红外光谱技术在葡萄及葡萄酒分析中的应用

红外光谱技术可以减化葡萄与葡萄酒的分析步骤,减少分析时间,其与化学计量学结合还具有同时测定几种成分和分类鉴别的能力.红外光谱技术在葡萄酒中的应用包括近红外和中红外区域.文中综述了近红外和中红外技术结合化学计量学分析葡萄与葡萄酒的质量,讨论了葡萄原料监测、葡萄酒成分、分类鉴别、红葡萄酒发酵过程酚类化合物的监测等方面的应用.     

近红外光谱技术在酿酒葡萄品质检测中的应用现状及展望

文章介绍了近红外光谱技术的基本原理、测定程序以及该分析方法中的定量分析法和定性判别法,综述了国内外采用该技术评价酿酒葡萄品质指标,鉴定酿酒葡萄品种以及检测酿酒葡萄成熟度等方面的应用进展情况,分析了该技术在检测酿酒葡萄品质时存在的问题以及应用前景。     

Prediction of red wine colour and phenolic parameters from the analysis of its grape extract

Herein, the phenolic composition and colour attributes of red grapes extracts (obtained with a fast methodology) were correlated with those of their corresponding wines to predict the final quality properties of wines. The phenolic parameters were evaluated as total phenolic compounds (TPC), total anthocyanins (TA) and total condensed tannins (TCT), whereas the chromatic parameters were evaluated as colour intensity (CI), tonality (To), and the percentages of yellow, red and blue tones. All of them were determined by usual UV–Vis spectrophotometric methods. To get robust models, grapes of five red varieties were collected at three different ripening stages throughout the 2009 vintage. Good correlations between the results from grapes and wines were obtained, showing high regression coefficients and low prediction errors for TPC (R² = 0.929, RMSE = 5.99%), TA (R² = 0.953, RMSE = 7.23%) and CI (R² = 0.954, RMSE = 7.58), concluding that these wine phenolic properties can be predicted reliably from the extracts obtained with an optimised fast extraction method from grapes on the ripening controls along the maturity process.     

A comparative study to distinguish the vineyard of origin by NIRS using entire grapes,skins and seeds

BACKGROUND: Interest in high‐quality products with a clear geographical origin is increasing. For the wine industry and market sector, identity preservation is of fundamental importance owing to the large number of geographical classifications. Nowadays, there is a growing demand for analytical methods for tracing grapes and wines. In the oenological sector, infrared spectroscopy is becoming an attractive tool allowing simultaneous measurement of several analytical parameters and enabling real‐time decision making. RESULTS: Discriminant partial least squares, a supervised pattern recognition technique, was employed to discriminate between vineyards of origin using the near‐infrared spectra of intact grapes, skins or seeds. In order to compare the three sample presentations, a receiver operating characteristic curve was used. The best results were obtained using intact grape seeds, with prediction rates of samples correctly classified of about 95%, although the good results obtained with entire grapes (about 93% of samples correctly classified) and the simplicity of use of the fibre optic probe could advise using entire grape presentation for comprehensive studies. CONCLUSION: The procedure reported here seems to have excellent potential for a fast and reasonably inexpensive analysis of the origin of samples. It is noted that such classification can be made at any time of ripening. This paper provides information of interest to develop new and extensive models in the future. © 2012 Society of Chemical Industry     

基于FT-NIR的葡萄酒发酵过程中挥发酸的定量分析

利用近红外光谱技术对葡萄酒发酵过程中挥发酸含量进行定量分析,通过偏最小二乘法建立葡萄酒发酵过程中挥发酸定量分析模型,同时采用间隔偏最小二乘法（iPLS）、后向间隔偏最小二乘法（BiPLS）、组合间隔偏最小二乘法（SiPLS）、竞争性自适应重加权算法（CARS）对整个谱区进行光谱特征变量筛选。以决定系数（R2）、校正标准偏差（RMSEC）、预测标准偏差（RMSEP）、相对分析误差（RPD）以及最佳主因子数为模型质量的评价指标。结果表明：进行变量筛选可对模型起到优化作用,提高识别精度,降低模型解析难度。其中CARS对模型的优化效果最佳,优化模型的决定系数R2达到0.868,RMSEC为0.033,RMSEP为0.032,RPD为5.31,有效简化了模型复杂程度,提高了模型稳定性和预测能力。     

