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211.
Yuan‐Yuan Gao Yue Ma Ya‐Li Wang Yu‐Zhang Tong Ming‐Fang Yang Qing‐Lun Wang Li‐Cun Li Dai‐Zheng Liao 《无机化学与普通化学杂志》2013,639(6):1015-1020
Two heterospin complexes [Cu(NIT3Py)(cda)H2O] · H2O ( 1 ) and [Cu(NIT2Py)(cda)H2O] · H2O · CH3OH ( 2 ) with CuII ions and pyridyl‐substituted nitronyl nitroxide radicals (NITxPy = 2‐(x′‐pyridyl)‐4,4,5,5‐tetramethyl‐imidazoline‐1‐oxyl‐3‐oxide, x = 3, 2; H2cda = 4‐hydroxy‐pyridine‐2,6‐dicarboxylic acid) were synthesized and characterized structurally and magnetically. The single crystal structures show that the two complexes are both two‐spin complexes, in which the different radicals make the two complexes have different hydrogen bonding interactions to form 2D and 1D supramolecular network for complexes 1 and 2 , respectively. The magnetic measurements indicate that complexes 1 and 2 both exhibit antiferromagnetic interactions between CuII and radicals. 相似文献
212.
Xin Feng Kelin Xia Zhan Chen Yiying Tong Guo‐Wei Wei 《Journal of computational chemistry》2013,34(24):2100-2120
Geometric modeling of biomolecules plays an essential role in the conceptualization of biolmolecular structure, function, dynamics, and transport. Qualitatively, geometric modeling offers a basis for molecular visualization, which is crucial for the understanding of molecular structure and interactions. Quantitatively, geometric modeling bridges the gap between molecular information, such as that from X‐ray, NMR, and cryo‐electron microscopy, and theoretical/mathematical models, such as molecular dynamics, the Poisson–Boltzmann equation, and the Nernst–Planck equation. In this work, we present a family of variational multiscale geometric models for macromolecular systems. Our models are able to combine multiresolution geometric modeling with multiscale electrostatic modeling in a unified variational framework. We discuss a suite of techniques for molecular surface generation, molecular surface meshing, molecular volumetric meshing, and the estimation of Hadwiger's functionals. Emphasis is given to the multiresolution representations of biomolecules and the associated multiscale electrostatic analyses as well as multiresolution curvature characterizations. The resulting fine resolution representations of a biomolecular system enable the detailed analysis of solvent–solute interaction, and ion channel dynamics, whereas our coarse resolution representations highlight the compatibility of protein‐ligand bindings and possibility of protein–protein interactions. © 2013 Wiley Periodicals, Inc. 相似文献
213.
Shengwen Zou Quanxing Gao Zhen Tong 《Journal of Dispersion Science and Technology》2013,34(2):173-181
A series of W/O/W or O/W/O emulsion stabilized solely by two different types of solid nanoparticles were prepared by a two-step method. We explored the option of particular emulsifiers for the multiple Pickering emulsions, and a variety of nanoparticles (silica, iron oxide, and clay) only differing in their wettability was used. The primary W/O emulsion was obtained by the hydrophobic nanoparticles, and then the hydrophilic nanoparticles were used as emulsifier in the secondary emulsification to prepare the W/O/W emulsion. In a similar way, the primary O/W emulsion of the O/W/O emulsion was stabilized by the hydrophilic nanoparticles, while the secondary emulsification to prepare the O/W/O emulsion was effected with the hydrophobic nanoparticles. The resultant multiple Pickering emulsion was stable to coalescence for more than 3 months, except the W/O/W emulsions of which the secondary emulsion stabilized by clay nanoparticles became a simple O/W emulsion in a day after preparation. Moreover, the temperature and pH sensitive poly(N-isopropylacrylamide-co-methacrylic acid) (P(NIPAm-co-MAA)) microgels were introduced as an emulsifier for the secondary emulsification to obtain the stimulus-responsive multiple W/O/W emulsion. Such microgel-stabilized multiple emulsions could realize the efficient controlled release of water-soluble dye, Rhodamine B (RB) on demand in a multiple-emulsion delivery system. 相似文献
214.
