We prove a conjecture of Las Vergnas in dimensions d7: The matroid of the d-dimensional cube Cdhas a unique reorientation class. This extends a result of Las Vergnas, Roudneff and Salaün in dimension 4. Moreover, we determine the automorphism group Gdof the matroid of the d-cube Cdfor arbitrary dimension d, and we discuss its relation to the Coxeter group of Cd. We introduce matroid facets of the matroid of the d-cube in order to evaluate the order of Gd. These matroid facets turn out to be arbitrary pairs of parallel subfacets of the cube. We show that the Euclidean automorphism group Wd is a proper subgroup of the group Gd of all matroid symmetries of the d-cube by describing genuine matroid symmetries for each Euclidean facet. A main theorem asserts that any one of these matroid symmetries together with the Euclidean Coxeter symmetries generate the full automorphism group Gd. For the proof of Las Vergnas' conjecture we use essentially these symmetry results together with the fact that the reorientation class of an oriented matroid is determined by the labeled lower rank contractions of the oriented matroid. We also describe the Folkman-Lawrence representation of the vertex figure of the d-cube and a contraction of it. Finally, we apply our method of proof to show a result of Las Vergnas, Roudneff, and Salaün that the matroid of the 24-cell has a unique reorientation class, too. 相似文献
We present a series of new inhibitors of the association between nuclear factor kappa B (NF-B) and the corresponding B site in DNA. They were designed using the lead compound 15-deoxy-12,14 -prostaglandin J2 (PGJ2), which is a natural product with demonstrated inhibitory efficiency for this system. First, the binding mode of PGJ2 to NF-B was unraveled by GOLD docking calculation. Subsequently, substitutions were made to PGJ2 to optimize its association with NF-B. Care was taken not to strongly increase the reactivity of the new compounds, and to keep the overall shape, size and hydrophilicity of the lead compound, which should render them a similar bioavailability. Molecular mechanics calculations were performed to decide on the suitability of the substitutions, and to evaluate the energies of association with NF-B. Density functional theory calculations were performed also to study the overall reactivity of the substituted drugs towards NF-B. Important general conclusions were obtained, concerning the improvement of these natural inhibitors; namely, a set of rational methodologies were deduced to improve the association between the PGJ2 derivatives and NF-B, and their efficiency demonstrated by generating a set of substituted complexes, some of them with a very much increased affinity for NF-B, opening new doors to enlarge the therapeutic capabilities of this class of drugs. 相似文献
Caffeine (1,3,7-trimethylxanthine), theobromine (3,7-dimethylxanthine) and theophylline (1,3-dimethylxanthine) are the most important naturally occurring methylxanthines. Caffeine is a constituent of coffee and other beverage and included in many medicines. Theobromine and theophylline are formed as metabolites of caffeine in humans, and are also present in tea, cocoa and chocolate products.
In order to improve the chromatographic resolution (Rs) with a good analysis time, experimental designs were applied for multivariate optimisation of the experimental conditions of an isocratic reversed-phase high-performance liquid chromatographic (RP-HPLC) method used for the simultaneous determination of caffeine, theobromine and theophylline. The optimisation process was carried out in two steps using full three-level factorial designs. The factors optimised were: flow rate and mobile phase composition. Optimal conditions for the separation of the three methylxanthines were obtained using a mixture of water/ethanol/acetic acid (75:24:1%, v/v/v) as mobile phase and a flow rate of 1.0 mL min−1. The RP-HPLC/UV method was validated in terms of limit of detection (LOD), limit of quantitation (LOQ), linearity, recovery and the precision, calculated as relative standard deviation (R.S.D.). In these conditions, the LOD was 0.10 μg L−1 for caffeine, 0.07 μg L−1 for theobromine and 0.06 μg L−1 for theophylline. The proposed method is fast, requires no extraction step or derivatization and was suitable for quantification of these methylxanthines in coffee, tea and human urine samples. 相似文献
