High-resolution nuclear magnetic resonance spectroscopy and multivariate analysis for the characterization of beer   总被引：3，自引：0，他引：3  

Duarte I  Barros A  Belton PS  Righelato R  Spraul M  Humpfer E  Gil AM 《Journal of agricultural and food chemistry》2002,50(9):2475-2481

Beer contains a very complex mixture of nutrients, which in this work are identified to some extent by high-field high-resolution nuclear magnetic resonance (NMR) one- and two-dimensional methods. The (1)H NMR spectrum of beer shows a predominance of strongly overlapped peaks arising from several carbohydrates. Minor components are clearly observed both in the aliphatic and in the aromatic regions of the spectrum. With the aid of two-dimensional methods, spectral assignment was carried out, enabling the identification of approximately 30 compounds and identifying about the same number of spin systems for further assignment. The variability of the spectral profile of beers differing in type and label was studied by principal component analysis (PCA), and it was found that, although some distinction is achieved on the basis of the aliphatic and sugar compositions, clearer separation between ales and lagers is obtained by PCA of the aromatic profiles alone. The potential of this technique as a rapid and informative quality control tool is discussed.  相似文献   

Aroma quality differentiation of pyrazine derivatives using self-organizing molecular field analysis and artificial neural network   总被引：2，自引：0，他引：2  

Klocker J  Wailzer B  Buchbauer G  Wolschann P 《Journal of agricultural and food chemistry》2002,50(14):4069-4075

The encoding of various aroma impressions and the distinction between different aroma qualities are unsolved problems, as differences between aroma impressions can be described only in a qualitative but not in a quantitative manner. As a consequence, classifications of various aroma qualities cannot easily be performed by standard QSAR methods. To find a proper way to encode aroma impressions for SAR studies, a total of 50 pyrazine-based aroma compounds showing the aroma quality of earthy, green-earthy, or green are analyzed. Special attention is thereby turned on the mixed aroma impression green-earthy. Classifications on the whole data set as well as on smaller subsets are calculated using self-organizing molecular field analysis (SOMFA) and artificial neural networks (ANNs). SOMFA classifies between two or three aroma impressions, leading to models satisfying in predictive power. ANN analysis using multilayer perceptron network architecture with one hidden layer and nominal output as well as genetic regression neural network) with two hidden layers and numerical output both lead to a rather good performance rate of 94%.  相似文献   

Characterization of selenium species in Brazil nuts by HPLC-ICP-MS and ES-MS     

Vonderheide AP  Wrobel K  Kannamkumarath SS  B'Hymer C  Montes-Bayón M  Ponce De León C  Caruso JA 《Journal of agricultural and food chemistry》2002,50(20):5722-5728

Brazil nuts have been classified as the foodstuffs that contain the highest level of unadulterated selenium, an essential trace element that appears to prevent cancer. To date, characterization of the selenium species in brazil nuts has not yet been investigated. In this work, various sample preparation approaches, including microwave extractions and enzymatic treatments, are examined with the goal of species preservation and subsequent selenium speciation; of these approaches, an enzymatic treatment with Proteinase K proved most effective. High-performance liquid chromatography (HPLC) separation strategies and inductively coupled plasma mass spectrometry (ICP-MS) detection schemes will also be presented. Extracts are evaluated against available standards for the commercially obtainable seleno-amino acids, selenomethionine (SeMet), selenoethionine (SeEt), and selenocystine (SeCys); selenomethionine was demonstrated to be the most abundant of these seleno-amino acids. Further characterization of unidentified selenium-containing peaks is attempted by the employment of several procedures, including electrospray-mass spectrometry (ES-MS). A peptide structure was identified; however, this was considered a tentative proposal due to the large background produced by the extremely complicated brazil nut matrix.  相似文献   

Multi-scale system approaches in agronomic research at the landscape level   总被引：7，自引：0，他引：7  

A. Veldkamp  K. Kok  G. H. J. De Koning  J. M. Schoorl  M. P. W. Sonneveld  P. H. Verburg 《Soil & Tillage Research》2001,58(3-4):129-140

