基于正交偏最小二乘法判别分析宁夏和河北产区市售马瑟兰葡萄酒理化特征和抗氧化能力

随着中国葡萄酒产业的不断发展，产区之间的同质化问题日趋严重。马瑟兰是近年来在我国各个产区均得到较好表现的优质品种。为解析宁夏和河北产区马瑟兰市售干红葡萄酒特征与差异，进而揭示马瑟兰在不同产区间的不同风格质量表现，对宁夏和河北产区共27款市售酒的理化性质、有机酸、花色苷和其他酚类物质含量及抗氧化能力进行检测，并结合正交偏最小二乘法判别分析(orthogonal partial least squares-discriminant analysis, OPLS-DA)和相关性分析等方法进行分析。结果显示，两地区样品检测中除总酸含量外，其他基础理化指标含量都具有显著差异。有机酸中，琥珀酸是两地区含量差异最大的有机酸；河北地区马瑟兰酒样花青素-3-O-葡萄糖苷含量较高(0.001 1 g/L),而二甲花翠素-3-O葡萄糖苷比宁夏地区酒样低0.033 g/L。基于单体酚含量建立的OPLS-DA模型区分效果最佳，其中11种单体酚对该模型的建立起关键作用。抗氧化能力与相关性分析的结果显示，河北地区马瑟兰酒样抗氧化能力显著高于宁夏地区，且总酚和单体酚类物质对此有重要贡献，特别是表儿茶酸没食子酸酯和龙胆...     

不同产区赤霞珠干红葡萄酒非挥发风味物质的差异性分析

以宁夏贺兰山东麓、河北怀来、新疆焉耆产区的2016年份15款赤霞珠干红葡萄酒为研究对象,检测其理化指标,采用高效液相色谱法（HPLC）检测供试酒样中非挥发风味物质（糖类、醇类、酸类及酚类等）含量,并对结果进行主成分分析（PCA）及层次聚类分析（HCA）。结果表明,不同产区赤霞珠干红葡萄酒的总酚、总原花青素、黄烷醇、原花青素B1、表棓儿茶素、儿茶素、原花青素B2含量存在极显著差异（P＜0.01）,酒石酸、表儿茶素没食子酸酯存在显著差异（P＜0.05）。经主成分分析得出,供试酒样前2个主成分分别占方差贡献率的33.66%和27.07%;经层次聚类分析得出,新疆焉耆产区酒样与其他产区酒样可以明显归为两类,宁夏贺兰山东麓产区与河北怀来产区酒样也得到了很好的区分。结果表明,产区是影响其风味差异的重要因素。     

基于金属元素组成的新疆石榴产地识别分析

采用电感耦合等离子体原子发射光谱法,对新疆6 个主要产地（库车、吐鲁番、叶城、疏附、喀什、和田）的36 个石榴样品的可食部分（果肉）和籽中12 种金属元素的含量进行测定,采用主成分分析（principalcomponent analysis,PCA）和线性判别分析（linear discrimination analysis,LDA）对石榴可食部分和籽中金属元素进行综合评价。结果表明：PCA得出2 个三因子模型,分别解释了石榴可食部分和籽中金属元素数据的84.29%和60.33%;通过对石榴可食部分中金属元素组成进行PCA,PCA更好地将36 个石榴样品划分为6 类,与实际产地吻合。LDA得出新疆不同产地石榴可食部分和籽的总体验证判别率分别为100%和100%,交互验证判别率分别为100%和94.44%。说明提出的方法具有很好的产地识别作用,可作为石榴产地的一种鉴别方法。     

基于矿质元素的赤霞珠葡萄酒产地溯源

为探讨基于矿质元素的赤霞珠葡萄酒产地溯源的可行性,分析新疆天山北麓产区与其他4 个产区（宁夏、甘肃、河北、山东）赤霞珠葡萄酒中的23 种矿质元素含量,结合多元统计方法,构建有效的葡萄酒产地溯源模型。结果表明：天山北麓与宁夏、甘肃、河北、山东产区葡萄酒中P、Mg、Sr、Ti、Al、Cu、Ba 具有显著（p<0.05）或极显著差异（p<0.01）,可以作为区分不同产区葡萄酒的特征性元素。以23 种矿质元素为依据的Fisher 判别分析,筛选出P、Sr、Al 3 种对产地判别显著的元素,建立的判别函数对天山北麓和其他4 个产区葡萄酒的初始验证和交叉验证整体正确判别率分别为96.43%和89.29%。基于矿质元素分析能够对赤霞珠葡萄酒进行产地溯源,区分新疆天山北麓与宁夏、甘肃、河北、山东产区的葡萄酒。     

