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1.
Detection of hazelnut oil adulteration using FT-IR spectroscopy   总被引：1，自引：0，他引：1  
Fourier transform infrared spectroscopy (FT-IR) was used to detect the adulteration of hazelnut oil with different types of oils and to detect the adulteration of extra-virgin olive oil with hazelnut oil. Spectra of hazelnut oil, seven other types of oils, extra-virgin olive oil, and the adulterated oils were collected with a FT-IR equipped with a ZnSe-ATR accessory and a MCTA detector. Discriminant analysis and partial least-squares analysis were used to analyze the data. Classification of hazelnut oil, olive oil, and the other types of oils was achieved successfully with FT-IR. The detection level for sunflower oil adulteration of hazelnut oil was 2%, and the correlation coefficient for the PLS model was 0.99. Adulteration of virgin olive oil with hazelnut oil could be detected only at levels of 25% and higher.  相似文献   

2.
Although poppy seed oil is an expensive article of trade, no literature about identification methods for adulteration with cheaper vegetable oils, like sunflower oil, has been published. This kind of adulteration is a challenge for routine analytical methods, such as the determination of fatty acid composition, because of almost similar fatty acid ratios. The detection of adulteration of poppy seed oils with sunflower oils at different levels (5-40%, w/w) by using SPME-GC-MS and MALDI-ToF-MS is the subject of our investigation. With the mentioned SPME-GC-MS method, it was possible to detect an admixture of sunflower oils in all relevant (5-40%) amounts by using alpha-pinene as a marker compound. Admixture of sunflower oil with high levels of triolein (high-oleic acid type) could be undoubtedly detected by MALDI-MS down to the 5-10% level. In contrast, adulteration of pure poppy seed oil by "standard" sunflower oils remained indistinguishable using this MALDI-MS.  相似文献   

3.
The potential of combining solid-phase microextraction (SPME) with gas chromatography and chemometric data analysis to differentiate between pure strawberry samples (Fragraria ananassa) and strawberry samples adulterated with 10, 40, and 70% (v/v) apple purée was investigated. The method involved the extraction of aroma volatiles from the headspace of the purée samples using a SPME fiber followed by GC analysis with flame ionization detection. The principal component analysis (PCA) data matrix consisted of the relative percent peak areas of 37 compounds deemed to be significant in the differentiation of the samples on the basis of adulteration. The PCA results clearly showed that differentiation of the adulterated and unadulterated samples was possible, particularly at the higher levels of adulteration. Partial least-squares regression (PLSR) using a dummy set of Y variables (set to 0 for unadulterated and 1 for adulterated samples) resulted in clear discrimination between unadulterated purées and those containing 40 and 70% (v/v) apple. PLSR using a second set of Y variables, consisting of the actual level of adulteration, enabled quantification of apple purée with a standard error of prediction of 11.6%, implying a minimum detectable level of 25% (v/v) apple. GC-MS analysis enabled identification of the compounds with the greatest influence on sample differentiation. These compounds were identified as hexanoic acid, 2-hexenal, and alpha-farnesene, all of which are key aroma compounds in apples.  相似文献   

4.
A collection of authentic artisanal Irish honeys (n = 580) and certain of these honeys adulterated by fully inverted beet syrup (n = 280), high-fructose corn syrup (n = 160), partial invert cane syrup (n = 120), dextrose syrup (n = 160), and beet sucrose (n = 120) was assembled. All samples were adjusted to 70 degrees Bx and scanned in the midinfrared region (800-4000 cm(-1)) by attenuated total reflectance sample accessory. By use of soft independent modeling of class analogy (SIMCA) and partial least-squares (PLS) classification, authentic honey and honey adulterated by beet sucrose, dextrose syrups, and partial invert corn syrup could be identified with correct classification rates of 96.2%, 97.5%, 95.8%, and 91.7%, respectively. This combination of spectroscopic technique and chemometric methods was not able to unambiguously detect adulteration by high-fructose corn syrup or fully inverted beet syrup.  相似文献   