Spatial multi-scale analyses of actual land use system performance as determined by spatial yield variability reveals the need for landscape research in agronomy. Main ‘drivers’ of spatial yield variability for five different crops in Honduras, Costa Rica and Ecuador were identified. It is demonstrated how they vary with spatial scales and that landscape-related factors often play a large and significant role in when the variability in yield is determined. These results indicate that landscape experiments in agronomy are relevant. Apart from empirical analysis, spatial–temporal explicit modeling of landscape process dynamics such as water and soil redistribution within a landscape can give insight in the performance of agronomic systems within a dynamic landscape context. For a case study in the South of Spain it is demonstrated how within a landscape this type of research can determine the on- and off-site effects of water and soil redistribution in agro-ecosystems. Only after a spatially explicit multi-scale system analysis and explorative landscape process modeling is completed, relevant agronomic landscape experiments can be designed.  相似文献   

Production, purification, and properties of an endoglucanase produced by the hyphomycete Chalara (Syn. Thielaviopsis) paradoxa CH32     

Lucas R  Robles A  García MT  Alvarez De Cienfuegos G  Gálvez A 《Journal of agricultural and food chemistry》2001,49(1):79-85

The hyphomycete Chalara (syn. Thielaviopsis) paradoxa produces endoglucanase activity during the late trophophase. The low molecular mass (35 kDa) endoglucanase purified from cultured broths works optimally at 37 degrees C and pH 5.0. The enzyme inactivates at pH below 3.0 and also at temperatures of 50 degrees C or higher, but it is stable at lower temperatures, including refrigeration temperature and freezing. The enzyme is inhibited by detergents, by EDTA, and by the divalent cations Hg(2+) and Ag(2+). It is also inhibited to some extent by 10 mM Zn(2+), Fe(2+), and Mg(2+), but it is stimulated by Mn(2+). Enzyme activity is not affected by reducing agents. In the presence of low concentrations of water miscible organic solvents (20%) endoglucanase activity is inhibited by 7% (for methanol) to 50% (for acetonitrile), and it is totally inhibited at higher solvent concentrations (50%). Enzyme activity is not affected by the water immiscible solvent ethyl acetate. Carboxymethylcellulose is the preferred substrate (K(m(app)) = 8.3 g/L; V(max(app)) = 1.1 microM/min). Hydrolysis of crystalline cellulosic substrates is very limited, but it is greatly enhanced by phosphoric acid swelling. The purified enzyme shows no activity toward disaccharides or aryl-glucosides. Its activity is inhibited by cellobiose.  相似文献   

Thermal oxidation of 9'-cis-neoxanthin in a model system containing peroxyacetic acid leads to the potent odorant beta-damascenone     

Bezman Y  Bilkis I  Winterhalter P  Fleischmann P  Rouseff RL  Baldermann S  Naim M 《Journal of agricultural and food chemistry》2005,53(23):9199-9206

The potent odorant beta-damascenone was formed directly from 9'-cis-neoxanthin in a model system by peroxyacetic acid oxidation and two-phase thermal degradation without the involvement of enzymatic activity. Beta-damascenone formation was heavily dependent on pH (optimum at 5.0) and temperature, occurring over the two sequential phases. The first was incubation with peroxyacetic acid at 60 degrees C for 90 min, and the second was at above 90 degrees C for 20 min. Only traces of beta-damascenone were formed on application of only one of the two phases. Formate and citrate solutions produced a much better environment for beta-damascenone formation than acetate and phosphate. About 7 microg/L beta-damascenone was formed from 5.8 mg/L 9'-cis-neoxanthin under optimal experimental condition. The detailed pathway by which beta-damascenone is formed remains to be elucidated.  相似文献   

Assay of aroma active components of virgin olive oils from southern Italian regions by SPME-GC/ion trap mass spectrometry     

Benincasa C  De Nino A  Lombardo N  Perri E  Sindona G  Tagarelli A 《Journal of agricultural and food chemistry》2003,51(3):733-741

An SPME-GC/ion trap method was exploited to determine the chromatogram of volatile compounds of organic olive oils of southern Italian regions. The method is based on the assay of the terminal species of the "lipoxygenase pathway", which are present in the volatile fraction of the sampled compounds. Ethyl isobutanoate was used as internal standard in either the EI or CI ionization mode. The absolute concentration values of each analyte were evaluated through good-to-excellent calibration curves. Case studies on oils obtained from different cultivars or harvesting times are presented. The quantitative data for each compound were subjected to principal component analysis to characterize the different cultivars of this work.  相似文献   

Development of an indirect competitive ELISA for flumequine residues in raw milk using chicken egg yolk antibodies   总被引：3，自引：0，他引：3  

