Convenient thionation of triglycerides with lawessons reagent

Thionation using the Lawesson’s reagent (LR) led to quantitative and selective replacement of carbonyl groups (C=O) with thionocarbonyl groups (C=S). Mixtures of thionotriglycerides were obtained by reaction of 2,4-bis (p-methoxyphenyl)-1,3-dithia-2,4-diphosphetane-2,4-disulfide in suspension with triglycerides (TG). With a molar ratio (LR)/(TG)=3∶2, there was complete exchange of C=O with C=S in the carboxylic groups of the TG. The yield is over 90%. The two P=S ligands in the LR confer a double reactivity, producing a high power of thionation. Fourier transform infrared spectroscopy was employed for quantitative and qualitative characterization of the thionated TG and for monitoring the progress of partial or total thionation as conditioned by the molar ratios of the starting compounds. Thus, with molar ration LR/TG of 0.108, 0.36, and 0.72, we obtained around 6, 20, and 40% of C=O conversion, respectively.     

超声波辅助碱性H_2O_2法提取酒糟半纤维素组分B

采用超声波辅助碱性H2O2法从酒糟中分离半纤维素B(DGHB),研究碱性提取剂中H2O2体积分数、超声波功率和超声波时间等因素对DGHB得率的影响,并采用L9(33)正交试验对提取条件进行优化。结果表明,超声波辅助碱性H2O2法提取DGHB的最佳条件为:提取剂中的H2O2体积分数2.0%,超声波功率400 W,超声波辐射时间15 min。在该最佳条件下,DGHB得率为28.57%。傅里叶变换红外光谱分析表明,所提取的DGHB具有半纤维素多糖的特征吸收峰。该研究结果可为酒糟半纤维素分离的工业化应用提供参考。     

元青花《昭君出塞》罐艺术特征与主题思想研究

昭君出塞故事源于汉代,绵延流传,元青花《昭君出塞》罐表现的即为昭君出塞故事题材。元青花《昭君出塞》罐具有鲜明的艺术特征,同时,亦具有丰富而深邃的主题思想内涵。     

Homogeneous catalytic hydrogenation of hydroxyl‐terminated liquid nitrile rubber

It was difficult to obtain high degree of hydrogenation of hydroxyl‐terminated liquid nitrile rubber (HTBN) by using homogeneous noble metal catalyst because the hydroxyl (? OH) in HTBN was likely to cause catalyst poisoning. In this study, with hexamethyl disilylamine protecting ? OH, a good yields of hydrogenated HTBN was synthesized through the use of homogeneous metal catalyst. The effects of catalyst concentration, reaction time, hydrogen pressure, and temperature on the hydrogenation of HTBN were investigated and obtained the following optimum process parameter values: catalyst mass fraction of 0.8%, reaction time of 8 h, pressure of 1.6 MPa, and temperature of 100°C. Fourier transform infrared spectroscopy and nuclear magnetic resonance spectroscopy were used to characterize the hydrogenation product of the protected HTBN, indicating that under certain conditions a high degree of hydrogenation of HTBN can be achieved. Only the carbon–carbon double bonds (C?C), not the ? CN bonds, are subject to hydrogenation. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012     

The Solvent Extraction Performance of N,N’-Dimethyl-N,N’-Dibutylmalonamide Towards Platinum and Palladium in Chloride Media

The solvent extraction performance of N,N’-dimethyl-N,N’-dibutylmalonamide (DMDBMA) in 1,2-dichloroethane (1,2-DCE) towards platinum(IV) and palladium(II) in hydrochloric acid media was systematically evaluated. Pt(IV) extraction (%E) increases with the HCl concentration in the aqueous phases, being always higher than 72%, whereas Pd(II) extraction decreases from 65% at 1 M HCl to 22% at 8 M HCl. Several stripping agents for the two metals were tested: Pt(IV) is successfully recovered by a 1 M sodium thiosulfate solution, whereas the best result for Pd(II) was achieved with 0.1 M thiourea in 1 M HCl. The loading capacity of DMDBMA for Pt(IV) is high, and data obtained from successive extraction-stripping cycles suggest a good DMDBMA stability pattern. Attempts to replace 1,2-DCE by more environmentally-friendly diluents showed, in general, worse %E for Pt(IV). The dependence of Pt(IV) distribution coefficients on DMDBMA and chloride ion concentrations, as well as on acidity, are the basis of a proposal for the composition of Pt(IV) extracted species.     

Quantum transport simulations of graphene nanoribbon devices using Dirac equation calibrated with tight-binding π-bond model

We present an efficient approach to study the carrier transport in graphene nanoribbon (GNR) devices using the non-equilibrium Green''s function approach (NEGF) based on the Dirac equation calibrated to the tight-binding π-bond model for graphene. The approach has the advantage of the computational efficiency of the Dirac equation and still captures sufficient quantitative details of the bandstructure from the tight-binding π-bond model for graphene. We demonstrate how the exact self-energies due to the leads can be calculated in the NEGF-Dirac model. We apply our approach to GNR systems of different widths subjecting to different potential profiles to characterize their device physics. Specifically, the validity and accuracy of our approach will be demonstrated by benchmarking the density of states and transmissions characteristics with that of the more expensive transport calculations for the tight-binding π-bond model.     

