Chemometric analysis of ESIMS and NMR data from Piper species

• Published in: Journal of the Brazilian Chemical Society 2011-12, Vol.22 (12), p.2371-2382
• Main Authors: Yamaguchi, Lydia F., Freitas, Giovana C., Yoshida, Nidia C., Silva, Renata A., Gaia, Anderson M., Silva, Adalberto M., Scotti, Marcus T., Emerenciano, Vicente de P., Guimarães, Elsie F., Floh, Eny I. S., Colombo, Carlos A., Siqueira, Walter J., Kato, Massuo J.
• Format: Article
• Language: English
• Subjects: CHEMISTRY, MULTIDISCIPLINARY
• ISSN: 0103-5053; 1678-4790
• DOI: 10.1590/S0103-50532011001200019

The metabolomic profiling based on the application of multivariate analysis (principal component analysis, PCA) of positive mode electrospray ionization mass spectrometric (ESIMS) and ¹H nuclear magnetic resonance (NMR) data of crude extracts highlighted some species characterized by lignans (P. solmsianum, P. truncatum and P. cernuum), neolignans (P. regnellii) and chromenes (P. gaudichaudianum). A specific analysis focusing on species having pendant and globular inflorescences (P. caldense, P. carniconnectivum, P. bowiei and P. permucronatum) or amides-producing species indicated higher potential of the methodology in determining similarities and establishing priorities for further phytochemical investigation. Such intraspecific analysis applied to analyzed seedling leaves of the P. solmsianum, P. regnellii and P. gaudichaudianum species revealed the production of dillapiole and apiole instead of lignans, neolignans or prenylated benzoic acid, produced by the adult leaves, respectively. In case of amides-producing species, a similar profile was observed regardless the developmental stage.