title: Distinguishing Vaccinium species by chemical fingerprinting based on NMR spectra, validated with spectra collected in different laboratories.
abstract: A method was developed to distinguish Vaccinium species based on leaf extracts using nuclear magnetic resonance spectroscopy. Reference spectra were measured on leaf extracts from several species, including lowbush blueberry (Vaccinium angustifolium), oval leaf huckleberry (Vaccinium ovalifolium), and cranberry (Vaccinium macrocarpon). Using principal component analysis, these leaf extracts were resolved in the scores plot. Analysis of variance statistical tests demonstrated that the three groups differ significantly on PC2, establishing that the three species can be distinguished by nuclear magnetic resonance. Soft independent modeling of class analogies models for each species also showed discrimination between species. To demonstrate the robustness of nuclear magnetic resonance spectroscopy for botanical identification, spectra of a sample of lowbush blueberry leaf extract were measured at five different sites, with different field strengths (600 versus 700 MHz), different probe types (cryogenic versus room temperature probes), different sample diameters (1.7 mm versus 5 mm), and different consoles (Avance I versus Avance III). Each laboratory independently demonstrated the linearity of their NMR measurements by acquiring a standard curve for chlorogenic acid (R(2) = 0.9782 to 0.9998). Spectra acquired on different spectrometers at different sites classifed into the expected group for the Vaccinium spp., confirming the utility of the method to distinguish Vaccinium species and demonstrating nuclear magnetic resonance fingerprinting for material validation of a natural health product.
authors: Bruker BioSpin Corporation, Billerica, MA, USA.
authors: Michelle A
authors: MA
authors: Markus
authors: University of Ottawa, Ottawa, Ontario, Canada.
authors: Jonathan
authors: J
authors: Ferrier
authors: Bruker BioSpin Corporation, Billerica, MA, USA.
authors: Sarah M
authors: SM
authors: Luchsinger
authors: Bruker BioSpin Corporation, Billerica, MA, USA.
authors: Jimmy
authors: J
authors: Yuk
authors: Montreal Botanical Garden, Plant Biology Research Institute, Montreal, Canada.
authors: Alain
authors: A
authors: Cuerrier
authors: Institute of Economic Botany, The New York Botanical Garden, Bronx, NY, USA.
authors: Michael J
authors: MJ
authors: Balick
authors: Bruker BioSpin Corporation, Billerica, MA, USA.
authors: Joshua M
authors: JM
authors: Hicks
authors: Bruker BioSpin Corporation, Billerica, MA, USA.
authors: K Brian
authors: KB
authors: Killday
authors: Agriculture and Agri-Food Canada, Charlottetown, Prince Edward Island, Canada.
authors: Christopher W
authors: CW
authors: Kirby
authors: University of Prince Edward Island, Charlottetown, Prince Edward Island, Canada.
authors: Fabrice
authors: F
authors: Berrue
authors: University of Prince Edward Island, Charlottetown, Prince Edward Island, Canada.
authors: Russell G
authors: RG
authors: Kerr
authors: David H. Murdock Research Institute, Kannapolis, NC, USA.
authors: Kevin
authors: K
authors: Knagge
authors: University of Illinois at Chicago, Chicago, IL, USA.
authors: Tanja
authors: T
authors: Gödecke
authors: University of Illinois at Chicago, Chicago, IL, USA.
authors: Benjamin E
authors: BE
authors: Ramirez
authors: University of Illinois at Chicago, Chicago, IL, USA.
authors: David C
authors: DC
authors: Lankin
authors: University of Illinois at Chicago, Chicago, IL, USA.
authors: Guido F
authors: GF
authors: Pauli
authors: NRC Institute for Marine Biosciences, Halifax, Nova Scotia, Canada.
authors: Ian
authors: I
authors: Burton
authors: NRC Institute for Marine Biosciences, Halifax, Nova Scotia, Canada.
authors: Tobias K
authors: TK
authors: Karakach
authors: University of Ottawa, Ottawa, Ontario, Canada.
authors: John T
authors: JT
authors: Arnason
authors: Bruker BioSpin Corporation, Billerica, MA, USA.
authors: Kimberly L
authors: KL
authors: Colson
mesh_terms: D002726:Chlorogenic Acid / Q000592:standards; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D055432:Metabolomics; D010936:Plant Extracts / Q000737:chemistry / Q000302:isolation & purification*; D018515:Plant Leaves / Q000737:chemistry; D025341:Principal Component Analysis; D012015:Reference Standards; D013045:Species Specificity; D029796:Vaccinium / Q000737:chemistry* / Q000145:classification
chemical_list: D010936:Plant Extracts; D002726:Chlorogenic Acid