Structural optimization of a settler via CFD simulation in a mixer-settler

This work is aimed at optimizing a settler structure in a mixer-settler.Two different aspects have been considered.Firstly,the flowcharacteristics of a settler have been examined by computational fluid dynamics(CFD)simulation with various agitation speeds of the mixer,as well as organic phase volume fractions ranging from 0.075 to 0.6.The aqueous and organic phase turbulent flow fields were measured by particle image velocimetry(PIV) technique to verify the CFD simulation.Two organic phases with different physical properties were assessed in the CFD simulation to simulate the liquid-liquid systems related to rare earth element extraction,i.e.,0.072 mol·L~(-1) P507/kerosene and 1.8 mol·L~(-1) P507/kerosene.Secondly,the CFD simulation was carried out in a settler equipped with baffles.The effects of number and location of the baffle in the settler on flow features and entrainments of the aqueous and organic outlet were analyzed.Meanwhile,different settler/mixer volume ratios were also examined.By analyses and comparisons,an optimal design for settler was proposed.CFD can provide a significant guidance to better mixer-settler design.     

A Potent Mimetic of the Siglec-8 Ligand 6’-Sulfo-Sialyl Lewisx

Siglecs are members of the immunoglobulin gene family containing sialic acid binding N-terminal domains. Among them, Siglec-8 is expressed on various cell types of the immune system such as eosinophils, mast cells and weakly on basophils. Cross-linking of Siglec-8 with monoclonal antibodies triggers apoptosis in eosinophils and inhibits degranulation of mast cells, making Siglec-8 a promising target for the treatment of eosinophil- and mast cell-associated diseases such as asthma. The tetrasaccharide 6’-sulfo-sialyl Lewis^x has been identified as a specific Siglec-8 ligand in glycan array screening. Here, we describe an extended study enlightening the pharmacophores of 6’-sulfo-sialyl Lewis^x and the successful development of a high-affinity mimetic. Retaining the neuraminic acid core, the introduction of a carbocyclic mimetic of the Gal moiety and a sulfonamide substituent in the 9-position gave a 20-fold improved binding affinity. Finally, the residence time, which usually is the Achilles tendon of carbohydrate/lectin interactions, could be improved.     

A Student's t-based density peaks clustering with superpixel segmentation (tDPCSS) method for image color clustering

Image color clustering is a basic technique in image processing and computer vision, which is often applied in image segmentation, color transfer, contrast enhancement, object detection, skin color capture, and so forth. Various clustering algorithms have been employed for image color clustering in recent years. However, most of the algorithms require a large amount of memory or a predetermined number of clusters. In addition, some of the existing algorithms are sensitive to the parameter configurations. In order to tackle the above problems, we propose an image color clustering method named Student's t-based density peaks clustering with superpixel segmentation (tDPCSS), which can automatically obtain clustering results, without requiring a large amount of memory, and is not dependent on the parameters of the algorithm or the number of clusters. In tDPCSS, superpixels are obtained based on automatic and constrained simple non-iterative clustering, to automatically decrease the image data volume. A Student's t kernel function and a cluster center selection method are adopted to eliminate the dependence of the density peak clustering on parameters and the number of clusters, respectively. The experiments undertaken in this study confirmed that the proposed approach outperforms k-means, fuzzy c-means, mean-shift clustering, and density peak clustering with superpixel segmentation in the accuracy of the cluster centers and the validity of the clustering results.     

Role of Post-translational Modifications in Alzheimer's Disease

The global burden of Alzheimer's disease (AD) is growing. Valiant efforts to develop clinical candidates for treatment have continuously met with failure. Currently available palliative treatments are temporary and there is a constant need to search for reliable disease pathways, biomarkers and drug targets for developing diagnostic and therapeutic tools to address the unmet medical needs of AD. Challenges in drug-discovery efforts raise further questions about the strategies of current conventional diagnosis; drug design; and understanding of disease pathways, biomarkers and targets. In this context, post-translational modifications (PTMs) regulate protein trafficking, function and degradation, and their in-depth study plays a significant role in the identification of novel biomarkers and drug targets. Aberrant PTMs of disease-relevant proteins could trigger pathological pathways, leading to disease progression. Advancements in proteomics enable the generation of patterns or signatures of such modifications, and thus, provide a versatile platform to develop biomarkers based on PTMs. In addition, understanding and targeting the aberrant PTMs of various proteins provide viable avenues for addressing AD drug-discovery challenges. This review highlights numerous PTMs of proteins relevant to AD and provides an overview of their adverse effects on the protein structure, function and aggregation propensity that contribute to the disease pathology. A critical discussion offers suggestions of methods to develop PTM signatures and interfere with aberrant PTMs to develop viable diagnostic and therapeutic interventions in AD.