5.
The authentication of extra virgin olive oil and its adulteration with lower-priced oils are serious problems in the olive oil industry. In addition to the obvious effect on producer profits, adulteration can also cause severe health and safety problems. A number of techniques, including chromatographic and spectroscopic methods, have recently been employed to assess the purity of olive oils. In this study Raman spectroscopy together with multivariate and evolutionary computational-based methods have been employed to assess the ability of Raman spectroscopy to discriminate between chemically very closely related oils. Additionally, the levels of hazelnut oils used to adulterate extra virgin olive oil were successfully quantified using partial least squares and genetic programming.  相似文献   

6.
13C NMR (nuclear magnetic resonance) spectroscopy, in conjunction with multivariate analysis of commercial fish oil-related health food products, have been used to provide discrimination concerning the nature, composition, refinement, and/or adulteration or authentication of the products. Supervised (probabilistic neural networks, PNN) and unsupervised (principal component analysis, PCA; Kohonen neural networks; generative topographic mapping, GTM) pattern recognition techniques were used to visualize and classify samples. Simple PCA score plots demonstrated excellent, but not totally unambiguous, class distinctions, whereas Kohonen and GTM visualization provided better results. Quantitative class predictions with accuracies >95% were achieved with PNN analysis. Trout, salmon, and cod oils were completely and correctly classified. Samples reported to be salmon oils and cod liver oils did not cluster with true salmon and cod liver oil samples, indicating mislabeling or adulteration.  相似文献   

7.
Visible and near-infrared spectroscopy (VIS/NIR) has been used to detect economic adulteration of crab meat samples. Atlantic blue and blue swimmer crab meat samples were adulterated with surimi-based imitation crab meat in 10% increments. Waveform evaluation revealed that the main features seen in the spectral data arise from water absorptions with a decrease in sample absorbance with increasing adulteration level. Prediction and quantitative analysis was done using raw data, a 15-point smoothing average, a first derivative, a second derivative, and 150 wavelength spectral data gathered from a correlogram. Regression analysis included partial least squares (PLS) and principal component analysis (PCR). Both models were able to perform similarly in predicting crab meat adulteration. The best model for both PLS and PCR used the first derivative spectral data gathered from the correlogram, with a standard error of prediction (SEP) of 0.252 and 0.244, respectively. The results suggest that VIS/NIR technology can be successfully used to detect adulteration in crab meat samples adulterated with surimi-based imitation crab meat.  相似文献   

8.
Near-infrared (NIR) spectroscopic methods for measuring degradation products, including total polar materials (TPMs) and free fatty acids (FFAs), in soy-based frying oil used for frying various foods have been successfully developed. Calibration models were developed using forward stepwise multiple linear regression (FSMLR) and partial least-squares (PLS) regression techniques and then tested with an independent set of validation samples. The results show that the quality of oil used for frying different foods can be measured with a single model. First-derivative treatments improved results for TPM measurement. In addition, PLS models gave better prediction results than FSMLR models. For PLS models, the best correlations (r) between the NIR-predicted data and the chemical method data for TPMs and FFAs in oils were 0.995 and 0.981, respectively. For FSMLR models, the best r values for TPMs and FFAs in oils were 0.993 and 0.963, respectively.  相似文献   

9.
The authentication of virgin olive oil samples requires usually the use of sophisticated and very expensive analytical techniques, so there is a need for fast and inexpensive analytical techniques for use in a quality control methodology. Virgin olive oils present an intense fluorescence spectra. Synchronous excitation-emission fluorescence spectroscopy (SEEFS) was assessed for origin determination of virgin olive oil samples from five French registered designation of origins (RDOs) (Nyons, Vallée des Baux, Aix-en-Provence, Haute-Provence, and Nice). The spectra present bands between 600 and 700 nm in emission due to chlorophylls a and b and pheophytins a and b. The bands between 275 and 400 nm in emission were attributed to alpha-, beta-, and gamma-tocopherols and to phenolic compounds, which characterize the virgin olive oils compared to other edible oils. The chemometric treatment (PLS1) of synchronous excitation-emission fluorescence spectra allows one to determine the origin of the oils from five French RDOs (Baux, Aix, Haute-Provence, Nice, and Nyons). Results were quite satisfactory, despite the similarity between two denominations of origin (Baux and Aix) that are composed by some common cultivars (Aglandau and Salonenque). The interpretation of the regression coefficients shows that RDOs are correlated to chlorophylls, pheophytins, tocopherols, and phenols compounds, which are different for each origin. SEEFS is part of a global analytic methodology that associates spectroscopic and chromatographic techniques. This approach can be used for traceability and vindicates the RDOs.  相似文献   