5 个调色葡萄品种酚类物质轮廓分析

对调色葡萄品种‘烟73’、‘烟74’、‘Kolor’、‘Tintorera’和‘Dornfelder’成熟期果实和小规模发酵的葡萄酒进行基本理化指标和酚类物质分析。结果表明,‘Kolor’和‘烟73’果实花色苷含量较高,均超过4?000?mg/kg（以果实鲜质量计）;‘Tintorera’和‘烟73’果实黄酮醇含量较低,分别为43.99?mg/kg和59.6?mg/kg（以果实鲜质量计）;‘Dornfelder’果皮黄烷醇含量最低。在5?个调色葡萄酿造的葡萄酒中,‘烟73’的花色苷质量浓度最高（1?827.87?mg/L）;‘Tintorera’葡萄酒中黄酮醇（19.87?mg/L）、黄烷醇（35.34?mg/L）和酚酸（43.77?mg/L）质量浓度都低于其他品种。对果实花色苷含量进行主成分分析,能将大部分品种很好地区分。在此基础上构建正交偏最小二乘判别分析模型,能将各品种的果皮和果肉很好地区分,筛选出的差异物质大多为F3’5’H羟基取代花色苷。利用葡萄果实和葡萄酒中共同的酚类物质构建Pearson相关系数模型,结果显示,有70.37%的物质具有较强的相关性。本研究针对调色葡萄的酚类物质轮廓进行分析,能为干红葡萄酒以颜色和辅色为目的的调配提供基础。     

Sample presentation,sources of error and future perspectives on the application of vibrational spectroscopy in the wine industry

Vibrational spectroscopy encompasses a number of techniques and methods including ultra‐violet, visible, Fourier transform infrared or mid infrared, near infrared and Raman spectroscopy. The use and application of spectroscopy generates spectra containing hundreds of variables (absorbances at each wavenumbers or wavelengths), resulting in the production of large data sets representing the chemical and biochemical wine fingerprint. Multivariate data analysis techniques are then required to handle the large amount of data generated in order to interpret the spectra in a meaningful way in order to develop a specific application. This paper focuses on the developments of sample presentation and main sources of error when vibrational spectroscopy methods are applied in wine analysis. Recent and novel applications will be discussed as examples of these developments. © 2014 Society of Chemical Industry     

近红外光谱结合化学计量法快速无损鉴别燕麦

提出了一种基于近红外光谱技术与化学计量学的燕麦无损鉴别方法。通过近红外光谱仪测定了5个品牌与劣质燕麦的光谱曲线,利用连续小波变换方法对光谱进行预处理,然后基于标准偏差与相对标准偏差的变量筛选方法筛选出具有代表的15个波数点,最后结合主成分分析法对不同燕麦样品快速鉴别。结果表明:连续小波变换可以有效地消除光谱中的背景干扰,提取光谱有效信息,波长筛选方法可以大大提高主成分分析结果的鉴别能力。通过结合近红外光谱分析技术与化学计量学方法,可对中国国产品牌、进口品牌和劣质燕麦进行准确鉴别。     

近红外光谱分析技术在粮油品质评价中的研究应用进展

近红外光谱分析技术于20世纪60年代率先应用于美国农业领域,随着计算机技术的普及和化学计量学的发展,近年来国内也广泛应用到各个领域,在粮油收购过程中对质量的检控就应用了近红外光谱分析技术。简述近红外光谱分析技术的基本原理和操作流程,重点综述近年来近红外光谱分析技术在粮油品质评价方面的具体应用,分析其存在的不足,并展望其在粮油领域中的应用前景。     

A rapid method for identification of Lanxangia tsaoko origin and fruit shape: FT-NIR combined with chemometrics and image recognition

Lanxangia tsaoko’s accurate classifications of different origins and fruit shapes are significant for research in L. tsaoko difference between origin and species as well as for variety breeding, cultivation, and market management. In this work, Fourier transform-near infrared (FT-NIR) spectroscopy was transformed into two-dimensional and three-dimensional correlation spectroscopies to further investigate the spectral characteristics of L. tsaoko. Before building the classification model, the raw FT-NIR spectra were preprocessed using multiplicative scatter correction and second derivative, whereas principal component analysis, successive projections algorithm, and competitive adaptive reweighted sampling were used for spectral feature variable extraction. Then combined with partial least squares-discriminant analysis (PLS-DA), support vector machine (SVM), decision tree, and residual network (ResNet) models for origin and fruit shape discriminated in L. tsaoko. The PLS-DA and SVM models can achieve 100% classification in origin classification, but what is difficult to avoid is the complex process of model optimization. The ResNet image recognition model classifies the origin and shape of L. tsaoko with 100% accuracy, and without the need for complex preprocessing and feature extraction, the model facilitates the realization of fast, accurate, and efficient identification.     