Conformational studies of 1,3‐dihydroxy‐4,4,5,5‐tetramethyl‐2‐(pyridin‐1‐yl)imidazolidine ( 1a ) and 1,3‐dihydroxy‐4,4,5,5‐tetramethyl‐2‐(pyridin‐3‐yl)imidazolidine ( 1b ), carried out by using 1D 1H‐ and 13C‐NMR and 2D HMQC, HMBC, and NOESY experiments and with the aid of theoretical calculations, indicate that the OH groups are trans to the pyridinyl substituent. Because the two 1H‐NMR signals of the Me groups are distinguishable and do not change between 290 and 380 K, it is proposed that 1a and 1b have each only one conformation in this temperature range. This behavior was not found with 1,3‐dihydroxy‐4,4,5,5‐tetramethyl‐2‐(pyridin‐2‐yl)imidazolidine ( 1c ) because its Me 1H‐NMR signals cross over at 300 K. Hence, more than one conformation must be present, beyond those produced by simple inversions. Theoretical calculations including temperature and solvent effects were performed to provide further information on the conformational analysis and to help to assign the NMR data. The combination of NMR measurements and quantum‐chemical calculations is shown to be a very promising strategy for conformational analysis studies in solution. 相似文献
Journal of Solid State Electrochemistry - Rapid methods using batch injection analysis (BIA) with amperometric detection were developed for the determination of quercetin extracted from the... 相似文献
Several severe neurodegenerative disorders, including Alzheimer’s disease, Parkinson’s disease, and prion-associated transmissible spongiform encephalopathies, have been linked to dysregulation of specific proteins capable of self-assembly into deleterious fibrillar aggregates termed amyloids. A wide range of analytical techniques has been used to clarify the mechanisms of these protein-misfolding processes, in the hope of developing effective therapeutic treatment. Most of these studies have relied heavily on conventional methods of protein characterization, notably circular dichroism spectroscopy, thioflavin T fluorescence, transmission electron microscopy, and atomic force microscopy, which are particularly suitable for monitoring later-stage aggregate formation. Although electrochemical methods of protein detection have existed for some time, they have only recently gained prominence as a powerful tool for studying the early stages of protein aggregation during which the more toxic soluble amyloid species form. Electrochemical detection methods include direct detection of intrinsic redox-active amino acid residues, protein-catalyzed hydrogen evolution, use of extrinsic β-sheet binding mediators, and impedance spectroscopy. In this review, we evaluate the use of electrochemistry for study of protein aggregation related to neurodegenerative disorders.
We investigate several quantities, defined in the decays of top quark pairs, which can be used to explore non-standard Wtb interactions. Two new angular asymmetries are introduced in the leptonic decay of top (anti)quarks. Both are very sensitive
to anomalous Wtb couplings, and their measurement allows for a precise determination of the W helicity fractions. We also examine other angular
and energy asymmetries, the W helicity fractions and their ratios, as well as spin correlation asymmetries, analysing their
dependence on anomalous Wtb couplings and identifing the quantities which are most sensitive to them. It is explicitly shown that spin correlation asymmetries
are less sensitive to new interactions in the decay of the top quark; therefore, when combined with the measurement of other
observables, they can be used to determine the tt̄ spin correlation even in the presence of anomalous Wtb couplings. We finally discuss some asymmetries which can be used to test CP violation in tt̄ production and complex phases
in the effective Wtb vertex. 相似文献
Overconsumption of sugar-sweetened beverages may increase the risk of health problems and so, the evaluation of their glycemic load and fructose-intolerance level is essential since it may allow establishing possible relations between physiologic effects of sugar-rich beverages and health. In this work, an electronic tongue was used to accurately classify beverages according to glycemic load (low, medium or high load) as well to their adequacy for people suffering from fructose malabsorption syndrome (tolerable or not): 100% of correct classifications (leave-one-out cross-validation) using linear discriminant models based on potentiomentric signals selected by a meta-heuristic simulated annealing algorithm. These results may be partially explained by the electronic tongue’s capability to mimic the human sweetness perception and total acid flavor of beverages, which can be related with glycemic load and fructose-intolerance index. Finally, the E-tongue was also applied to quantify, accurately, healthy and sensory indexes using multiple linear regression models (leave-one-out cross-validation: Radj > 0.99) in the following dynamic ranges: 4.7 < glycemic load ≤ 30; 0.4 < fructose intolerance index ≤ 1.5; 32 < sweetness perception < 155; 1.3 < total acid flavor, g L−1 < 8.3; and, 5.8 < well-balanced flavor ≤ 74. So, the proposed electronic tongue could be used as a practical, fast, low-cost and green tool for beverage’s healthy and sensory evaluation. 相似文献