10.
近红外光谱快速检测食用油必需脂肪酸   总被引：3，自引：0，他引：3  
为了建立食用油必需脂肪酸快速检测的方法,该研究提出了基于近红外光谱技术检测食用油中α-亚麻酸和亚油酸含量的快速测定方法。对光谱信息分别采用偏最小二乘回归方法(PLS)和最小二乘支持向量机(LS-SVM)建立模型。比较了多种光谱预处理方法对模型预测能力的影响。结果表明对于亚油酸含量的预测,采用Savitzky-Golay平滑法结合多元散射校正(MSC)的光谱预处理所建立的LS-SVM模型最优。预测集的决定系数(R2)、预测均方根误差(RMSEP)和剩余预测偏差(RPD)分别达到了0.989,0.0161和9.4783。对于α-亚麻酸含量的预测,采用Savitzky-Golay平滑法结合标准正态变换(SNV)的光谱预处理所建立的LS-SVM模型最优。α-亚麻酸含量预测结果的R2、RMSEP和RPD为0.972,0.0036和6.0561,据此表明,应用近红外光谱技术能够检测食用油中α-亚麻酸和亚油酸的含量,为快速检测食用油的必需脂肪酸提供了参考。  相似文献   

11.
Ginger is widely used as either a food product or an herbal medicine in the world. In this paper, a method was developed for determining volatile components in essential oils from both dried and fresh ginger by use of gas chromatography-mass spectrometry (GC-MS) and chemometric approaches. With the resolution improvement by chemometric methods upon two-dimensional data from GC-MS, the drifting baseline can be corrected. In addition, the peak purity can be assessed and the number of chemical components and their stepwise elution in the peak clusters can be identified. The peak clusters investigated are then resolved into pure chromatograms and related mass spectra for each of the components involved. Finally, with the pure chromatograms and related mass spectra obtained, the chemical components can be qualitatively identified based on the similarity searches in the MS databases and the chromatographic retention times. Quantitative determination can be conducted using the overall volume integration approach. The results showed that 140 and 136 components were separated and that 74 and 75 of them were tentatively identified, which accounted for about 62.82 and 47.11% of the total relative content for dried and fresh ginger, respectively. In comparison with the chromatographic fingerprints of essential oils from dried and fresh ginger, 60 of the volatile components determined match with each other. The study demonstrated that the use of chemometric resolution based on two-dimensional data can mathematically enhance the separation ability of GC-MS and assist qualitative and quantitative determination of chemical components separated from complicated practical systems such as foods, herbal medicines, and environmental samples.  相似文献   

12.
Electron ionization mass spectrometry (MS) of sterol butyrates is described. Fragmentation of common sterol butyrates is related to structure and is discussed in relation to the fragmentation of free sterols and of commonly used sterol derivatives. Derivatized samples of vegetable oils are introduced using a 10 m capillary gas chromatographic (GC) column for complete separation of the sterol butyrates. Quantitation of sterol butyrates in vegetable oils by packed column GC/flame ionization detection is based on percent relative area of peaks identified by MS. Results of analyses of sunflower, castor, rapeseed, and virgin olive oils, and other oils are presented. These techniques have been applied to the rapid screening of marketed olive oils for possible adulteration.  相似文献   

