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41.
A Tale of Copper Coordination Frameworks: Controlled Single‐Crystal‐to‐Single‐Crystal Transformations and Their Catalytic CH Bond Activation Properties 下载免费PDF全文
Yifa Chen Prof. Xiao Feng Prof. Xianqiang Huang Zhengguo Lin Xiaokun Pei Siqing Li Jikun Li Shan Wang Rui Li Prof. Bo Wang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(40):13894-13899
Metal–organic frameworks (MOFs), as a class of microporous materials with well‐defined channels and rich functionalities, hold great promise for various applications. Yet the formation and crystallization processes of various MOFs with distinct topology, connectivity, and properties remain largely unclear, and the control of such processes is rather challenging. Starting from a 0D Cu coordination polyhedron, MOP‐1, we successfully unfolded it to give a new 1D‐MOF by a single‐crystal‐to‐single‐crystal (SCSC) transformation process at room temperature as confirmed by SXRD. We also monitored the continuous transformation states by FTIR and PXRD. Cu MOFs with 2D and 3D networks were also obtained from this 1D‐MOF by SCSC transformations. Furthermore, Cu MOFs with 0D, 1D, and 3D networks, MOP‐1, 1D‐MOF, and HKUST‐1, show unique performances in the kinetics of the C?H bond catalytic oxidation reaction. 相似文献
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《高分子学报》2015,(1)
报道了一种将短切碳纤维(CF)自发焊接成三维网络结构的新方法.研究发现,尼龙6(PA6)与CF具有较强的相互作用,SEM照片及储能模量高温平台表明,添加少量PA6能够在PS基体中形成耐高温的CFPA6自焊接骨架结构,PA6用量越多,高温储能模量越高,自焊接骨架结构强度越大.研究证明,这种自焊接骨架结构能够大幅度提高PS/CF复合体系的热变形温度,碳纤维具有优异的导电导热性能,碳纤维骨架结构能够降低导电临界浓度,增强面内导热系数.进一步分析表明,PA6在碳纤维表面定向聚集是一个动力学过程,CF-PA6自焊接骨架强度与PA6黏附率NPA6呈线性关系;扩大PA6与PS的黏度差,延长热压时间均有利于提高NPA6,进而大幅提高网络结构强度. 相似文献
44.
Simultaneous Titration of Ternary Mixtures of Pb(II), Cd(II) and Cu(II) with Potentiometric Electronic Tongue Detection 下载免费PDF全文
An automatic titration method is reported to resolve ternary mixtures of transition metals (Pb2+, Cd2+ and Cu2+) employing electronic tongue detection and a reduced number of pre‐defined additions of EDTA titrant. Sensors used were PVC membrane selective electrodes with generic response to heavy‐metals, plus an artificial neural network response model. Detection limits obtained were ca. 1 mg L?1 for the three target ions and reproducibilities 3.0 % for Pb2+, 4.1 % for Cd2+ and 5.2 % for Cu2+. The system was applied to contaminated soil samples and high accuracy was obtained for the determination of Pb2+. In the determination Cd2+ and Cu2+, sample matrix showed a significant effect. 相似文献
45.
Development of models for prediction of the antioxidant activity of derivatives of natural compounds
Antioxidants are important for maintaining the appropriate balance between oxidizing and reducing species in the body and thus preventing oxidative stress. Many natural compounds are being screened for their possible antioxidant activity. It was found that a mushroom pigment Norbadione A, which is a pulvinic acid derivative, shows an antioxidant activity; the same was found for other pulvinic acid derivatives and structurally related coumarines. Based on the results of in vitro studies performed on these compounds as a part of this study quantitative structure–activity relationship (QSAR) predictive models were constructed using multiple linear regression, counter-propagation artificial neural networks and support vector regression (SVR). The models have been developed in accordance with current QSAR guidelines, including the assessment of the models applicability domains. A new approach for the graphical evaluation of the applicability domain for SVR models is suggested. The developed models show sufficient predictive abilities for the screening of virtual libraries for new potential antioxidants. 相似文献
46.
Two of the most challenging problems that scientists and researchers face when they want to experiment with new cutting‐edge algorithms are the time‐consuming for encoding and the difficulties for linking them with other technologies and devices. In that sense, this article introduces the artificial organic networks toolkit for LabVIEW? (AON‐TL) from the implementation point of view. The toolkit is based on the framework provided by the artificial organic networks technique, giving it the potential to add new algorithms in the future based on this technique. Moreover, the toolkit inherits both the rapid prototyping and the easy‐to‐use characteristics of the LabVIEW? software (e.g., graphical programming, transparent usage of other softwares and devices, built‐in programming event‐driven for user interfaces), to make it simple for the end‐user. In fact, the article describes the global architecture of the toolkit, with particular emphasis in the software implementation of the so‐called artificial hydrocarbon networks algorithm. Lastly, the article includes two case studies for engineering purposes (i.e., sensor characterization) and chemistry applications (i.e., blood–brain barrier partitioning data model) to show the usage of the toolkit and the potential scalability of the artificial organic networks technique. © 2015 Wiley Periodicals, Inc. 相似文献
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Jos J. Campos‐Gaxiola Susana P. Arredondo Rea Ramn Corral Higuera Herbert Hpfl Adriana Cruz Enríquez 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(1):48-52
Two organic–inorganic hybrid compounds have been prepared by the combination of the 4‐[(E)‐2‐(pyridin‐1‐ium‐2‐yl)ethenyl]pyridinium cation with perhalometallate anions to give 4‐[(E)‐2‐(pyridin‐1‐ium‐2‐yl)ethenyl]pyridinium tetrachloridocobaltate(II), (C12H12N2)[CoCl4], (I), and 4‐[(E)‐2‐(pyridin‐1‐ium‐2‐yl)ethenyl]pyridinium tetrachloridozincate(II), (C12H12N2)[ZnCl4], (II). The compounds have been structurally characterized by single‐crystal X‐ray diffraction analysis, showing the formation of a three‐dimensional network through X—H...ClnM− (X = C, N+; n = 1, 2; M = CoII, ZnII) hydrogen‐bonding interactions and π–π stacking interactions. The title compounds were also characterized by FT–IR spectroscopy and thermogravimetric analysis (TGA). 相似文献
49.
Qiang Li 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(1):65-68
The title compound, (C20H20P)[Cd(C2N3)3], consists of ethyltriphenylphosphonium (EtPh3P+) cations filling voids in a three‐dimensional anionic cadmium dicyanamide network. In the structure, each CdII atom is connected to six neighbouring CdII atoms through six separate dicyanamide ligands, forming cube‐shaped cages. The three‐dimensional anionic network encloses a solvent‐accessible void space of 1851 Å3, amounting to 69.3% of the unit‐cell volume. Each cage accommodates only one EtPh3P+ cation. 相似文献
50.
Topological indices are numerical parameters of a molecular graph, which characterize its topology and are usually graph invariant. In quantitative structure–activity relationship/quantitative structure–property relationship study, physico‐chemical properties and topological indices such as Randić, atom–bond connectivity (ABC), and geometric–arithmetic (GA) index are used to predict the bioactivity of chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study hex‐derived networks HDN1(n) and HDN2(n), which are generated by hexagonal network of dimension n and derive analytical closed results of general Randić index Rα(G) for different values of α, for these networks of dimension n. We also compute the general first Zagreb, ABC, GA, ABC4, and GA5 indices for these hex‐derived networks for the first time and give closed formulae of these degree‐based indices for hex‐derived networks. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献