Nucleus of Bioassays, Biosynthesis and Ecophysiology of Natural Products, São Paulo State University Chemistry Institute, Department of Organic Chemistry, Rua Prof. Francisco Degni no 55 - CP355, 14800-900, Araraquara, São Paulo, Brazil.
Phytochem Anal. 2013 Jul-Aug;24(4):401-6. doi: 10.1002/pca.2423. Epub 2013 Mar 10.
Jatropha gossypifolia has been used quite extensively by traditional medicine for the treatment of several diseases in South America and Africa. This medicinal plant has therapeutic potential as a phytomedicine and therefore the establishment of innovative analytical methods to characterise their active components is crucial to the future development of a quality product.
To enhance the chromatographic resolution of HPLC-UV-diode-array detector (DAD) experiments applying chemometric tools.
Crude leave extracts from J. gossypifolia were analysed by HPLC-DAD. A chromatographic band deconvolution method was designed and applied using interval multivariate curve resolution by alternating least squares (MCR-ALS).
The MCR-ALS method allowed the deconvolution from up to 117% more bands, compared with the original HPLC-DAD experiments, even in regions where the UV spectra showed high similarity. The method assisted in the dereplication of three C-glycosylflavones isomers: vitexin/isovitexin, orientin/homorientin and schaftoside/isoschaftoside.
The MCR-ALS method is shown to be a powerful tool to solve problems of chromatographic band overlapping from complex mixtures such as natural crude samples.
麻疯树在南美洲和非洲被传统医学广泛用于治疗多种疾病。这种药用植物具有植物药的治疗潜力，因此建立创新的分析方法来描述其活性成分对于未来高质量产品的开发至关重要。
应用化学计量学工具提高高效液相色谱-紫外-二极管阵列检测器（DAD）实验的色谱分辨率。
采用 HPLC-DAD 分析麻疯树的粗叶提取物。设计并应用了基于交替最小二乘法（MCR-ALS）的间隔多变量曲线分辨法进行色谱带解卷积。
与原始的 HPLC-DAD 实验相比，MCR-ALS 方法允许对多达 117%的更多谱带进行解卷积，即使在 UV 光谱显示高度相似的区域也是如此。该方法有助于鉴定三种 C-糖苷黄酮异构体：牡荆素/异牡荆素、荭草苷/同荭草苷和梓醇苷/异梓醇苷。
MCR-ALS 方法是解决复杂混合物（如天然粗提物）中色谱带重叠问题的有力工具。
