LC-MS based global metabolite profiling of grapes: solvent extraction protocol optimisation

被引:67
作者
Theodoridis, Georgios [1 ]
Gika, Helen [1 ]
Franceschi, Pietro [1 ]
Caputi, Lorenzo [1 ]
Arapitsas, Panagiotis [1 ]
Scholz, Mattias [1 ]
Masuero, Domenico [1 ]
Wehrens, Ron [1 ]
Vrhovsek, Urska [1 ]
Mattivi, Fulvio [1 ]
机构
[1] IASMA Res & Innovat Ctr, Fdn Edmund Mach, Food Qual & Nutr Dept, I-38010 San Michele All Adige, Italy
关键词
Grape metabolome; LC/MS; Sample preparation; Metabolomics; Metabolite profiling; Time of flight mass spectrometer; HUMAN BLOOD-PLASMA; LIQUID-CHROMATOGRAPHY; SAMPLE PREPARATION; MASS-SPECTROMETRY; NMR; TISSUE; STRATEGIES; SEQUENCE; GENOME; PHASE;
D O I
10.1007/s11306-011-0298-z
中图分类号
R5 [内科学];
学科分类号
1002 ; 100201 ;
摘要
Optimal solvent conditions for grape sample preparation were investigated for the purpose of metabolite profiling studies, with the aim of obtaining as many features as possible with the best analytical repeatability. Mixtures of water, methanol and chloroform in different combinations were studied as solvents for the extraction of ground grapes. The experimental design used a two stage study to find the optimum extraction medium. The extracts obtained were further purified using solid phase extraction and analysed using a UPLC full scan TOF MS with both reversed phase and hydrophilic interaction chromatography. The data obtained were processed using data extraction algorithms and advanced statistical software for data mining. The results obtained indicated that a fairly broad optimal area for solvent composition could be identified, containing approximately equal amounts of methanol and chloroform and up to 20% water. Since the water content of the samples was variable, the robustness of the optimal conditions suggests these are appropriate for large scale profiling studies for characterisation of the grape metabolome.
引用
收藏
页码:175 / 185
页数:11
相关论文
共 42 条
[1]   Extraction and GC/MS analysis of the human blood plasma metabolome [J].
A, J ;
Trygg, J ;
Gullberg, J ;
Johansson, AI ;
Jonsson, P ;
Antti, H ;
Marklund, SL ;
Moritz, T .
ANALYTICAL CHEMISTRY, 2005, 77 (24) :8086-8094
[2]   1H NMR-based metabolomics combined with HPLC-PDA-MS-SPE-NMR for investigation of standardized Ginkgo biloba preparations [J].
Agnolet, Sara ;
Jaroszewski, Jerzy W. ;
Verpoorte, Robert ;
Staerk, Dan .
METABOLOMICS, 2010, 6 (02) :292-302
[3]   1H NMR-Based Metabonomics for the Classification of Greek Wines According to Variety, Region, and Vintage. Comparison with HPLC Data [J].
Anastasiadi, Maria ;
Zira, Athina ;
Magiatis, Prokopios ;
Haroutounian, Serkos A. ;
Skaltsounis, Alexios Leandros ;
Mikros, Emmanuel .
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2009, 57 (23) :11067-11074
[4]  
[Anonymous], 2010, R LANG ENV STAT COMP
[5]  
[Anonymous], METABOLOME ANAL INTR
[6]  
Boulton R.B., 1996, Principles and Practices of Winemaking
[7]   Evaluation of a protocol for metabolic profiling studies on human blood plasma by combined ultra-performance liquid chromatography/mass spectrometry: From extraction to data analysis [J].
Bruce, Stephen J. ;
Jonsson, Par ;
Antti, Henrik ;
Cloarec, Olivier ;
Trygg, Johan ;
Marklund, Stefan L. ;
Moritz, Thomas .
ANALYTICAL BIOCHEMISTRY, 2008, 372 (02) :237-249
[8]   Investigation of Human Blood Plasma Sample Preparation for Performing Metabolomics Using Ultrahigh Performance Liquid Chromatography/Mass Spectrometry [J].
Bruce, Stephen J. ;
Tavazzi, Isabelle ;
Parisod, Veronique ;
Rezzi, Serge ;
Kochhar, Sunil ;
Guy, Philippe A. .
ANALYTICAL CHEMISTRY, 2009, 81 (09) :3285-3296
[9]   The SSR-based molecular profile of 1005 grapevine (Vitis vinifera L.) accessions uncovers new synonymy and parentages, and reveals a large admixture amongst varieties of different geographic origin [J].
Cipriani, Guido ;
Spadotto, Alessandro ;
Jurman, Irena ;
Di Gaspero, Gabriele ;
Crespan, Manna ;
Meneghetti, Stefano ;
Frare, Enrica ;
Vignani, Rita ;
Cresti, Mauro ;
Morgante, Michele ;
Pezzotti, Mario ;
Pe, Enrico ;
Policriti, Alberto ;
Testolin, Raffaele .
THEORETICAL AND APPLIED GENETICS, 2010, 121 (08) :1569-1585
[10]   Selectivity and efficiency of different reversed-phase and mixed-mode sorbents to preconcentrate and isolate aroma molecules [J].
Cullere, Laura ;
Bueno, Monica ;
Cacho, Juan ;
Ferreira, Vicente .
JOURNAL OF CHROMATOGRAPHY A, 2010, 1217 (10) :1557-1566