以麦秆和稻壳生物质为研究对象,在不同的热解温度、热解速率以及蒸汽活化温度条件下制备了生物质焦,采用比表面积与孔隙度分析仪测定生物质焦的比表面积和孔隙结构参数。利用固定床吸附装置,研究了热解温度、热解速率、活化温度和模拟烟气中SO2和NO浓度等因素对生物质焦吸附SO2和NO性能的影响。结果表明,蒸汽活化可以显著提高生物质焦的BET比表面积、D-R比表面积、D-R微孔容积和总孔容,降低其平均孔径,并显著增加蒸汽活化生物质焦对SO2与NO吸附的起始穿透时间和吸附量。快速热解下制得的蒸汽活化焦对SO2和NO的吸附效果优于慢速热解,热解温度为873 K的蒸汽活化焦的吸附性能明显好于热解温度为673与1 073 K的蒸汽活化焦。在973~1 173 K下,随着蒸汽活化温度的提高,蒸汽活化生物质焦对SO2和NO的吸附量呈现先上升后下降的趋势。随着模拟烟气中SO2与NO浓度的降低,蒸汽活化生物质焦对SO2与NO吸附的起始穿透时间延长,但相应的SO2和NO吸附量下降。在873 K、快速热解和1 073 K条件下制得的蒸汽活化麦秆焦对SO2和NO吸附量最大,其值分别为109.02和21.77 mg/g。 相似文献
215.
In this paper, a new D-A copolymer, PFDBCPDT, which consists of benzo-2,1,3-thiadiazole as acceptor units and cyclopentadithiophene and fluorene as donor units, was synthesized. The thermal, electrochemical, photophysical and photovoltaic properties of PFDBCPDT were studied. PFDBCPDT showed a low optical band gap of 1.84 eV, and relatively low HOMO level of ?5.69 eV. The best device performance was obtained by PFDBCPDT/PC61BM (1:3) with 0.5 vol% DIO. The device exhibited a power conversion efficiency of 3.06%, with a relatively high open circuit voltage of 0.87 eV. 相似文献
216.
Li Zhang Li Tong Zhang Jing He Zhi Jun Lin Yan Jiang Li Fu Chen 《Journal of Sol-Gel Science and Technology》2013,68(1):150-154
Aluminum nitride (AlN) fibers were prepared from alumina gel fibers and by heat-treatment in ammonia. The influence of silica on the formation of AlN was investigated. It was shown that phase transformation of alumina (γ-Al2O3 to α-Al2O3) and nitridation reaction took place above 1,100 °C for pure alumina fiber. The addition of a small amount of silica (3 wt%) suppressed the formation of α-Al2O3 and preserved the highly reactive metastable alumina, and nitridation rate was enhanced. Fine grain (~20 nm) AlN fibers were obtained for pyrolysis at 1,150–1,250 °C for 3 h in ammonia, and AlN was identified as the sole crystalline phase. 相似文献
217.
Yuangang Liu Yuesheng Tong Shibin Wang Qiongjia Deng Aizheng Chen 《Journal of Sol-Gel Science and Technology》2013,67(1):66-76
Different divalent metal ions (Ba2+, Sr2+, Ca2+, Zn2+) were selected as crosslinkers. The mechanical properties, cytocompatibility, histocompatibility, cell proliferation and long-term cultivation were investigated. The resulting microcapsules had good sphericity, smooth surface and particle size distribution of 300–400 μm. Sr2+ microcapsules exhibited a better mechanical strength. The molecular weights cut-off of all membranes were between 24 and 67 kDa. All microcapsules had no cytotoxicity. After intraperitoneal transplantation, the recovered microcapsules still maintained good mechanical strength and morphology with no fibrosis or macrophage aggregation phenomena. The microencapsulated PC12 cells showed no significant variation after recultivation following microcapsule breaking. The cell activity sequence of different microcapsules after 72 h was as follows: bare control cell >Sr2+ > Ca2+ > Ba2+ > Zn2+. After 9 weeks’ in vitro culture, the cell survival rate was higher than 80 %. This paper will be of scientific interests for the basic research and clinical application of alginate/chitosan microcapsules embedded with drugs or cells. 相似文献
218.