超高效液相色谱-四极杆-飞行时间质谱组合化学计量学方法快速筛查肉中109种药物残留

目的 建立109种药物的超高效液相色谱-四极杆-飞行时间质谱（Ultra performance liquid chromatography-quadrupole-time-of-flight mass spectrometry,UPLC-Q-TOF-MS）数据库以及结合化学计量学主成分分析（principal component analysis,PCA）和正交偏最小二乘判别分析（orthogonal partial least squares discriminant analysis,OPLS-DA）构建肉中药物残留的快速筛查方法,并应用于阳性样本分析。方法 样本经提取、快速柱净化、色谱柱分离后,电喷雾电离源正离子模式电离,全信息串联质谱模式检测。设置对照组和实验组,研究药物添加数量、添加浓度及基质种类对PCA和OPLS-DA模型的影响,同时,以小鼠阳性样本为研究对象,运用模型进行差异目标物识别,并利用数据库进行验证。结果 建立了包含药物名称、分子式、CAS号、精确质量数等信息的109种药物数据库,PCA和OPLS-DA模型对不同样品中差异组分的辨析能力不受药物数量、药物浓度、基质种类的影响。同时,阳性小鼠样本中的未知药物多菌灵被精准识别。结论 UPLC-Q-TOF-MS组合化学计量学方法是一种简便的用于未知样品中差异组分快速筛选的方法,可实现肉中多药物残留组分的高通量筛查。     

气相色谱指纹图谱法进行红葡萄酒年份表征研究

利用中药色谱图分析和数据管理系统、SPSS 19.0统计分析软件及聚类分析软件1.2,对法国波尔多地区2011年、2010年、2009年、2008年4个常见年份的78个干红葡萄酒样品的气相色谱指纹图谱进行研究,建立了气相色谱指纹图谱法结合统计分析软件进行红葡萄酒年份鉴别的方法。结果表明,不同年份红葡萄酒气相色谱指纹图谱的特征峰数量和相对峰面积都有所差别,建立了气相色谱指纹图谱结合主成分分析和系统聚类分析进行葡萄酒年份鉴别的两种识别模式,该识别模式可以将不同年份红葡萄酒进行很好的区分;通过2种红葡萄酒测试样本对该2种鉴别模式进行验证,判别正确率为100%;利用验证后的识别模式对市售的4个葡萄酒样本进行鉴别。结果显示,该识别模式可以很好地表征酒样年份的真实属性。研究结果表明,应用气相色谱指纹图谱法结合相似度分析、主成分分析和聚类分析是初步甄别年份假冒红葡萄酒的一种简便、可操作性强且有效的方法。     

‘媚丽’桃红葡萄酒的工艺优化及整体质量评价

选取浸渍温度、酒精发酵温度以及是否进行苹果酸乳酸发酵(malolactic fermentation,MLF)3个因素,每个因素设计2水平,检测所酿成的‘媚丽’桃红葡萄酒各项常规理化指标和生理活性指标,并对各酒样进行了感官评定。采用方差分析和主成分分析相结合的方法对‘媚丽’桃红葡萄酒整体质量进行评估,确定‘媚丽’桃红葡萄酒酿造的优化工艺参数。结果表明,各酒样的基本理化指标符合国家质量标准;酒样5的生理活性指标综合得分最高;酒样1和5的感官评定得分显著高于其他酒样(P0.05),前者感官得分最高,后者次之。‘媚丽’桃红葡萄酒的整体质量受到工艺参数的影响较大,研究得到其工艺优化方案为:低温浸渍、常温酒精发酵且不进行乳酸发酵。     

