Establishment And Application Of Dry Red Wine Phenolic Metabolomic Technology

Wines phenolic composition and concentration level play a determinant role in influencing wines'organoleptic properties such as color and mouth-feel.The biosynthesis of phenolic compounds in grapes is modulated by grape species,variety and regional factors such as viticultural practices,climate and soil,besides,wine phenolic composition and concentration level are also influenced by vintage because of phenolic compounds' antioxidant property.In this research,high performance liquid chromatography triple quadrupole mass spectrometry(HPLC-QqQ-MS/MS)was used to built wine phenolic detecting methods.With the successful use of HPLC-QqQ-MS/MS phenolic detecting methods,wine phenolic metabolomic technology was then established by combining phenolic detecting methods and statistic tools.Afterwards,wine phenolic metabolomic technology was adopted to analyze phenolic profiles and to extract phenolic fingerprints of Chinese dry red wines from different backgrounds,and to provide big data support and scientific reference to explain the organoleptic characters of different types of dry red wines,By using HPLC-QqQ-MS/MS and purchasing phenolic standards,HPLC-QqQ-MS/MS methods capable of qualifying and quantifying 51 phenolics that may exist in grapes and wines were built.Furthermore,by calculating the relative molecular mass,analyzing the chemical structures and deducing the polarities of 192 anthocyanin compounds that possibly exist in grapes and wines,a systematic detecting theory of these anthocyanin compounds was proposed.With the help of HPLC-QqQ-MS/MS and the systematic detecting theory,we also established HPLC-QqQ-MS/MS methods that contain a systematic qualification and a relative quantification ability of 90 anthocyanin derivatives that may exist in grapes and wines.A Phenolic-Chromatic Database of 237 dry red wines was established by using HPLC-QqQ-MS/MS and wine chromatic detecting methods(CIELab method and Glories method).Statistical models for wine chromatic parameters of different levels were established according to the big data normal distribution theory conjecture and the distribution characters and relationship of different chromatic parameters were validated by statistical analysis.According to Correlation analysis and Orthogonal partial least-squares discriminant analysis(OPLS-DA),chromatic parameters that were closely related can be generally clustered into groups,the first group includes a*,C*ab,CI,Blue%,Red%and dA%,which can be labeled as Chromatic groupl,and the second group includes L*,b*,H*ab and Yellow%,which can be labeled as Chromatic group2.Phenolic compounds(-)-epicatechin,malvidin-3-O-glucoside and malvidin-3-O-acetylglucoside were positively and negatively correlated with Chromatic group1 and Chromatic group2,respectively,and gallic acid was negatively and positively correlated with Chromatic groupl and Chromatic group2,respectively.Using phenolic metabolomic technology(Sparse partial least-squares discriminant analysis,sPLS-DA)to analyze phenolic and chromatic data of Vitis.amurensis(and its V.vinifera hybrids),V.davidii and V.vinifera dry red wines,it suggested that the typical phenolic compounds of V.amurensis(and its V.vinifera hybrids)and V.davidii wines were mainly phenolic acids and diglucosidic anthocyanins,and the typical phenolic compounds of V.vinifera wines were mainly monoglucosidic anthocyanins and pyranoanthocyanins.According to Correlation analysis,these typical phenolic compounds could not only be recognized as phenolic fingerprints of wines from different species,but could also explain the relatively higher values of a*,b*,C*ab,CI and Blue%in V.amurensis(and its V.vinifera hybrids)and V.davidii wines,and the relatively higher values of L*,Red%and dA%in.vinifera wines.Phenolic data of 121 Chinese dry red wines was analyzed by statistic discriminant tool for wine differentiation.The results indicated that OPLS-DA can effectively differentiate wines according to their varieties(Cabernet Sauvignon or other varieties),regions(east or west Cabernet Sauvignon wines),and vintages(young or old Cabernet Sauvignon wines),and extract phenolic fingerprints of specific wines accurately.On the basis of our experiment to test the OPLS-DA differentiation in samples of more detailed regional and vintage information,a theoretic design for wine differentiation based on metabolomic technology was proposed for the first time.