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1.
NMR data prediction is increasingly important in structure elucidation. The impact of force field selection was assessed, along with geometry and energy cutoffs. Based on the conclusions, we propose a new approach named mix-J-DP4, which provides a remarkable increase in the confidence level of complex stereochemical assignments—100% in our molecular test set—with a very modest increment in computational cost. 相似文献
2.
3.
Torés Juan Antonio González María Dolores Pozo Eva Urdiales José Luis Medina Miguel Ángel Sánchez-Jiménez Francisca 《Phytoparasitica》1999,27(3):207-213
Chlorpheniramine (CPA) is an antihistaminic that changes the conformation of DNA and inhibits polyamine biosynthesis in mammalian
cells. In the present work, we tested the effect of CPA on four genera of fungi species (Altemaria alternata, Botrytis cinerea, Cladosporium cladosporioides and threePenicillium spp.) grownin vitro. Similar growth inhibitions of these genera were produced by 0.5 raM iprodione, CPA and histidinol, but CPA was the most effective.
The CPA sensitivities of the twoB. cinerea strains were different. Putrescine did not restore the fungal growth inhibited by CPA. 相似文献
4.
Fernando González-Andrés Pedro A. Casquero Cristina San-Pedro Elías Hernández-Sánchez 《Genetic Resources and Crop Evolution》2007,54(1):27-44
All the accessions (35) of white lupin (Lupinus albus L.) landraces collected from northwest Iberian plateau and maintained at the Spanish germplasm collection (CRF of INIA),
were studied with the general objective of assessing the biodiversity of these landraces and to ascertain their value as genetic
resources for the development of germplasm adapted to the areas where they were collected with long and chilly winters. The
characterization study comprised 51 qualitative and 50 quantitative characters. Quantitative parameters were analyzed by Principal
Components Analysis (PCA). The 2-dimensional plot (49.3% of cumulative variability) formed a main group of accessions and
4 outliers (#1, #9, #27 and #28) separated in the first PC. The characters with a higher contribution to the first PC were
inflorescence length, leaf petiole length and leaf central foliole area. The presence of alkaloids, the percentage of plants
killed by soil borne fungal diseases, the phenology, the yield per plant and yield components were also assessed. Twenty six
accessions (the main group in the PCA plot) showed high homogeneity, with the following highlights: bitterness, indeterminate
growth habit, early ripeness and spring sowing with the exception of #18, in which seeding date is unknown and it had a later
phenology. By contrast accessions #9 and #27 were bitter of autumn sowing with determinate growing habit and they had the
longest values of primary inflorescence length and a later phenology when they were sown in spring. Average values for yield
and yield components showed a broad range of variation between accessions. The main yield component was the number of pods
per plant. Accession #22 had the highest mean seed mass, although this had not significant influence in yield. Accession #17
showed the highest yield and #1 the lowest. This last also had the lowest values of inflorescence length, leaf petiole length
and leaf central foliole area. No significant differences of resistance to soil-borne fungi were found between accessions.
The year had a significant effect in the phenology, yield and yield components except for number of seeds per pod. The studied
material might be of interest for the development of spring sowing germplasm adapted to north Iberian peninsula. 相似文献
5.
Marongiu B Piras A Porcedda S Tuveri E Sanjust E Meli M Sollai F Zucca P Rescigno A 《Journal of agricultural and food chemistry》2007,55(24):10022-10027
The volatile oil of the bark of Cinnamomum zeylanicum was extracted by means of supercritical CO2 fluid extraction in different conditions of pressure and temperature. Its chemical composition was characterized by GC-MS analysis. Nineteen compounds, which in the supercritical extract represented >95% of the oil, were identified. (E)-Cinnamaldehyde (77.1%), (E)-beta-caryophyllene (6.0%), alpha-terpineol (4.4%), and eugenol (3.0%) were found to be the major constituents. The SFE oil of cinnamon was screened for its biological activity about the formation of melanin in vitro. The extract showed antityrosinase activity and was able to reduce the formation of insoluble flakes of melanin from tyrosine. The oil also delayed the browning effect in apple homogenate. (E)-Cinnamaldehyde and eugenol were found to be mainly responsible of this inhibition effect. 相似文献
6.
Jiménez-Escrig A Dragsted LO Daneshvar B Pulido R Saura-Calixto F 《Journal of agricultural and food chemistry》2003,51(18):5540-5545
Artichoke (Cynara scolymus L.), an edible vegetable from the Mediterranean area, is a good source of natural antioxidants such as vitamin C, hydroxycinnamic acids, and flavones. The antioxidant activity of aqueous-organic extracts of artichoke were determined using three methods: (a) free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH(*)) scavenging, (b) ferric-reducing antioxidant power (FRAP), and (c) inhibition of copper(II)-catalyzed in vitro human low-density lipoprotein (LDL) oxidation. In addition, the present study was performed to investigate the ability of the edible portion of artichoke to alter in vivo antioxidative defense in male rats using selected biomarkers of antioxidant status. One gram (dry matter) had a DPPH(*) activity and a FRAP value in vitro equivalent to those of 29.2 and 62.6 mg of vitamin C and to those of 77.9 and 159 mg of vitamin E, respectively. Artichoke extracts showed good efficiency in the inhibition in vitro of LDL oxidation. Neither ferric-reducing ability nor 2,2'-azinobis(3-ethylbenzothiazolin-6-sulfonate) radical scavenging activity was modified in the plasma of the artichoke group with respect to the control group. Among different antioxidant enzymes measured (superoxide dismutase, gluthatione peroxidase, gluthatione reductase, and catalase) in erythrocytes, only gluthatione peroxidase activity was elevated in the artichoke group compared to the control group. 2-Aminoadipic semialdehyde, a protein oxidation biomarker, was decreased in plasma proteins and hemoglobin in the artichoke-fed group versus the control group. In conclusion, the in vitro protective activity of artichoke was confirmed in a rat model. 相似文献
7.
