Resolvin D3 and Aspirin-Triggered Resolvin D3 Are Potent Immunoresolvents

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Highlights? RvD3 accumulates in late inflammation resolution ? Aspirin triggers biosynthesis of RvD3 17R-epimer (AT-RvD3) that is proresolving ? Complete stereochemistry of RvD3 and AT-RvD3 are established ? RvD3 and AT-RvD3 govern leukocyte functions and local inflammatory responses     

Photosensitization of trans-Vitamin D3 to cis-Vitamin D3 in Heterogeneous System

Two modes of heterogeneous photoisomerization of trans-vitamin D3 to cis-vitamin D3 are described. The occurrence of isomerization on the substrate bounded to the polymeric support gives us the possibility in succession synthesis of 1α-hydroxyvitamin D3. The polymer-bound anthracene can sensitize isomerization of trans-vitamin D3 to cis-vitamin D3 efficiently and ease the separation process.     

Rigid optically-active D2 and D3 macrocycles

The synthesis and characterization of novel optically-active macrocycles, obtained by esterification reaction from a binaphthyl-containing diol and phthalic or terephthalic acids, and possessing overall D2 or D3 symmetry, is described.     

磺酰脲类除草剂的三维药效团模型

磺酰脲类除草剂是七十年代末期[1，2]开发的一类超高效除草剂，杀草谱广，用量极低．它通过抑制植物体内乙酰乳酸合成酶（ALS，acetolactatesynthase）的活性[3]，破坏支链氨基酸缬氨酸、亮氨酸和异亮氨酸的合成，造成杂草的死亡．本文从三维角度出发，利用先进的三维分子设计软件APEX（ActivityPredictionExpertSystem）－3D[4]，建立破酸豚类除草剂药效团模型（biophoremodel），辅助设计、筛选活性化合物；再由药效团构造出模拟ALS酶活性位点（activesites）的空间结构，以该模拟结构为基点，以期设计出全新结构的ALS酶抑制剂的…     

Two luminescent enantiomorphic 3D metal-organic frameworks with 3D homochiral double helices

Two enantiomorphic Cd(II) coordination polymers with three-dimensional homochiral double helices have been assembled respectively from two tripodal enantiopure amino acid derivatives, which exhibit (3,4)-connected (6(3))(6(3).10(3)) topology and strong purple fluorescence.     

Biofunctional rapid prototyping for tissue-engineering applications: 3D bioplotting versus 3D printing

Two important rapid-prototyping technologies (3D Printing and 3D Bioplotting) were compared with respect to the computer-aided design and free-form fabrication of biodegradable polyurethane scaffolds meeting the demands of tissue-engineering applications. Aliphatic polyurethanes were based on lysine ethyl ester diisocyanate and isophorone diisocyanate. Layer-by-layer construction of the scaffolds was performed by 3D Printing, that is, bonding together starch particles followed by infiltration and partial crosslinking of starch with lysine ethyl ester diisocyanate. Alternatively, the 3D Bioplotting process permitted three-dimensional dispensing and reactive processing of oligoetherurethanes derived from isophorone diisocyanate, oligoethylene oxide, and glycerol. The scaffolds were characterized with X-ray microtomography, scanning electron microscopy, and mechanical testing. Osteoblast-like cells were seeded on such scaffolds to demonstrate their potential in tissue engineering. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 624–638, 2004     

从纳米晶到三维超晶格结构

纳米晶的有序组装对未来纳米材料的应用拓展具有重要意义. 本综述介绍了纳米晶三维超晶格的研究价值以及制备方法,着重对“胶体溶液蒸发”、“不良溶剂扩散”、“胶束引导集聚”、“氢键连接”、“静电聚集”、“DNA导向”、“外场辅助”和“水－油界面辅助”的组装机制进行了总结与评述,同时也探讨了这一新兴领域中仍然存在的挑战.     

基于药效团的三维数据库搜索

用表皮生长因子受体酪氨酸激酶抑制剂的药效团作为提问结构在三维数据库中进行了搜索.从得到的命中结构中挑选了12个化合物用柔性受体模型方法对其活性进行了预测, 发现有2个化合物具有一定的预测活性.这2个化合物可能具有酪氨酸激酶抑制剂的活性, 可能作为先导化合物进行结构优化.     

Flow-injection analysis of vitamin D3 and 25-hydroxy-vitamin D3 by amperometric detection

A simple, rapid and sensitive flow-injection method with amperometric detection for the determination of vitamin D₃ and 25-hydroxy-vitamin D₃ (25-OH-D₃) in pharmaceutical preparation is described. The method is based on the anodic electrochemical behaviour of these substances in methanol-water using a glassy carbon electrode. The optimum working potential was + 1.050 V (vs. Ag/AgCl). The influence of flow-rate, coil length and injection volume on sensitivity was established. Calibration graphs for both vitamin D₃ and 25-OH-D₃ show good linearity in the range 1.8×10^?7?1.0×10^?5 M. Detection limits of 7 ng (vitamin D₃) and 11 ng (25-OH-D₃) and relative standard deviations of 1.5% were obtained.     