宁夏贺兰山东麓产区霞多丽、贵人香干白葡萄酒呈味特征差异及相关性分析

运用电子舌、常规指标检测法对宁夏贺兰山东麓产区霞多丽、贵人香干白葡萄酒的呈味特征差异及相关性检测分析,并结合主成分分析(principal component analysis,PCA)、聚类分析及因子分析等分析方法,对不同酒样进行分析测定,从而为宁夏贺兰山东麓产区霞多丽、贵人香干白葡萄酒呈味相关特征提供理论指导。结果表明:经主成分分析得出,鲜味、咸味、酸味、丰厚度指标对呈味特征贡献较大;经聚类分析得出,对葡萄酒呈味特征影响因素中,品种差异较年份影响具有优势;经雷达图得出,不同酒样中,除苦味、涩味值相差较大外,鲜味、咸味、丰厚度等指标强度基本一致,且品种间区别较明显;经因子分析对常规理化指标分析得出,酒样中干浸出物与总酚贡献度较大,且酸味优于甜味的贡献度。经过以上多种分析处理法,以上酒样得到了较好区分。     

不同酵母发酵对葡萄酒香气成分的影响

分别采用天然酵母种群、本土优筛酿酒酵母菌株Y14和商业葡萄酒活性干酵母F15进行红葡萄酒发酵实验,采用固相微萃取结合气质色谱的方法对葡萄酒中的香气成分进行检测。结果表明,不同酵母发酵葡萄酒样中香气成分的种类和含量均具有明显差异,不同酒样中共有的主要香气成分有异戊醇、苯乙醇和异丁醇。     

赤霞珠干红葡萄酒产地识别的研究

以取自不同产地的37个赤霞珠干红葡萄酒样品的38项指标的检测结果为数据,用主成分分析（PCA）筛选出8个有代表性的主成分,利用其因子得分进行产地判别分析（DA）,判别效果较好,其中昌黎、蓟县、贺兰山A和贺兰山B4个产地100％识别,南疆、北疆识别效果略差,但总识别率达到86．5％,并建立了判别方程模型。     

产地与品种对葡萄酒中酚类物质含量的影响

选取同一产地(天水)3 个葡萄品种：“西拉(Shiraz)”、“蛇龙珠 (Carbernet Gernischet)”、“赤霞珠(Cabernet Sauvignon)”所酿制的新鲜干红葡萄酒以及5 个不同产地(天水、和硕、玛纳斯、延庆和怀来)赤霞珠葡萄酒,采用高效液相色谱(HPLC)法分析葡萄酒中11 种酚酸、5 种黄烷-3- 醇、10 种黄酮醇和2 种黄酮的含量。结果表明：同一产地不同品种和同一品种不同产地间的葡萄酒中酚类物质的含量都存在显著差异。其中,赤霞珠葡萄酒是3 个葡萄品种中酚类物质含量最高的品种;在5 个不同产地中,延庆赤霞珠葡萄酒中酚酸含量最高,黄烷-3- 醇含量最高的为和硕赤霞珠葡萄酒,而怀来赤霞珠葡萄酒中所含黄酮醇含量最高。     

多元统计分析在小麦粉产地溯源中的应用

目的筛选小麦粉产地溯源特征元素,为深入挖掘食品安全风险监测数据,开发成熟有效的食品溯源技术积累基础。方法采用电感耦合等离子体质谱法测定河北省、新疆维吾尔自治区和江苏省共计173份小麦粉样品中的10种无机元素含量,利用主成分分析(PCA)、偏最小二乘判别分析(PLS-DA)、正交偏最小二乘判别分析(OPLS-DA)建立模式识别模型,考察建模效果。结果 PCA模型可以将新疆维吾尔自治区样品与其他两省实现分离;PLS-DA可以实现3个地区样品的分离;河北省和新疆维吾尔自治区、江苏省和新疆维吾尔自治区均在OPLSDA模型中得到良好分离。结论利用PCA、PLS-DA和OPLS-DA三种多元统计分析方法对河北省、新疆维吾尔自治区和江苏省3个地区小麦粉中10种无机元素进行分析,筛选出铜(Cu)、铁(Fe)和砷(As)三个特征元素,这些特征元素有望被应用于小麦粉产地溯源。     