Van Coillie E  De Block J  Reybroeck W 《Journal of agricultural and food chemistry》2004,52(16):4975-4978

To detect flumequine in raw milk, an indirect competitive enzyme-linked immunosorbent assay (ELISA) was developed. By carbodiimide conjugation, flumequine was conjugated to cationized bovine serum albumin (cBSA-flumequine) and to cationized ovalbumin (cOVA-flumequine). For the immunization of chickens, cBSA-flumequine was used, which allowed the isolation of specific chicken egg yolk immunoglobulins (IgY) for flumequine. As the coating antigen in the immunoassay, cOVA-flumequine was used. In the indirect competitive assay, standard flumequine was incubated together with the anti-flumequine antibodies. The antibody by which the lowest concentration of free flumequine that gives 50% inhibition of binding (IC50) was found in aqueous dilution was further tested for the applicability to detect flumequine in raw milk. An IC50 level in milk was reached that was about 5 times lower than in aqueous solution. So flumequine can be detected directly in raw milk at maximum residue level (50 microg/kg). No cross-reactivity was noticed with various related quinolones.  相似文献   

Isolation and identification of novel pyranoanthocyanins from black carrot (Daucus carota L.) juice     

Schwarz M  Wray V  Winterhalter P 《Journal of agricultural and food chemistry》2004,52(16):5095-5101

Six novel pyranoanthocyanins were identified by HPLC-ESI-MSn in black carrot (Daucus carota L. ssp. sativus var. atrorubens Alef.) juice. The two major compounds, namely, the vinylcatechol adducts of cyanidin 3-O-(6-O-feruloyl-beta-D-glucopyranosyl)-(1-->6)-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranoside and cyanidin 3-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranoside, respectively, were isolated by a combination of high-speed countercurrent chromatography with semipreparative HPLC. Their structures were fully elucidated by means of one- and two-dimensional NMR spectroscopy and high-resolution mass spectrometry. The four remaining pigments were characterized as the vinylphenol and vinylguaiacol adducts of cyanidin 3-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranoside, the vinylguaiacol adduct of cyanidin 3-O-(6-O-feruloyl-beta-D-glucopyranosyl)-(1-->6)-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranoside, and the vinylcatechol adduct of cyanidin 3-O-(6-O-sinapoyl-beta-d-glucopyranosyl)-(1-->6)-[beta-D-xylopyranosyl-(1-->2)]-beta-D-galactopyranoside. These compounds are formed during storage of the juice through the direct reaction of either caffeic, ferulic, or coumaric acid with the respective genuine anthocyanins.  相似文献   

Sedimentary aggregates in the Peoria Loess of Nebraska, USA     

Joseph A. Mason  Peter M. Jacobs  Richard S. B. Greene  W. D. Nettleton 《CATENA》2003,53(4):574

Loess grain size data used to infer transport direction or wind strength are generally derived from vigorously disaggregated samples. However, these data may not adequately represent the effective particle size distribution during loess transport, if the transported dust contained aggregates of fine-grained material. Thin sections of minimally altered C and BC horizons in the late Pleistocene Peoria Loess of Nebraska, USA, indicate the presence of aggregates with diameters of 30–1000 μm. The larger aggregates (>250 μm) are unlikely to have been transported, and are interpreted as the result of soil faunal activity and other pedogenic processes after deposition. Aggregates smaller than 250 μm could have a similar origin, but laser diffraction particle size analysis suggests that many are sedimentary particles. Comparison of minimally and fully dispersed particle size distributions from each sampling site was used to estimate the modal diameter of aggregates. The aggregate modal diameter becomes finer with decreasing loess thickness, representing increasing distance from the source. A similar trend was observed in the modal diameter of fully dispersed particle size distributions, which represents the mode of sand and silt transported as individual grains. We interpret both trends as the result of sorting during transport, supporting the interpretation that many of the aggregates were transported rather than formed in place. Aggregate content appears to increase with distance from the source, explaining a much more rapid downwind increase in clay content than would be expected if clay were transported as particles smaller than 2 μm diameter. Although the Peoria Loess of Nebraska contains sedimentary aggregates, many of the coarse silt and sand grains in this loess were transported as primary particles, were thoroughly exposed to sunlight and are potentially well suited for luminescence dating.  相似文献