Application to Classification of Mulberry Leaves using Multivariate Analysis of Proton NMR Metabolomic Data

Abstract

Recently, NMR-based metabolomic analysis has been used to acquire information based on differentiation among biological samples. In the present study, we examined whether multivariate analysis was able to be applied to natural products and/or material field. Each extraction of 24 leaf samples, divided into six locations from the tip of the stem in each of four strains, was analyzed by pattern recognition methods, known as Principal Component Analysis (PCA) and Soft Independent Modeling of Class Analogy (SIMCA). Twenty-four extracts from mulberry leaf showed independent spectra by 1 H NMR. The separation of leaf extraction data due to the difference at six locations was achieved in the PCA score plot as correlation PC1 (86.1%) and PC3 (4.6%) and showed two loading plots, suggesting classification by leaf position as an independent variable in the loading plot. Moreover, the difference among six locations clarified the seven highest discrimination powers by the SIMCA method. Meanwhile, the PCA score plot obtained classification by the variety of mulberry strains with three loading plots, but the SIMCA method did not give a peak by classification. Our findings demonstrate that NMR multivariate analysis was able to be applied to the classification of mulberry leaf extracts by leaf position and strain.

Plant metabolomics: a new strategy and tool for quality evaluation of Chinese medicinal materials

“…Through the detection of different compounds, different plant sites can be clearly distinguished [ 77 ]. Additionally, 1 HNMR combined with PCA and SIMCA was successfully used to identify the differences on compounds from 6 sites of mulberry leaf [ 78 ]. In recent years, a chemical profiling of seven parts of Clausena lansium was built by a non‐targeted UPLC‐Q‐Orbitrap‐MS metabolomic method.…”

Comparison of Artemisia annua Bioactivities between Traditional Medicine and Chemical Extracts

“…Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful analytical tool used to study the chemical composition of the extracts of a given sample [ 24 - 27 ]. NMR has been used intensively to search for drug candidates from natural products and for drug assessments [ 28 ], drug discovery [ 29 , 30 ], and structure-based drug design [ 31 ].…”

Application of Plant Metabonomics in Quality Assessment for Large-Scale Production of Traditional Chinese Medicine

“…Moreover, each extract from 24 mulberry leaf samples, divided into six locations from the tip of the stem in each of four strains, was analyzed via pattern recognition methods, including PCA and SIMCA. The 24 extracts from mulberry leaves showed independent spectra in 1 H-NMR analyses [43]. Aconitum carmichaelii Debx., another example for the application of plant metabonomics in the discrimination of different parts of herb plants, was studied by Sun et al [29].…”