应用香气化合物多维统计分析方法建立赤霞珠葡萄酒原产地模型

以烟台、新疆、宁夏与北京四大产区32款赤霞珠葡萄酒作为实验样本,采用搅拌棒吸附萃取(SBSE)与气相色谱-质谱联(GC-MS)、液液微萃取技术(LLME)与气相色谱-质谱联用(GC-MS)定量分析了葡萄酒中59种挥发性香气成分。定量数据运用多维统计方法进行分析,通过方差分析(ANOVA)与主成分分析(PCA)选出13种代表性化合物作为葡萄酒产地判别的自变量(4-萜品醇、1-壬醇、2-苯乙醇、乙酸2-苯乙酯、3-甲硫基-1-丙醇、苯甲酸、4-甲基苯酚、α-萜品醇、癸酸、辛酸乙酯、3-辛醇、2-壬醇、棕榈酸乙酯),用这13种物质进行判别分析(DA)并建立了赤霞珠葡萄酒的原产地鉴定模型。该模型对32款不同产区的葡萄酒进行了正确的分类,交叉验证的结果显示,对未知样品归类的准确率到达100%,充分肯定了此模型对赤霞珠葡萄酒原产地鉴别的能力。     

Discrimination Between Shaoxing Wines and Other Chinese Rice Wines by Near-Infrared Spectroscopy and Chemometrics

Shaoxing rice wine (also called Shaoxing wine) is the most well-known Chinese rice wine in China. The common fraudulent practice in the commercialization of Chinese rice wine is to sell wines from different geographical origins under the denomination of Shaoxing rice wine. In this study, the use of near-infrared (NIR) spectroscopy combined with chemometrics as a rapid tool for the discrimination of Chinese rice wine from three geographical origins (“Fujian”, “non-Shaoxing”, “Shaoxing”) has been preliminarily investigated. NIR spectra were collected in transmission mode in the wavelength range of 800–2,500 nm. Discriminant models were developed by principal component analysis (PCA), discriminant analysis (DA), and discriminant partial least-squares analysis (DPLS). The chemical properties of Chinese rice wine were also investigated to find out the difference between samples from three varied origins. The results showed that good classification could be obtained after spectral pre-treatment. The percentage of samples correctly classified by both DA and DPLS methods in calibration and validation set was 97.2% and 100%, respectively. The results demonstrated that NIR could be used as a simple and rapid technique to distinguish Shaoxing wines from non-Shaoxing wines and Fujian wines. To further validate the ability of NIR spectroscopy, more samples should be incorporated to build a more robust model.     

基于嗅觉指纹信息的黄酒酒龄和产地鉴别

为了找出一种快速、准确鉴别黄酒酒龄和产地的方法,本研究采用超快速气相色谱电子鼻采集不同酒龄和产地黄酒样品的嗅觉指纹信息,采用主成分分析对嗅觉指纹信息进行降维处理,并采用判别因子分类法建立黄酒酒龄和产地鉴别模型。经主成分分析降维后的1年陈和3年陈基酒样品点落在相近的区域内,7年陈和9年陈基酒样品点落在相近的区域内,陈酿时间5年是基酒风味变化的一个转折点;判别因子分类法所建黄酒酒龄鉴别模型的鉴别正确率为100%。主成分分析降维后,绍兴黄酒与上海黄酒、浙江嘉善黄酒和江苏南通黄酒差异明显,进一步采用判别因子分类,4个产地黄酒的鉴别正确率均为100%。研究表明,超快速气相色谱电子鼻结合化学计量学方法建立的模型可以较好地应用于黄酒酒龄和产地的鉴别。     

