本文選題：白酒鑒別 + 模式識別　； 參考：《成都理工大學》2017年碩士論文

【摘要】：白酒是中國人在社交、慶典、婚禮等活動中不可缺少的常見飲品,有五千多年的悠久歷史和深厚的文化內(nèi)涵,具有獨特的風格特征。傳統(tǒng)的白酒鑒別主要依靠品酒師的感官品評,情感、環(huán)境等主客觀因素會影響品評準確性,而且白酒產(chǎn)量、數(shù)量龐大,感官品鑒專家數(shù)量相對不足,難以應(yīng)對市場監(jiān)督鑒別需求。本研究選擇水井坊井臺裝,五糧液水晶裝,紅花郎10年三種具有代表性的名優(yōu)白酒,采用GC-MS和ICP-OES測定白酒樣品中的有機組分和無機元素,利用安捷倫Mass Profiler Professional,Matlab分析軟件,結(jié)合主成分分析,聚類分析,線性判別分析,偏最小二乘判別分析,支持向量機等建模技術(shù),建立三種名優(yōu)白酒的分類預(yù)測模型,探索名優(yōu)白酒的真?zhèn)舞b別方法。(1)優(yōu)化了GC-MS測定白酒中有機成分的儀器條件,最佳的色譜條件為:載氣流速1.0 mL/min,分流比5:1,升溫程序為:起始溫度40°C,保持5 min,5°C/min升至100°C,保持5 min,10°C/min升至190°C保持20 min。最佳的質(zhì)譜條件為:電子轟擊離子源(EI),電子能量70 eV;離子源溫度230°C;掃描質(zhì)量范圍(m/z):35~500。在優(yōu)化的GC-MS條件下,內(nèi)標乙酸正戊酯保留時間的RSD(n=6)為0.1%,峰面積的RSD(n=6)為3.0%,方法精密度良好。(2)對ICP-OES測定白酒中Ca、Na、K、Mg、Cu、Fe、Mn、Zn、Sr等9種元素進行了方法學驗證,各元素的標準曲線的相關(guān)系數(shù)介于0.998~1.000之間,加標回收率介于95%~110%,相對標準偏差(RSD,n=6)均低于4.7%,檢出限低于0.005 mg/L,9個元素測定的線性好,準確度、精密度、檢出限均符合分析化學痕量分析的要求。(3)用ICP-OES測定了175組白酒樣品中的9種金屬元素濃度,并分析了三種名優(yōu)白酒的金屬元素濃度特征。分析結(jié)果表明,同品系白酒的金屬元素濃度分布相對集中,其差異小于品系間差異,三種名優(yōu)白酒的金屬元素濃度各具特征。五糧液水晶裝樣品中Ca、Mg濃度最低,其平均濃度分別低至2.10 mg/L和0.32mg/L。水井坊井臺裝樣品中的Ca、Mg、Sr的濃度明顯高于紅花郎樣品,K、Mn、Cu、Fe的濃度范圍相近。紅花郎10年、15年,青花郎20年三個品系樣品的9種金屬元素濃度差異小。(4)對16組五糧液水晶裝與11組同廠、13組同產(chǎn)地白酒的GC-MS和ICP-OES數(shù)據(jù)的主成分分析,結(jié)果表明,所有五糧液水晶裝樣品聚集于一個小區(qū)域內(nèi),與同廠樣品有部分交叉,說明16組五糧液水晶裝樣品的有機組分和無機金屬濃度特征高度一致,且與部分同廠樣品相似�；贕C-MS數(shù)據(jù)的聚類分析結(jié)果表明,16組五糧液水晶裝分成了兩部分,其中14組與2組同廠樣品聚在一起,另外2組與1組宜賓樣品單獨聚在一起。五糧液水晶裝的GC-MS和ICP-OES分析結(jié)果一致。(5)對20組水井坊井臺裝與18組同廠、23組同產(chǎn)地白酒樣品的GC-MS和ICP-OES數(shù)據(jù)的主成分分析,結(jié)果表明,水井坊井臺裝樣品的有機組分和無機金屬特征具有一致性,與同廠樣品有部分交叉,且與成都產(chǎn)的白酒有顯著差異,水井坊井臺裝與成都的白酒樣品的ICP-OES數(shù)據(jù)的差異不及GC-MS數(shù)據(jù)。聚類分析結(jié)果顯示20組水井坊井臺裝樣品分為四部分,分別與相似的同廠、同產(chǎn)地樣品聚在一起。由于水井坊井臺裝樣品的生產(chǎn)日期跨度較大,因此水井坊井臺裝樣品的一致性不及五糧液水晶裝。(6)對19組紅花郎10年與20組同廠樣品、11組同產(chǎn)地白酒樣品的的GC-MS和ICP-OES數(shù)據(jù)的主成分分析結(jié)果表明,紅花郎10年樣品的有機組分和無機金屬特征具有一致性,與紅花郎15年和青花郎20年相似度較高,與其它古藺產(chǎn)的醬香型白酒區(qū)分明顯�；贕C-MS數(shù)據(jù)的聚類分析結(jié)果表明,19組紅花郎10年樣品中的13組聚在一起,其余6組與各自相似的樣品聚在一起。聚類分析結(jié)果與主成分分析結(jié)果一致。紅花郎10年與紅花郎15年、青花郎20年同屬于郎酒的年份酒系列,具有高度相似的生產(chǎn)原料、釀造工藝、發(fā)酵方式、勾兌方法,因此其有機組分和無機金屬特征具有極高的相似度。(7)分別建立了基于GC-MS、ICP-OES和GC-MS-ICP-OES相結(jié)合的數(shù)據(jù)的三種名優(yōu)白酒分類預(yù)測模型,并用未參與建模的樣品進行驗證。結(jié)果表明,結(jié)合名優(yōu)品系白酒的GC-MS和ICP-OES數(shù)據(jù)建立的名優(yōu)品系白酒分類預(yù)測模型比分別基于GC-MS和ICP-OES的模型有更高的交叉驗證正確率和整體預(yù)測正確率,可以很好的對名優(yōu)白酒進行區(qū)分,并對其它未知樣品具有一定的鑒別能力。五糧液水晶裝的W-Combin-LDA模型的交叉驗證正確率和整體預(yù)測正確率分別為94.1%和94.6%,水井坊井臺裝的S-Combin-LR模型的交叉驗證正確率和整體預(yù)測正確率分別為90.4%和99.1%,紅花郎10年的L-Combin-SVM的交叉驗證正確率和整體預(yù)測正確率分別為93.18%和95.2%。
[Abstract]:Liquor is a common drink of Chinese people in social, celebration, wedding and other activities. It has a long history and profound cultural connotation for more than five thousand years. It has unique style characteristics. The traditional liquor identification mainly depends on the sensory evaluation of the wine taster, emotion, environment and other subjective and objective factors will affect the accuracy of the evaluation, and the production of liquor. The quantity is huge, the number of sensory evaluation experts is relatively insufficient, it is difficult to cope with the market supervision and identification