13.
Visible and near infrared (VIS/NIR) transmission spectroscopy and chemometric methods were utilized for the fast determination of soluble solids content (SSC) and pH of cola beverage. A total of 180 samples were used for the calibration set, whereas 60 samples were used for the validation set. Some preprocessing methods were applied before developing the calibration models. Several PLS factors, extracted by partial least squares (PLS) analysis, were used as the inputs of least squares-support vector machine (LS-SVM) model according to their accumulative reliabilities. The correlation coefficient (r), root mean square error of prediction (rmsEP), bias, and RPD were 0.959, 1.136, -0.185, and 3.5 for SSC, whereas 0.973, 0.053, 0.017, and 4.1 for pH, respectively. An excellent prediction precision was achieved by LS-SVM compared with PLS. The results indicated that VIS/NIR spectroscopy combined with LS-SVM could be applied as a rapid and alternative way for the fast determination of SSC and pH of cola beverage.  相似文献   

14.
A rapid near-infrared (NIR) spectroscopic method for measuring degradation products in frying oils, including total polar materials (TPMs) and free fatty acids (FFAs), has been developed. Calibration models were developed using both forward stepwise multiple linear regression (FSMLR) and partial least-squares (PLS) regression techniques and then tested with two independent sets of validation samples. Derivative treatments had limited usefulness, especially in the longer (1100-2500 nm) wavelength region. When using a wavelength region of 700-1100 nm, PLS models gave improved results compared to FSMLR models. The best correlations (r) between the NIR and wet chemical methods for TPM and FFA were 0.983 and 0.943, respectively. In the longer wavelength region (1100-2500 nm), FSMLR models were as good or better than PLS models. The best correlations for TPM and FFA obtained in this region were 0.999 and 0.983, respectively.  相似文献   

15.
The potential of vibrational spectroscopy methods (attenuated total reflectance/Fourier-transform-infrared (ATR/FT-IR), FT-Raman and near infrared (NIR) spectroscopy) for the identification and quantification of valuable as well as carcinogenic substances in different basil chemotypes is described. It is shown that all main volatile components occurring in different basil accessions can be reliably determined in the isolated essential oils or solvent extracts but also in the air-dried herbs. While NIR data can be interpreted only by chemometric methods, IR and Raman spectra present characteristic key bands of the individual volatiles; therefore, in the latter case, a discrimination of basil chemotypes is frequently possible without applying chemometric algorithms. NIR calibrations are successfully established for various terpenoids and phenylpropanoids; on the basis of these data, the content of the two carcinogenic compounds methyleugenol (range: 2-235 microg/100 g) and estragole (range: 34-138 microg/100 g) can be reliably predicted in air-dried basil leaves (R (2) (coefficient of determination) = 0.951; SECV (standard error of cross validation) = 19.1 microg/100 g and R (2) = 0.890; SECV = 12.8 microg/100 g, respectively). The described methods were found to be very useful tools for the efficient selection of special basil single plants, adapted to the new demands set by the legislator and the consumer. Furthermore, they can be applied in industry to very easily control the purifying, blending, and redistilling processes of basil oil.  相似文献   

16.
An improved COFRAC (COmité FRan?ais d'ACréditation) method for the analysis and evaluation of the quality of honey by high-performance anion-exchange chromatography of sugar profiles is proposed. With this method, both minor and major sugars are simultaneously analyzed and the technique is integrated in a new chemometric approach, which uses the entire chromatographic sugars profile of each analyzed sample to characterize honey floral species. Sixty-eight authentic honey samples (6 varieties) were analyzed by high-performance anion-exchange chromatography-pulsed amperometric detection. A new algorithm was developed to create automatically the corresponding normalized data matrix, ready-to-use in various chemometric procedures. This algorithm transforms the analytical profiles to produce the corresponding calibrated table of the surfaces or intensities according to retention times of peaks. The possibility of taking into account unknown peaks (those for which no standards are available) allows the maximum chemical information provided by the chromatograms to be retained. The parallel application of principal component analysis (PCA)/linear discriminant analysis (LDA) and artificial neural networks (ANN) shows a high capability in the classification of the analyzed samples (LDA, 93%; ANN, 100%) and a very good discrimination of honey groups. This work is the starting point of the elaboration of a new system designed for the automatic pattern recognition of food samples (first application on honey samples) from chromatographic analyses for food characterization and adulteration detection.  相似文献   