西北地区干红葡萄酒质量相关理化指标的判别功能解析

为解析西北地区干红葡萄酒的质量相关理化指标的溯源判别功能,以新疆、宁夏和内蒙古乌海产区共27款干红葡萄酒为材料,基于分光光度法分析检测与色泽、味感和香气质量相关的花色苷、单宁、酒石酸酯等指标,且进行香气特征的感官量化分析.统计分析结果表明,CIELab色空间和花色苷等色泽指标中前两个主成分占总体方差71.08％,判别干红葡萄酒年份的效果明显,但对不同葡萄品种和产地的判别效果不佳.单宁、多酚等味感相关理化指标的前两个主成分占总体方差的65.93％,对干红葡萄酒产地和年份的判别效果较好,但不能有效判别品种.酒石酸酯、总酸和香气特征等指标中前两个主成分占总体方差的83.10％,表现出较好的产地和品种的判别效果,而对年份的判别效果一般.色泽、味感和香气相关的总计20个理化指标数据在主成分分析中表现出更好的产地、品种和年份的判别效果,前两个主成分占总体方差的67.32％.聚类分析能将葡萄酒产地准确地分为3类,准确率超过90％.基于分光光度法开发的色泽-风味理化指标的大数据具有判别我国西北地区干红葡萄酒产地、品种和年份的潜在应用前景.     

Varietal and geographic classification of French red wines in terms of elements,amino acids and aromatic alcohols

Thirty-four French red wines from three regions already studied for their anthocyanin and flavonoid constituents have been further analysed for elements, amino acids and aromatic alcohols. An interpretation of the differences between wines related to their different geographic and varietal origins has been made from the results of statistical analyses: F statistic, principal component analysis (PCA) and stepwise discriminant analysis (SDA). Wine samples produced near Bordeaux were found to be characterised by higher rubidium and lower lithium and calcium concentrations. Differences between wine samples made from the same grape variety or produced in the same region are mainly related to differences in potassium and ash contents. The PCA demonstrates that the concentration of most amino acids in wines is mainly a function of the technology used in wine production. Moreover, it shows that the concentration of proline, hydroxyproline and ethanolamine are generally lower in wines prepared from Carignan, Cinsault and Grenache grapes than in wines from Cabernet Franc, Cabernet Sauvignon or Merlot grapes. Finally, it shows clear differences between wines according to the latitude of the production centre. These differences correspond to increasing total nitrogen content from south to north, ie Narbonne and Bordeaux versus Angers. In discriminant analysis Bordeaux wines were characterised by high rubidium and low arginine concentrations, Angers wines by a lower arginine content and Narbonne wines by their abundance of magnesium and deficiency of ethanolamine.     

Antioxidant and antimicrobial properties of polyphenolic fractions from selected Moroccan red wines

The present study is the first effort to a comprehensive evaluation of the antioxidant and antimicrobial activities of fractionated red wines from Morocco. The results obtained revealed that the wine samples were characterized by a higher phytochemical concentration than the same variety of wines with a different geographical origin and other more consumed red wines, confirming what was reported in a previous authors' work. The most phenolic-rich fractions were the ones containing phenolic acids and quercetin glucoronides from Syrah and Merlot wine samples while Cabernet Sauvignon exhibited the highest monomeric anthocyanin content. The antioxidant activity of wine extracts was tested by ferric reducing antioxidant power and 1,1-diphenyl-2-picrilhydrazyl assays. Samples revealed a higher reducing capacity than radical scavenging property and a good correlation between antioxidant activity and polyphenolic content values. As regards the antimicrobial properties, each fraction exhibited activity against a broad spectrum of food-borne microorganisms, revealing not only a moderate to high natural preserving capacity, but also potentially beneficial influence on human health. PRACTICAL APPLICATION: In consideration of the scarcity of data regarding composition and biological properties of Moroccan red wines, the present study may represent a valuable reference for wine consumers and producers.     

Classification of monofloral honeys from different floral origins and geographical origins based on rheometer

A rheometer was used to classify commercial honeys. Five kinds of Yichun honeys from different floral origins and five kinds of Acacia honeys from different geographical origins were classified based on a rheometer by four pattern recognition techniques: Principal Component Analysis (PCA), Cluster Analysis (CA), Partial Least Squares (PLS), and Support Vector Machines (SVM). All the samples for different floral origins or different geographical origins were demarcated clearly by PCA, PLS. The samples from different floral origins could be classified by SVM, and the samples from different geographical origins also have a high correct classification rate (97.5%). The classification rates for different floral origins and geographical origins were 95% and 97.50% by CA, respectively. Three regression models: Principal Component Regression Analysis (PCR), Partial Least Squares Regression (PLSR), Support Vector Regression (SVR) were used for category forecast. The regression analysis showed that SVR with radial basis function kernel worked most effective.