needs. This study selected three representative famous liquor of Shuijingfang well platform, Wuliangye crystal and Honghua Lang for 10 years. The GC-MS and ICP-OES were used to determine the organic and inorganic elements in the liquor samples, and the Agilent Mass Profiler Profes was used. Sional, Matlab analysis software, combined with principal component analysis, cluster analysis, linear discriminant analysis, partial least squares discriminant analysis, support vector machine and other modeling techniques, set up the classification prediction model of three kinds of famous liquor, and explore the true and false identification method of famous liquor. (1) optimize the instrument conditions for the determination of organic components in liquor by GC-MS, the best color The spectrum conditions are as follows: the air flow velocity of 1 mL/min and the shunt ratio 5:1, the starting temperature is 40 degree C, 5 min, 5 C/min to 100 degrees, 5 min, 10 degree C/min to 190 C to maintain 20 min.: electronic bombardment ion source (EI), electronic energy 70 eV; ion source temperature 230 degrees; scanning mass range Under MS conditions, RSD (n=6) of the retention time of n-amyl acetate was 0.1%, the peak area RSD (n=6) was 3%, and the precision was good. (2) the determination of 9 elements, such as Ca, Na, K, Mg, Cu, Fe, Mg, Cu, Ca, K, Mg, and so on, was verified by ICP-OES. The relative standard deviation (RSD, n=6) were lower than 4.7%, the detection limit was less than 0.005 mg/L, the determination of 9 elements was well linear, accuracy, precision, detection limit were all in line with the requirements of analytical chemical trace analysis. (3) the concentration of 9 metal elements in 175 groups of liquor samples was measured by ICP-OES, and the metal element concentration characteristics of three kinds of famous liquor were analyzed. The results show that the concentration distribution of metal elements in the same strain liquor is relatively concentrated, and the difference is less than the difference between lines. The concentration of metal elements in three kinds of famous liquor is different. The concentration of Ca and Mg in Wuliangye crystal samples is the lowest, the average concentration is as low as 2.10 mg/L, and the concentration of Ca, Mg, Sr in the 0.32mg/ L. Shuijingfang well stand samples is clear. The concentration range of K, Mn, Cu, Fe is similar to that of Honghua Lang. 10 years, 15 years, 15 years, and 9 kinds of metal elements in 20 years of Qinghua Lang. (4) the principal component analysis of 16 groups of Wuliangye crystals and 11 groups, the GC-MS and ICP-OES data of the 13 groups with the origin of Baijiu, and the results show that all the Wuliangye crystal samples are gathered together. In a small area, it is partially intersecting with the same factory samples. It shows that the 16 groups of Wuliangye crystal samples are highly consistent with the concentration characteristics of the organic and inorganic metals, and similar to some of the samples from the same factory. The results of cluster analysis based on GC-MS data show that 16 groups