOF-MS. The results suggest that the proposed strategy could be successfully applied to the comprehensive analysis of complex chemical systems.     

Spectrum–effect relationship of antioxidant and anti-inflammatory activities of Laportea bulbifera based on multivariate statistical analysis

Laportea bulbifera, named Hong He Ma in Chinese, is a Chinese herbal medicine commonly used by the Miao nationality of China. In this study, 43 batches of L. bulbifera were collected from different origins in China. Ethanol, ethyl acetate and petroleum ether were used to prepare different extracts of the plant. UHPLC technique was used to establish the fingerprints, whereas DPPH assay and RAW264.7 inflammatory cell models were used to evaluate the antioxidant and anti-inflammatory activities, respectively. Moreover, the spectrum–effect relationship between relative peak area of common peaks and efficacy value was set up by multivariate statistical analysis. Furthermore, 10 batches were selected randomly for validation of those models. The results showed that ethyl acetate and petroleum ether extracts possess excellent antioxidant and anti-inflammatory activities, respectively. Peaks A₆ and A₇ demonstrated the greatest antioxidant activity, while peak A₁₇ showed the strongest anti-inflammatory activity. After a verified experiment, the result was obtained and illustrated that the spectrum–effect relationship which we established could reliably infer antioxidant and anti-inflammatory compounds of the Chinese herbal medicine.     

Utilizing AgNPt-SALDI to Classify Edible Oils by Multivariate Statistics of Triacylglycerol Profile

Edible oils are valuable sources of nutrients, and their classification is necessary to ensure high quality, which is essential to food safety. This study reports the establishment of a rapid and straightforward SALDI-TOF MS platform used to detect triacylglycerol (TAG) in various edible oils. Silver nanoplates (AgNPts) were used to optimize the SALDI samples for high sensitivity and reproducibility of TAG signals. TAG fingerprints were combined with multivariate statistics to identify the critical features of edible oil discrimination. Eleven various edible oils were discriminated using principal component analysis (PCA). The results suggested the creation of a robust platform that can examine food adulteration and food fraud, potentially ensuring high-quality foods and agricultural products.     

中药色谱指纹图谱组分保留时间漂移的校准

基于光谱相关色谱方法判断复杂中药色谱指纹图谱的组分相关性,实现同一中药样本在不同实验条件下所得的色谱指纹图谱的相同组分的色谱保留时间漂移的局部最小二乘校正,为合理评价指纹图谱的品质提供较为实用的工具。     

一种中药荧光指纹图谱的光谱图像构建方法

利用液晶光谱仪通过光谱成像法对黄柏和人参总皂甙进行了荧光光谱图像检测,采用滤波器与像素点定位联用的方法提取有效像素点,获取它们的荧光光谱图像,绘制了相应的中药荧光指纹图谱.结合欧氏距离的判定方法,将滤波器与像素点定位联用法、像素点优选法和背景差分算法所得的荧光指纹图谱进行比较,三种方法的差异由小到大的排序为滤波器与像素点定位联用法,背景差分算法,像素点优选法.说明滤波器与像素点定位联用法所得荧光指纹图谱稳定性最好,谱线最优.实验结果表明该方法可以用于构建中药荧光指纹图谱,从而提出了一种新的用于中药指纹图谱构建中提取有效像素点的可行方法.     

Imaging latent fingerprints by electrochemiluminescence

By exposing an electrode surface with a latent fingerprint to electrochemiluminescence (ECL)-generating luminophore, ECL is produced from the surface not covered by the fingerprint, generating a negative image. The fingerprint can also be pre-stained by luminophores, which generates ECL and yields a positive image (right). ITO=indium tin oxide.