Chemical analysis and photoprotective effect of an extract of wine from Jacquez grapes

The present study was aimed at evaluating the in vitro antioxidant activity and in vivo photoprotective activity of an extract of wine obtained from Jacquez (Vitis aestivalis‐cinerea × V vinifera) grapes (JW‐E). The chemical profile of the JW‐E was characterised by a significant level of proanthocyanidins, together with lower amounts of anthocyanins and hydroxycinnamic acids. The antioxidant activity of the JW‐E was assessed by means of various in vitro tests (bleaching of the stable 1,1‐diphenyl‐2‐picrylhydrazyl radical; peroxidation, induced by the water‐soluble radical initiator 2,2′‐azobis(2‐amidinopropane) hydrochloride, on mixed dipalmitoylphosphatidylcholine/linoleic acid unilamellar vesicles; UV radiation‐induced peroxidation in phosphatidylcholine multilamellar vesicles). In all in vitro tests employed, the JW‐E proved to possess strong antioxidant/free radical‐scavenging effectiveness. Furthermore, when topically applied, a gel formulation containing the JW‐E afforded significant in vivo protection against UVB light‐induced skin erythema (monitored by reflectance spectrophotometry) in healthy human volunteers. © 2002 Society of Chemical Industry     

Mid-infrared spectroscopy and chemometrics for determining the type of fruit used in jam

Fourier transform infrared spectra of jams were analysed by chemometric methods with the aim of differentiating between ‘strawberry’ and ‘non-strawberry’ containing jams. Spectra were subjected to a data reduction step, which was either principal component analysis (PCA)-based or partial least squares (PLS)-based, before being classified in one of the two jam types on the basis of the smaller distance to the group ‘means’. Diffuse reflectance infrared spectra of the insoluble materials of the jams led to a success in classification of almost 100%. However, the preparation method was lengthy and still needs some improvement. Attenuated total reflectance spectra of jams were classified according to fruit type with 91% success. This method was found to be strongly influenced by the spectral differences between ‘normal’ and ‘reduced’ total sugar content jams, which appeared in the first principal component in both the PCA-based and the PLS-based method.     

Characterization of monofloral honeys with multivariate analysis of their chemical profile and antioxidant activity

Abstract: Various bioactive chemical constituents were quantified for 21 honey samples obtained at Rio de Janeiro and Minas Gerais, Brazil. To evaluate their antioxidant activity, 3 different methods were used: the ferric reducing antioxidant power, the 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) radical‐scavenging activity, and the 2,2′‐azinobis (3‐ethylbenzothiazolin)‐6‐sulfonate (ABTS) assays. Correlations between the parameters were statistically significant (?0.6684 ≤ r ≤?0.8410, P < 0.05). Principal component analysis showed that honey samples from the same floral origins had more similar profiles, which made it possible to group the eucalyptus, morrão de candeia, and cambara honey samples in 3 distinct areas, while cluster analysis could separate the artificial honey from the floral honeys. Practical Application: This research might aid in the discrimination of honey floral origin, by using simple analytical methods in association with multivariate analysis, which could also show a great difference among floral honeys and artificial honey, indicating a possible way to help with the identification of artificial honeys.     

Comparison of fining red wines with purified grape pomace versus commercial fining agents: effect on wine chromatic characteristics and phenolic content

The large quantity of grape pomace (seeds, skin, and peduncle) produced during the winemaking process can be a problem and the search for procedures which could permit their valorisation is considered an important issue. This study investigates the use of purified grape pomace as a fining agent for reducing the level of some wine phenolic compounds, especially tannins. For this, purified grape pomace was applied to three young red wines of different phenolic composition and the results were compared with the effect of some common commercial fining agents. The results demonstrated that grape pomace can be used to decrease the wine tannin content with similar results to those obtained with casein, while also reducing anthocyanin content although to a similar extent to when bentonite is used. The effect of purified Monastrell grapes pomace is similar in the three different studied wines although it affected the most to wines with high monomeric anthocyanin content.     