of Wuliangye crystals are divided into two parts, of which 14 groups are together with 2 groups in the same factory. Together, the other 2 groups were together with 1 groups of Yibin samples. The results of GC-MS and ICP-OES in Wuliangye crystal were consistent. (5) principal component analysis on the data of GC-MS and ICP-OES of 20 groups of Shuijingfang well sets and 18 groups, and the samples of white spirits from the same origin, the results showed that the features of the Shuijingfang well set samples had the characteristics of organic and inorganic metals. The ICP-OES data of the Shuijingfang well set and Chengdu liquor samples were not the same as that of the same factory samples. The difference of the ICP-OES data between the Shuijingfang well set and Chengdu liquor samples was less than that of the GC-MS data. The cluster analysis results showed that the 20 groups of Shuijingfang well set samples were divided into the same factory and together with the producing samples. The production date of the Shuijingfang well set sample is more span, so the consistency of the Shuijingfang well platform sample is not as good as the Wuliangye crystal. (6) the principal component analysis of the 19 groups of Honghua Lang 10 and 20 sets of samples, the GC-MS and ICP-OES data of the 11 groups of liquor samples from the same origin show that the organic and inorganic gold of the 10 year samples of Honghua Lang are of the organic composition and the inorganic gold. The characteristics are consistent with 15 years of Honghua Lang and 20 years of Qinghua Lang. It is distinct from other Gulin Maotai liquor. The results of cluster analysis based on GC-MS data show that 13 groups of the 19 groups of Honghua Lang are gathered together in 10 years, and the other 6 groups are together with their similar samples. The results are consistent. 10 years with Honghua Lang and Honghua Lang 15 years, Qinghua Lang 20 years belong to the wine series of Lang wine, with highly similar production materials, brewing technology, fermentation mode, blending method, so it has a very high similarity between the characteristics of organic and inorganic metals. (7) a combination of GC-MS, ICP-OES and GC-MS-ICP-OES was established, respectively. Three kinds of famous liquor classification prediction models were used, and the model samples were used to verify the model. The results showed that the combination of GC-MS and ICP-OES data, which was established by the famous liquor, had higher accuracy rate of cross validation and overall prediction accuracy than the model based on GC-MS and ICP-OES respectively. The W-Combin-LDA model of Wuliangye crystal has a correct rate of 94.1% and 94.6% respectively, and the correct rate of cross validation and the overall prediction accuracy of the S-Combin-LR model of Shuijingfang well set are 90, respectively. The cross validation accuracy and overall prediction accuracy of.4% and 99.1%, Honghua Lang 10 years were 93.18% and 95.2%. respectively, and L-Combin-SVM

【學位授予單位】：成都理工大學
【學位級別】：碩士
【學位授予年份】：2017
【分類號】：TS262.3;O657

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