{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,4]],"date-time":"2026-10-04T11:11:14Z","timestamp":1791112274622,"version":"4.1.0"},"reference-count":31,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2014,2,4]],"date-time":"2014-02-04T00:00:00Z","timestamp":1391472000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Phytochemical Analysis"],"published-print":{"date-parts":[[2014,7]]},"abstract":"<jats:title>ABSTRACT<\/jats:title><jats:sec><jats:title>Introduction<\/jats:title><jats:p>Nuclear magnetic resonance (NMR) is one of the most commonly used analytical techniques in plant metabolomics. Although this technique is very reproducible and simple to implement, sample preparation procedures have a great impact on the quality of the metabolomics data.<\/jats:p><\/jats:sec><jats:sec><jats:title>Objective<\/jats:title><jats:p>Investigation of different sample preparation methods and establishment of an optimised protocol for untargeted NMR\u2010based metabolomics of <jats:italic>Vitis vinifera<\/jats:italic> L. wood samples.<\/jats:p><\/jats:sec><jats:sec><jats:title>Methods<\/jats:title><jats:p>Wood samples from two different cultivars of <jats:italic>V. vinifera<\/jats:italic> with well\u2010defined phenotypes (Gamaret and 2091) were selected as reference materials. Different extraction solvents (successively, dichloromethane, methanol and water, as well as ethyl acetate and 7:3 methanol\u2010water (v\/v)) and deuterated solvents (methanol\u2010<jats:italic>d<\/jats:italic>4, 7:3 chloroform\u2010<jats:italic>d<\/jats:italic>\u2010methanol\u2010<jats:italic>d<\/jats:italic>4 (v\/v), dimethylsulphoxide\u2010<jats:italic>d<\/jats:italic>6 and 9:1 dimethylsulphoxide\u2010<jats:italic>d<\/jats:italic>6\u2010water\u2010<jats:italic>d<\/jats:italic>2 (v\/v)) were evaluated for NMR acquisition, and the spectral quality was compared. The optimal extract concentration, chemical shift stability and peak area repeatability were also investigated.<\/jats:p><\/jats:sec><jats:sec><jats:title>Results<\/jats:title><jats:p>Ethyl acetate was found to be the most satisfactory solvent for the extraction of all representative chemical classes of secondary metabolites in <jats:italic>V. vinifera<\/jats:italic> wood. The optimal concentration of dried extract was 10 mg\/mL and 7:3 chloroform\u2010<jats:italic>d<\/jats:italic>\u2010methanol\u2010<jats:italic>d<\/jats:italic>4 (v\/v) was the most suitable solvent system for NMR analysis. Multivariate data analysis was used to estimate the biological variation and clustering between different cultivars.<\/jats:p><\/jats:sec><jats:sec><jats:title>Conclusion<\/jats:title><jats:p>Close attention should be paid to all required procedures before NMR analysis, especially to the selection of an extraction solvent and a deuterated solvent system to perform an extensive metabolomic survey of the specific matrix. Copyright \u00a9 2014 John Wiley &amp; Sons, Ltd.<\/jats:p><\/jats:sec>","DOI":"10.1002\/pca.2497","type":"journal-article","created":{"date-parts":[[2014,2,4]],"date-time":"2014-02-04T17:26:06Z","timestamp":1391534766000},"page":"350-356","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":30,"title":["Sample Preparation Issues in NMR\u2010based Plant Metabolomics: Optimisation for <i>Vitis<\/i> Wood Samples"],"prefix":"10.1002","volume":"25","author":[{"given":"Maria","family":"Halabalaki","sequence":"first","affiliation":[{"name":"Division of Pharmacognosy and Natural Products Chemistry, Department of Pharmacy University of Athens  Panepistimiopolis Zografou 15771 Athens Greece"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Samuel","family":"Bertrand","sequence":"additional","affiliation":[{"name":"School of Pharmaceutical Sciences, EPGL University of Geneva, University of Lausanne  Quai Ernest\u2010Ansermet 30 CHFig.211 Geneva 4 Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anna","family":"Stefanou","sequence":"additional","affiliation":[{"name":"Division of Pharmacognosy and Natural Products Chemistry, Department of Pharmacy University of Athens  Panepistimiopolis Zografou 15771 Athens Greece"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Katia","family":"Gindro","sequence":"additional","affiliation":[{"name":"Swiss Federal Research Station AgroscopeChangins\u2010W\u00e4denswil  Route de Duillier, P.O. 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