Indecomposable involutive set-theoretic solutions of the Yang–Baxter equation

We describe the indecomposable involutive non-degenerate set-theoretic solutions of the Yang–Baxter equation as dynamical extensions of non-degenerate left cycle sets. Moreover we characterize the indecomposable dynamical extensions and we produce several examples. As an application we construct a family of finite indecomposable solutions whose structure groups have not the unique product property.     

Kahweol inhibits adipogenesis of 3T3-L1 adipocytes through downregulation of PPARγ

Kahweol, a compound from Coffea arabica, possesses antioxidant, anti-inflammatory, and antitumour properties. However, an anti-adipogenic effect has not yet been reported. In this study, we have shown that kahweol has an anti-adipogenic effect on 3T3-L1 adipocytes. Kahweol significantly inhibited the differentiation of intracellular lipid accumulation in 3T3-L1 adipocytes, without being cytotoxic. It also downregulated the expression of adipogenesis-related gene, including an adipocytokine, adiponectin. This anti-adipogenic effect stems from an ability to inhibit key adipogenic regulators, including PPARγ and C/EBPα. These results demonstrate that kahweol significantly inhibits the differentiation of 3T3-L1 cells, and suggest that it has potential as a novel anti-obesity treatment.     

Using random forest to classify T-cell epitopes based on amino acid properties and molecular features

T-lymphocyte (T-cell) is a very important component in human immune system. T-cell epitopes can be used for the accurately monitoring the immune responses which activation by major histocompatibility complex (MHC), and rationally designing vaccines. Therefore, accurate prediction of T-cell epitopes is crucial for vaccine development and clinical immunology. In current study, two types peptide features, i.e., amino acid properties and chemical molecular features were used for the T-cell epitopes peptide representation. Based on these features, random forest (RF) algorithm, a powerful machine learning algorithm, was used to classify T-cell epitopes and non-T-cell epitopes. The classification accuracy, sensitivity, specificity, Matthews correlation coefficient (MCC), and area under the curve (AUC) values for proposed method are 97.54%, 97.22%, 97.60%, 0.9193, and 0.9868, respectively. These results indicate that current method based on the combined features and RF is effective for T-cell epitopes prediction.     

直觉I-Fuzzy拓扑空间的杨忠道定理

以L~*-格值上Lukasiewicz蕴含算子为工具引入了直觉I-Fuzzy拓扑空间中导集概念,接着给出它的一些性质,最后证明了直觉I-Fuzzy拓扑空间中导集的杨忠道定理.     

Concentration Dependence of NMR T1 in Agar Solutions

In this study, in order to explain solvent proton relaxation mechanism, the spin-lattice relaxation time (T1) of agar solutions was measured as a function of agar concentration. Relaxation measurements were carried out by a FT-NMR spectrometer operating at 60 MHz and inversion recovery pulse squence was used. Relaxation rate(1/T1a) was linearly proportional to concentration of agar solution (C), and the T1 mechanism of solvent water protons in agar solutions should be caused by the chemical exchange of water protons between free and bound water.     

Combined prostate diffusion tensor imaging and dynamic contrast enhanced MRI at 3T — quantitative correlation with biopsy

The purpose of this work was to compare diagnostic accuracy of Diffusion Tensor Imaging (DTI), dynamic contrast-enhanced magnetic resonance imaging (DCE MRI) and their combination in diagnosing prostate cancer. Twenty-five patients with clinical suspicion of prostate cancer underwent MRI, prior to transrectal ultrasound-guided biopsies. MRI data were correlated to biopsy results. Logistic regression models were constructed for the DTI parameters, DCE MRI parameters, and their combination. The areas under the receiver operator characteristic curves (AUC) were compared between the models. The nonparametric Wilcoxon signed rank test was used for statistical analysis. The sensitivity and specificity values were respectively 81% (74–87%) and 85% (79–90%) for DTI and 63% (55–70%) and 90% (85–94%) for DCE. The combination “DTI or DCE MRI” had 100% (97–100%) sensitivity and 77% (69–83%) specificity, while “DTI and DCE MRI” had 44% (37–52%) sensitivity and 98% (94–100%) specificity. The AUC for DTI+DCE parameters was significantly higher than that for either DTI (0.96 vs. 0.92, P=.0143) or DCE MRI parameters (0.96 vs. 0.87, P=.00187) alone. In conclusion, the combination of DTI and DCE MRI has significantly better accuracy in prostate cancer diagnosis than either technique alone.     

含氟体系中高性能T型分子筛膜的合成

含氟体系中,在负载晶种的大孔莫来石支撑体表面快速合成了高性能且取向生长的T型分子筛膜。采用XRD、SEM和MASNMR等手段对分子筛膜层和粉末进行表征。讨论了添加物、氟硅比、合成温度和合成时间等条件对膜生长与分离性能的影响,并阐述了含氟体系中T型分子筛膜快速晶化的机理。碱金属氟盐的加入促进了T型分子筛晶体层的晶化速率,并对晶体层形貌产生了一定的影响。膜应用于75℃、水/异丙醇（10：90,w/w）体系的平均渗透通量和分离因子分别为（4.91±0.18）kg·m^-2·h^-1和7060±1130。     

PICVib: An accurate,fast, and simple procedure to investigate selected vibrational modes at high theoretical levels

A new approach Procedure for Investigating Categories of Vibrations (PICVib) for estimating vibrational frequencies of selected modes using only the structure and energy calculations at a more demanding computational level is presented and explored. The PICVib has an excellent performance at only a small fraction of the computational demand required for a complete analytical calculation. The errors are smaller than ca. 0.5% when DFT functionals are combined with high level ab initio methods. The approach is general because it can use any quantum chemical program and electronic structure method. It is very robust because it was validated for a wide range of frequency values (ca. 20–4800 cm^–1) and systems: XH₃ (D_3h) with X = B, Al, Ga, N, P, As, O, S, and Se, YH₄ (D_4h) with Y = C, Si, and Ge, conformers of RDX, S_N2 and E2 reactions, [W(dppe)₂(NNC₅H₁₀)] complex, carbon nanotubes, and hydrogen‐bonded complexes including guanine‐cytosine pair. © 2012 Wiley Periodicals, Inc.     

Facile One‐Step Syntheses of Modified O‐Glycoprotein Galβ1‐3GalNAc Structures by Transglycosylation Employing Three β‐Galactosidases from Bovine Testes,Xanthomonas manihotis,and Bacillus circulans *

Natural O‐glycoproteins such as the Thomsen‐Friedenreich antigen or gangliosides contain the motif Galβ1‐3GalNAc as an important disaccharide with significant biologic activity. The arrangement of spatial functionalities in this structure are of particular interest with regard to the development of potential leads en route to pharmaceuticals. Therefore, it was desired to obtain access to a range of modified derivatives of the aforementioned motif paying particular attention to introducing specific deoxy functions instead of hydroxyl groups.