http://www.revistadechimie.ro REV.CHIM.(Bucharest)♦69♦No. 1 ♦2018 130 Fatty Acid Profile of New Varieties of Grape Seed Oils Based on NMR Data and Their Authentication MIHAELA TOCIU 1 , MARIA CRISTINA TODASCA 1 *, MIHAELA MIHALACHE 1 , VICTORIA ARTEM 2 , ANAMARIA HANGANU 3 1 University Politehnica of Bucharest, Faculty of Applied Chemistry and Materials Science, 1-7 Polizu Str., 011061, Bucharest, Romania 2 Research Centre for Viticulture and Enology Murfatlar (RCVE), 2 Bucuresti Str., Murfatlar, Constanta 3 Romanian Academy, Centre of Organic Chemistry Costin D. Nenitescu, 202B Splaiul Independentei, 060023, Bucharest, Romania Grape seeds from five known red grape sorts and two new local sorts, obtained by hybridization of red and white varieties, have been valorized as vegetal oils, through good yield extraction. The fatty acid content the of obtained oils was determined by GC-FID, as methyl esters, and directly by 1 H-NMR spectroscopy. The obtained grape seed oils have a high content in linoleic acid (over 70%) and a relatively low quantity of saturated fatty acid (stearic and palmitic). Both measurement methods gave similar results confirming the accuracy of the spectroscopic method, which is less time and reagent consuming. Based on the fatty acid profile (FAP) of the oils, determined by either FT-IR or 1 H-NMR and using the Principal Component Analysis (PCA) and Hierarchical Clustering Analysis (HCA) statistical methods, the discrimination between the classical known grape sorts and the new local varieties could be achieved. The results show that such method is appropriate for discovering possible adulteration of the grape oils, valuable products due to the essential unsaturated acid content. Keywords: grape seed oil, fatty acid profile, PCA, HCA, NMR spectroscopy Management and disposal of large amounts of wastes produced by the food-processing industry generate serious environmental problems [1]. The wastes resulting from the wine industry are a source of raw materials, which may be used to manufacture new valuable products. The wine industry wastes are of interest for us, as Romania is a known wine producer, being ranked in 2015 as twelfth at global and sixth at European level [2]. The grape seeds constitute a great part of the residue (~ 15%) resulted from wine production [3]. Converting such remaining materials into added-value bio-products represents a good a method to control wastes from wine industry. Such valorization is compulsory for a cost effective policy, as well as for environmental reasons [4]. A proper way of valorization seems to be the production of grape seed oils [5, 6]. The interest for these oils is due to their numerous applications, in various fields: pharmaceutical industry, cosmetics, cooking, etc. The oil extracted from grape seeds has exceptional therapeutic properties [7, 8] due to the high content of unsaturated fatty acids [9] together with significant quantities of polyunsaturated fatty acids. Also, the grape seed oil contains vitamin E with a known antioxidant activity [8], having neuroprotective and antitumor effects and being able to lower the cholesterol levels. This oil is rich in phytosterols that may exert anti- arteriosclerotic activity [10]. The aqueous extracts prepared from grape seeds may have antibacterial and antioxidant activities [11]. In this context, it is worthwhile mentioning that the determination of the authenticity of these oils is very important due to fraud affecting the well-being of consumers [12]. Adulteration of food products involves the replacement of high cost ingredients with lower grade and cheaper substitutes [13]. This paper aims to characterize a number of grape seed oils, according to the fatty acid profile (FAP), by chromatographic and spectroscopic methods. These oils have been obtained by extraction from different traditional red grape varieties: Burgund ( BU), Cabernet Sauvignon ( CS), Merlot ( ME), Pinot Noir ( PN) and Feteasca Neagra ( FN) as well as, new local varieties: Cristina ( CR) and Mamaia ( MA ), created at the Research Centre for Viticulture and Enology Murfatlar (RCVEM). The study was conducted in order to prove the efficiency of the extraction method and to compare the accuracy of the oil FAP resulted by different analytic methods. The FAP determination can also help to establish the grape variety, based on the PCA method [14] confirming the oil authenticity. Experimental part Material and methods The samples are represented by the grape seeds from 14 different samples of red authentic varieties - both traditional (international varieties: Burgund ( BU), Cabernet Sauvignon ( CS), Merlot ( ME), Pinot Noir ( PN) and national Romanian variety: Feteascã Neagrã ( FN)) as well as new local varieties: Cristina ( CR), Mamaia ( MA ), created at RCVE Murfatlar, were collected from the crops of years 2010 (samples marked with 1) and 2011 (samples marked with 2) of Murfatlar vineyard Dobrogea (a southeastern region of Romania). The seed samples were provided by Murfatlar Viticulture Research Station of Constanta, the RCVE Murfatlar. Before being processed seeds were cleaned of plant residues. Deuterated chloroform (CDCl 3 ) (min. 99.8%) and petroleum ether 40-60 o C fraction (p.a.) were purchased from Merck (Darmstadt, Germany). The solvents and BF 3 - MeOH 10-14% complex have been purchased from Sigma - Aldrich (Steinheim, Germany). The oils from all the grape seeds have been extracted with light petroleum ether in a Soxhlet device, according to the known standard procedure (ISO 659:2009). The oils were transformed in methyl esters by treatment with methanol and BF 3 as catalyst, according to the standard method (ISO 12966-4:2015). The mixture of fatty acid * email: cristina.todasca@chimie.upb.ro; Phone: +40214023887