Preparation and characterization of ZrCO/C composite aerogels 总被引:1,自引:0,他引:1
Li Ye Wenfeng Qiu Hao Li Aijun Zhao Tao Cai Tong Zhao 《Journal of Sol-Gel Science and Technology》2013,65(2):150-159
Zr-containing organic aerogels were synthesized by ligand substitution reaction of polyzirconoxone and 2, 4-dihydroxybenzoic acid, followed by polymerization with formaldehyde, and then supercritical drying using CO2. After carbonization and carbothermal reduction under an argon atmosphere, ZrCO/C composite aerogels with controllable zirconium content (47.8–78.6 wt%) were obtained. The carbothermal reduction was substantially completed at 1,500 °C, and the obtained ZrCO/C composite aerogels exhibit low oxygen contents (9.4–6.7 wt%) and high surface areas (589–147 m2/g). Pore morphologies of the ZrCO/C composite aerogels were investigated in detail by nitrogen sorption measurements, scanning electron microscopy and its associated energy-dispersive X-ray microanalysis measurements. The results show that the aerogels are composed of carbon framework and Zr-conglomerations, and the surface area of aerogel is severely affected by its zirconium content. The presence of reductive ZrC crystals can greatly enhance the oxidation resistance ability of amorphous carbon framework and prevent collapse. 相似文献
219.
Gadolinium(III)‐Hydroxy Ladders Trapped in Succinate Frameworks with Optimized Magnetocaloric Effect
Yan‐Cong Chen Fu‐Sheng Guo Prof. Dr. Yan‐Zhen Zheng Jun‐Liang Liu Ji‐Dong Leng Róbert Tarasenko Prof. Dr. Martin Orendáč Dr. Jan Prokleška Prof. Dr. Vladimír Sechovský Prof. Dr. Ming‐Liang Tong 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(40):13504-13510
Two kinds of inorganic gadolinium(III)‐hydroxy “ladders”, [2×n] and [3×n], were successfully trapped in succinate (suc) coordination polymers, [Gd2(OH)2(suc)2(H2O)]n ? 2n H2O ( 1 ) and [Gd6(OH)8(suc)5(H2O)2]n ? 4n H2O ( 2 ), respectively. Such coordination polymers could be regarded as alternating inorganic–organic hybrid materials with relatively high density. Magnetic and heat capacity studies reveal a large cryogenic magnetocaloric effect (MCE) in both compounds, namely (ΔH=70 kG) 42.8 J kg?1 K?1 for complex 1 and 48.0 J kg?1 K?1 for complex 2 . The effect of the high density is evident, which gives very large volumetric MCEs up to 120 and 144 mJ cm?3 K?1 for complexes 1 and 2 , respectively. 相似文献
220.
Dr. Zhao‐Yang Fei Bo Sun Liang Zhao Prof. Wei‐Jie Ji Prof. Chak‐Tong Au 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(20):6480-6487
Gold nanoparticles (3–4 nm) were deposited on Mn3O4 nanocrystallites with three distinct morphologies (cubic, hexagonal, and octahedral). The resulting structures were characterized, and their activities for benzene combustion were evaluated. The dominant exposed facets for the three kinds of Mn3O4 polyhedrons show the activity order: (103)≈(200)>(101). A similar activity order was derived for the interfaces between the Au and the Mn3O4 facet: Au/(200)≈Au/(103)>Au/(101). The metal–support interactions between the Au nanoclusters and specific facets of the Mn3O4 polyhedrons lead to a unique interfacial synergism in which the electronic modification of the Au nanoparticles and the morphology of the Mn3O4 substrate have a joint effect that is responsible for a significant enhancement in the catalytic activity of the Au/Mn3O4 system. 相似文献