title: NMR-Based Metabolomic Study on Isatis tinctoria: Comparison of Different Accessions, Harvesting Dates, and the Effect of Repeated Harvesting.
abstract: Isatis tinctoria is an ancient dye and medicinal plant with potent anti-inflammatory and antiallergic properties. Metabolic differences were investigated by NMR spectroscopy of accessions from different origins that were grown under identical conditions on experimental plots. For these accessions, metabolite profiles at different harvesting dates were analyzed, and single and repeatedly harvested plants were compared. Leaf samples were shock-frozen in liquid N2 immediately after being harvested, freeze-dried, and cryomilled prior to extraction. Extracts were prepared by pressurized liquid extraction with ethyl acetate and 70% aqueous methanol. NMR spectra were analyzed using a combination of different methods of multivariate data analysis such as principal component analysis (PCA), canonical analysis (CA), and k-nearest neighbor concept (k-NN). Accessions and harvesting dates were well separated in the PCA/CA/k-NN analysis in both extracts. Pairwise statistical total correlation spectroscopy (STOCSY) revealed unsaturated fatty acids, porphyrins, carbohydrates, indole derivatives, isoprenoids, phenylpropanoids, and minor aromatic compounds as the cause of these differences. In addition, the metabolite profile was affected by the repeated harvest regime, causing a decrease of 1,5-anhydroglucitol, sucrose, unsaturated fatty acids, porphyrins, isoprenoids, and a flavonoid.
authors.affiliation: †Division of Pharmaceutical Biology, Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, CH-4056 Basel, Switzerland.
authors.forename: Niels
authors.initials: N
authors.lastname: Guldbrandsen
authors.affiliation: ‡Laboratory of Pharmacognosy and Natural Products Chemistry, and Laboratory of Pharmaceutical Chemistry, School of Pharmacy, University of Athens, Panepistimioupoli, Zografou, 15771, Athens, Greece.
authors.forename: Sarantos
authors.initials: S
authors.lastname: Kostidis
authors.affiliation: §Bruker BioSpin, Silberstreifen, D-76287 Rheinstetten, Germany.
authors.forename: Hartmut
authors.initials: H
authors.lastname: Schäfer
authors.affiliation: †Division of Pharmaceutical Biology, Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, CH-4056 Basel, Switzerland.
authors.forename: Maria
authors.initials: M
authors.lastname: De Mieri
authors.affiliation: §Bruker BioSpin, Silberstreifen, D-76287 Rheinstetten, Germany.
authors.forename: Manfred
authors.initials: M
authors.lastname: Spraul
authors.affiliation: ‡Laboratory of Pharmacognosy and Natural Products Chemistry, and Laboratory of Pharmaceutical Chemistry, School of Pharmacy, University of Athens, Panepistimioupoli, Zografou, 15771, Athens, Greece.
authors.forename: Alexios-Leandros
authors.initials: AL
authors.lastname: Skaltsounis
authors.affiliation: ‡Laboratory of Pharmacognosy and Natural Products Chemistry, and Laboratory of Pharmaceutical Chemistry, School of Pharmacy, University of Athens, Panepistimioupoli, Zografou, 15771, Athens, Greece.
authors.forename: Emmanuel
authors.initials: E
authors.lastname: Mikros
authors.affiliation: †Division of Pharmaceutical Biology, Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, CH-4056 Basel, Switzerland.
authors.forename: Matthias
authors.initials: M
authors.lastname: Hamburger
mesh_terms: D003847:Deoxyglucose / Q000032:analysis; D005231:Fatty Acids, Unsaturated / Q000032:analysis; D005419:Flavonoids / Q000032:analysis; D031219:Isatis / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D055432:Metabolomics; D015394:Molecular Structure; D018515:Plant Leaves / Q000737:chemistry; D010946:Plants, Medicinal / Q000737:chemistry*; D011166:Porphyrins / Q000032:analysis; D013395:Sucrose / Q000032:analysis; D013729:Terpenes / Q000032:analysis
chemical_list: D005231:Fatty Acids, Unsaturated; D005419:Flavonoids; D011166:Porphyrins; D013729:Terpenes; C006584:1,5-anhydroglucitol; D013395:Sucrose; D003847:Deoxyglucose