Remo Bucci Andrea D Magrí Antonio L Magrí Domenico Marini Federico Marini 《Journal of agricultural and food chemistry》2002,50(3):413-418
This work has focused on discriminating extra virgin olive oils from Sabina (Lazio, Italy) by olive fruit variety (cultivar). A set of oils from five of the most widespread cultivars (Carboncella, Frantoio, Leccino, Moraiolo, and Pendolino) in this geographical area was analyzed for chemical composition using only the Official Analytical Methods, recognized for the quality control and commercial classification of this product. The obtained data set was converted into a computer-compatible format, and principal component analysis (PCA) and a method based on the Fisher F ratio were used to reduce the number of variables without a significant loss of chemical information. Then, to differentiate these samples, two supervised chemometric procedures were applied to process the experimental data: linear discriminant analysis (LDA) and artificial neural network (ANN) using the back-propagation algorithm. It was found that both of these techniques were able to generalize and correctly predict all of the samples in the test set. However, these results were obtained using 10 variables for LDA and 6 (the major fatty acid percentages, determined by a single gas chromatogram) for ANN, which, in this case, appears to provide a better prediction ability and a simpler chemical analysis. Finally, it is pointed out that, to achieve the correct authentication of all samples, the selected training set must be representative of the whole data set. 相似文献
8.
Romero C Brenes M García P Garrido A 《Journal of agricultural and food chemistry》2002,50(13):3835-3839
There is increasing interest in olive polyphenols because of their biological properties as well as their contribution to the color, taste, and shelf life of olive products. However, some of these compounds remain unidentified. It has been shown that hydroxytyrosol 4-beta-D-glucoside (4-beta-D-glucosyl-3-hydroxyphenylethanol) coeluted with hydroxytyrosol [(3,4-dihydroxyphenyl)ethanol] under reversed phase conditions in the phenolic chromatograms of olive pulp, vegetation water, and pomace of olive oil processing. A method to separate this compound from hydroxytyrosol by HPLC has been developed. The concentration of this glucoside increased in olive pulp with maturation and could be the main phenolic compound in mature olives. In contrast, the presence of this compound was not detected in olive oil by using HPLC-MS. The compound must be considered both in table olives and olive oil processing because of its glucose and hydroxytyrosol contribution to these products. 相似文献
9.
Antonio G. Caporale Massimo Pigna Alessia Sommella Pellegrino Conte 《Biology and Fertility of Soils》2014,50(8):1211-1222
Biomass-derived biochar is considered as a promising heavy metal adsorbent, due to abundance of polar functional groups, such as carboxylic, hydroxyl, and amino groups, which are available for heavy metal removal. The aims of this study were to evaluate the effectiveness of an orchard pruning-derived biochar in removing some heavy metals (through the evaluation of isotherms) and to study water dynamics at the solid-liquid interface as affected by heavy metal adsorption (through an innovative nuclear magnetic resonance (NMR) relaxometry approach). Both isotherms and NMR spectra revealed that Pb and Cr showed a good affinity for the biochar surface (Pb > Cr), while Cu was less affine. Accordingly, higher amounts of Pb and Cr were adsorbed by biochar as compared to those of Cu in the single systems. In binary systems (i.e., when two metals were applied simultaneously), Pb showed the highest inhibition of the adsorption of the other two metals, whereas the opposite was evidenced when Cu was used; the competitive adsorption was also strongly influenced by the metal residence time on biochar surface. In ternary systems (i.e., when all metals were applied simultaneously), even in the presence of high amounts of Pb and Cr, considerable adsorption of Cu occurred, indicating that some biochar adsorption sites were highly specific for a single metal. 相似文献
10.
Ana de Santiago Alejandra Expósito José M. Quintero Eusebio Carmona Antonio Delgado 《Journal of plant nutrition》2013,36(2):143-156
Humic substances improve the efficiency of different iron (Fe) sources overcoming Fe deficiency chlorosis of plants. However, applied at high rates, they can promote negative effects on plants. The main objective of this work was to study the potential adverse effect of three humic acids from different origin when they were applied with two effective Fe sources for plants: Fe- ethylenediaminedihydroxyphenylacetic acid (EDDHA) and Vivianite. To this end, an experiment with lupin (Lupinus albus L.) was performed involving two factors: (i) Fe source, and (ii) humic substances from three different origin (composted cork, leonardite, and compost obtained from a mixture of olive husk with cotton gin trash) applied at 0, 0.1, and 0.5 g organic carbon (C) kg?1 of growing media. At the rates used, humic substances promoted adverse effects on plant development, chlorophyll meter readings, and Fe content in lupin grown in calcareous media. Overall, the effect on dry matter and Fe content in plants was more relevant when Fe was supplied with Vivianite, the effect on chlorophyll meter readings being more significant when Fe was applied as Fe-EDDHA. Differences were also observed depending on the source of humic substances, those from leonardite promoting the greatest decrease in dry matter in roots and shoots. These humic substances possessed the highest values of spectroscopy index for aromaticity (A254 ). On the other hand, the application of humic substances from olive husk compost, which exhibited the lower aromaticity index, resulted in the smallest decrease in dry matter production and chlorophyll meter readings. Dry matter in roots decreased logarithmically with increased values of the estimates of the amounts of aromatic compounds accumulated in the growing media (R2 = 0.92; P < 0.01) with Vivianite as Fe source. Thus, the effects decreasing dry matter production, particularly in roots, and chlorophyll meter readings can be ascribed at least partially to the presence of phytotoxic aromatic compounds in humic substances. 相似文献