Genetic analysis of the karyotype instability in natural wine yeast strains.

Yeast strains isolated from the wild may show high rates of changes in their karyotypes during vegetative growth. We analysed over 500 karyotypes from mitotic and meiotic derivatives of strain DC5, which has a chromosome rearrangement rate of 8.2 x 10(-3) changes/generation. About 70% of the meiotic derivatives of DC5 had low rearrangement rates, with an average of 5.8 x 10(-4) changes/generation, suggesting that karyotype instability behaved as a dominant phenotype. Diploid derivatives with low karyotype variability in mitosis also had low rates of chromosomal rearrangement during meiosis, suggesting that the two phenotypes may be linked. DC5 and some of its meiotic derivatives (both with high and low karyotype variability) had chromosome XII hypervariable bands. Their distribution among the meiotic products indicates that they are not indicators for genetic instability. To our knowledge, data in this paper are the first to indicate that karyotypically unstable yeast strains may give stable progeny at high rates. Understanding of the relevant mechanism(s) may allow the design of genetic strategies to stabilize karyotypes from natural and/or industrial wine yeasts with unacceptable karyotype rearrangement rates.     

Chemometrics coupled with ultraviolet spectroscopy: a tool for the analysis of variety,adulteration, quality and ageing of apple juices

This study demonstrates the use of UV spectroscopy (UV) in combination with chemometrics as a simple and feasible approach for analysis of variety, adulteration, quality and ageing of apple juice. The results show that PCA‐UV is adequate to differentiate apple juice varieties and adulteration. The percentage of the adulterant can be detected by PLSR‐UV with RMSE < 0.7783% and R² > 0.9980. For the evaluation of juice quality, PLSR‐UV (RMSE = 0.2555–2.3448; R² = 0.7276–0.9816) is recommended for the prediction of soluble solids, ascorbic acid, total flavonoids, total sugar and reducing sugar, whilst PCR‐UV (RMSE = 0.0000–2.7426; R² = 0.7073–1.0000) is adequate for the prediction of pH and antioxidant activity. In addition, PLSR‐UV may be used to predict the storage time with RMSE = 0.4681 day and R² = 0.9832. Therefore, UV coupled with chemometrics has potential to be developed as a portable tool for the detection of variety, adulteration, quality and ageing of not only apple juices, but also other fruit and vegetable juices.     

Comparison of fourier transform mid infrared spectroscopy and near infrared reflectance spectroscopy with differential scanning calorimetry for the study of the staling of bread

The staling of bread has previously been studied by differential scanning calorimetry and by simple rheological measurements. In this collaborative study, two spectroscopic techniques (Fourier transform mid infrared spectroscopy and near infrared reflectance spectroscopy) have been used in addition to differential scanning calorimetry to follow the progress of bread staling. Using each technique, changes in measured properties were apparent which, when fitted by first order exponential equations, gave calculated rate constants of similar magnitude. It is postulated that each technique gives independent information about the crystallisation process in the amylopectin fraction of the bread crumb.     

东山老米酒酿造过程中酵母菌的分离鉴定及其品质分析

目的 本文对传统东山老米酒的发酵特性进行了比较全面研究。方法 首先利用26S rDNA序列分析法对酒曲中的酵母菌进行了分离鉴定,借助高效液相色谱法测定酒中的氨基甲酸乙酯,利用气相色谱-质谱联用法分析了老米酒中的风味物质,同时还用氨基酸自动分析仪测定了游离氨基酸种类。结果 分离得到的菌株有3株为酿酒酵母,1株为白色隐球菌;老米酒中氨基甲酸乙酯含量处于较低水平,尤其是陈酿中仅含0.6 mg/L;风味物质以醇、酯类为主,如苯乙醇、琥珀酸二乙酯,酯类随酒的陈化而逐渐增多;老米酒中组氨酸和精氨酸含量较高,导致酒中苦味氨基酸含量高于60%,同时氨基酸含量在陈化过程中逐渐下降。结论 东山老米酒的发酵以酵母发酵为主,发酵产生的氨基甲酸乙酯的含量处于较低水平,且随着老米酒的陈化而降低。