Agilent三维毛细管电泳系统

毛细管电泳 (ＣＥ)是近 2 0年来迅速发展起来的一种现代分离分析技术 ,因为其具有分离度高、分析速度快、最小检测量低、样品和溶剂消耗量少、分析成本低等优点 ,在生物化学、药物开发、临床诊断、天然产物、法庭科学和环境分析等领域得到了广泛的应用。目前 ,已有多家分析仪器制造商提供毛细管电泳仪 ,国外的如安捷伦科技 (原惠普公司的一部分 )、贝克曼、伯乐、刘梅克斯、光谱物理和沃特斯等 ;国内的有北京新技术应用研究所、上海第三分析仪器厂、北京大学化学院、河北大学等。本文主要介绍安捷伦科技公司的三维毛细管电泳 (Ａｇｉｌｅｎ…     

Exploring Group 14 Structures: 1D to 2D to 3D

Various one‐, two‐ and three‐dimensional Group 14 (C, Si, Ge, Sn, and Pb) element structures at P=1 atm are studied in this work. As expected, coordination number (CN)—not an unambiguous concept for extended structures—plays an important part in the stability of structures. Carbon not only favors four‐coordination, but also is quite happy with π‐bonding, allowing three‐ and even two‐coordination to compete. Highly coordinated (CN>4) discrete carbon molecules are rare; that “saturation of valence” is reflected in the instability of C extended structures with CN>4. Si and Ge are quite similar to each other in their preferences. They are less biased in their coordination than C, allowing (as their molecular structures do) CN=5 and 6, but tending towards four‐coordination. Sn and Pb 3D structures are very flexible in their bonding, so that in these elements four‐ to twelve‐coordinate structures are close in energy. This lack of discrimination among ordered structures also points to an approach to the liquid state, consistent with the low melting point of Sn and Pb. The Group 14 liquid structures we simulate in molecular dynamics calculations show the expected, effective, first coordination number increase from 5.1 for Si to 10.4 for Pb. A special point of interest emerging from our study is the instability of potential multilayer graphene structures down Group 14. Only for C will these be stable; for all the other Group 14 elements pristine, unprotected, bi‐ and multilayer graphenes should collapse, forming “vertical” bonds as short as the in‐plane ones.     

Solvent-controlled structural variation from 1D+2D→3D network with coexistence of polycatenation and polythreading to the 2D→3D polythreaded array

This article represents two types of entanglements, [Co₂(bibp)(BTB)₂][Co(bibp)₂(H₂O)₂] (1) and [Co₃(bibp)₂(H₂O)₂(BTB)₂]·2H₂O·2DMF (2) (bibp = 4,4′-bis(1-imidazolyl)biphenyl and H₃BTB = 1,3,5-tris(4-carboxyphenyl)benzene), which are 2-D→3-D polycatenated frameworks formed by parallel catenation of 1-D+2-D→2-D polythreaded motifs based on the double-layered sheet penetrated by ribbons of rings (1) and a 2-D→3-D mutual polythreading of three double-layered sheets with dangling arms (2), which is assembled by the same initial materials by simply changing the volume ratio of water/DMF medium.     

Long-Term Stability Analysis of 3D and 2D/3D Hybrid Perovskite Solar Cells Using Electrochemical Impedance Spectroscopy

Despite the remarkable progress in perovskite solar cells (PSCs), their instability and rapid degradation over time still restrict their commercialization. A 2D capping layer has been proved to overcome the stability issues; however, an in-depth understanding of the complex degradation processes over a prolonged time at PSC interfaces is crucial for improving their stability. In the current work, we investigated the stability of a triple cation 3D ([(FA_0.83MA_0.17)Cs_0.05]Pb(I_0.83Br_0.17)₃) and 2D/3D PSC fabricated by a layer-by-layer deposition technique (PEAI-based 2D layer over triple cation 3D perovskite) using a state-of-art characterization technique: electrochemical impedance spectroscopy (EIS). A long-term stability test over 24 months was performed on the 3D and 2D/3D PSCs with an initial PCE of 18.87% and 20.21%, respectively, to suggest a more practical scenario. The current-voltage (J-V) and EIS results showed degradation in both the solar cell types; however, a slower degradation rate was observed in 2D/3D PSCs. Finally, the quantitative analysis of the key EIS parameters affected by the degradation in 3D and 2D/3D PSCs were discussed.     

Starting point to molecular design: efficient automated 3D model builder Key3D

Obtaining three-dimensional (3D) structures from structural formulae is a crucial process in molecular design. We have developed a new 3D model builder, Key3D, in which the simplified distance geometry technique and structure optimization based on the MMFF force field are combined. In an evaluation study using 598 crystal structures, the high performance and accuracy of Key3D were demonstrated. In the "flexible-fitting" test, which is focused on practical usefulness in the molecular design process, 88% of the Key3D structures acceptably reproduced the reference crystal structures (root-mean-square deviation <0.6 A) upon rotation of acyclic bonds. These results indicate that Key3D will be very effective in providing starting points for practical molecular design.     

Ensuring homology between 2D and 3D molecular crystals

Integrated studies using scanning tunneling microscopy and X-ray crystallography have established that 4,5,9,10-tetrahydropyrene-2,7-dicarboxylic acid and pyrene-2,7-dicarboxylic acid crystallize in 2D and 3D with striking homology. Different behavior is shown by related biphenyls that lack the planarizing conformational constraints of the pyrenyl core and the directing effects of intermolecular hydrogen bonding. The results of these studies show that molecules specifically designed to engage in multiple strong directional interadsorbate interactions are promising tools for imposing particular nanopatterns on surfaces and for revealing subtle aspects of crystallization.