17.
Species adulteration of vegetable oils has become a main form of adulteration in vegetable oils, severely violating consumer rights and causing disorder in the market. A reliable method of species authentication of vegetable oils is desirable. This paper reports a novel method for identification of seven species of vegetable oils based on suspension bead array. One pair of universal primers and seven species-specific probes were designed targeting rbcl gene of the chloroplast. Each probe was coupled to a unique color-coded microsphere. Biotinylated PCR amplicons of seven oils were hybridized to the complementary probes on microsphere sets. Bound amplicons were detected fluorometrically using a reporter dye, streptavidin-R-phycoeryt hrin (SA-PE). A sample could be analyzed less than 1 h after PCR amplification. With the exception of olive probe, all probes showed no cross-reactivity with other species. Absolute detection limit of the seven probes ranged from 0.01 ng/μL to 0.0001 ng/μL. Detection limit in DNA mixture was from 10% to 5%. Detection of vegetable oils validated the effectiveness of the method. The suspension bead array as a rapid, sensitive, and high-throughput technology has potential to identify more species of vegetable oils with increased species of probes.  相似文献   

18.
Near-infrared (NIR) spectroscopy and partial least-square regression were used for determination of alpha-tocopherol in edible oils after extraction with ethanol. The standard error of calibration and the standard error of prediction were calculated for evaluation of the calibration models. The chemometric calibration model was prepared in spectral region 6500-4500 cm(-1) for standard alpha-tocopherol solutions (0.54-53.54 mg/mL). Obtained mean concentrations of natural alpha-tocopherol in different types of oils varied from 17.53 to 57.10 mg/100 g. Net analyte signal calculation was used to estimate detection limit (DL = 0.12 mg/mL), quantification limit (QL = 0.40 mg/mL), sensitivity (SEN = 0.045 mg/mL), and selectivity (SEL ranged between 0.24 and 0.54% of the measured reflectance signal) of the proposed NIR method. The comparable precision (RSD = 0.68-2.80% and 0.79-3.06%) and accuracy (recovery, 97.2-102.4% and 96.8-103.2%) for the proposed NIR and standard HPLC methods, demonstrate the benefit of the NIR method in the routine analysis of alpha-tocopherol in vegetable oils.  相似文献   

19.
二维相关光谱结合偏最小二乘法测定牛奶中的掺杂尿素   总被引：9，自引：5，他引：4  
为了检验牛奶中是否掺杂尿素并将其量化测定,配置含有尿素质量浓度范围为1～20g/L之间40个牛奶样品,以掺杂物尿素浓度为外扰,分别研究了掺杂尿素牛奶的二维相关(近红外-近红外,中红外-中红外,近红外-中红外)光谱特性,在此基础上,分别选择随浓度变化大的4200～4800cm-1和1400～1704cm-1为建模区间,采用偏最小二乘方法建立定量分析模型。研究结果表明:4200～4800cm-1建模分析效果优于1400～1704cm-1建模结果,其交叉验证均方根误差为0.266g/L,对未知样品集预测相关系数达到0.999,预测均方根误差为0.219g/L,这表明所建模型具有较好的预测效果。该方法无需样品处理,成本低,为快速判别牛奶是否掺杂提供了一种新的可能的方法。  相似文献   

20.
Tannin content and composition are critical quality components of red wines. No spectroscopic method assessing these phenols in wine has been described so far. We report here a new method using Fourier transform mid-infrared (FT-MIR) spectroscopy and chemometric techniques for the quantitative analysis of red wine tannins. Calibration models were developed using protein precipitation and phloroglucinolysis as analytical reference methods. After spectra preprocessing, six different predictive partial least-squares (PLS) models were evaluated, including the use of interval selection procedures such as iPLS and CSMWPLS. PLS regression with full-range (650-4000 cm(-1)), second derivative of the spectra and phloroglucinolysis as the reference method gave the most accurate determination for tannin concentration (RMSEC = 2.6%, RMSEP = 9.4%, r = 0.995). The prediction of the mean degree of polymerization (mDP) of the tannins also gave a reasonable prediction (RMSEC = 6.7%, RMSEP = 10.3%, r = 0.958). These results represent the first step in the development of a spectroscopic methodology for the quantification of several phenolic compounds that are critical for wine quality.  相似文献   

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