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Mg2+/Ca2+ binding to DNA bases: a quantum chemical method and ABEEMrp/MM fluctuating charge model study
关键字：DNA base,Metal cation,Quantum chemical method,ABEEMrp/MM,Polarizable force field
The interactions of Mg2+ and Ca2+ binding to adenine, cytosine, guanine, and thymine at various binding sites were studied by a high-level quantum chemical method and ABEEMrp/MM fluctuating charge model. The geometries and binding energies of M2+-bases complexes were determined at CCSD(T)/6-311++G(2d,2p)//MP2/6-311++G(2d,2p) level of theory, with the basis set&nb...
http://www.polymer.cn/research/sy_info17684 |
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Efficient Metal-Free Organic Sensitizers Containing TetraphenylethyleneMoieties in the Donor Part for Dye-Sensitized Solar Cells
关键字：Donor–acceptor systems, Dyes/pigments, Sensitizers, Solar cells, Energy conversion
Two new propeller-shaped D-π-A organic sensitizers that contain two tetraphenylethylene (TPE) moieties in the donor part of the triphenylamine group have been designed and
characterized. These dyes are composed of the same donor and acceptor units with different aromatic units introduced through linkers between the donor and acceptor units. The dye-sensitized solar cells (DSCs) based on LI-31 wit...
http://www.polymer.cn/research/sy_info17360 |
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Creating Filler/Matrix Interfacial Bonding by Metal Ion Coordination : Graphene Oxide/Polymer Nanocomposites with Significantly Enhanced Mechanical Properties
关键字：Graphene oxide, Polymers, Nanocomposites, Coordination, Mechanical properties
Graphene, the most recently found allotrope of the carbon family, has provoked research interest worldwide due to its outstanding electronic, mechanical and thermal propertiescl].Nowadays, a functionalized graphene derivative, graphene o...
http://www.polymer.cn/research/sy_info15175 |
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Creating Filler/Matrix Interfacial Bonding by Metal Ion Coordination : Graphene Oxide/Polymer Nanocomposites with Significantly Enhanced Mechanical Properties
关键字：graphene oxide, polymers, nanocomposites, coordination, mechanical properties
Graphene, the most recently found allotrope of the carbon family, has provoked research interest worldwide due to its outstanding electronic, mechanical and thermal propertiescl].Nowadays, a functionalized graphene derivative, graphene o...
http://www.polymer.cn/research/dis_info17240 |
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Investigation on ionic polymer actuators based on irradiation-crosslinked sulfonated poly(styrene-ran-ethylene)
关键字：ionomer, poly (styrene-ran-ethylene), ionic polymer metal composites
The ion-exchange membrane, Nafion, remains as the benchmark for a majority of research and development in IPMC technology. In this research, we employed a novel ionomer named by sulfonated poly(styrene-ran-ethylene) (SPSE) that is cros...
http://www.polymer.cn/research/dis_info13957 |
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A Discussion on Effect of Thermal Conductivity of Flame Retardant Composites and Expecting to be A New Synergistic Agent as Conductor Metal
关键字：flame retardant; metal; time to ignition; heat release rate; thermal conductivity
The fire behavior of polymer composite materials has been a major concern for over forty years, and much effort has been devoted to assessing and reducing their fire hazard. The fire hazard of polymer composites is often...
http://www.polymer.cn/research/dis_info12434 |
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离子选择性的多彩热敏型聚合物微凝胶
关键字： Multicolor, Thermo-Responsive, Polymer Microgels, Metal Cationic-Selective
A novel trinary copolymer, poly(N-isopropylacrylamide)-co-poly(2-hydroxyethyl methacrylate)-co-poly(methacrylic acid) (PNIPAM-co-PHEMA-co-PMAA) with phorphyrin side groups, was synthesized by reversible addition-fragmentation chain transfer polymerization (RAFT) process and dehy...
http://www.polymer.cn/research/dis_info8069 |
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Synthesis of Self-Assembled Block Copolymers and Their Metal Composites
关键字：Self assembly, non-linear optics, nanoelectronics, Functional organic materials, composite, liquid crystalline property, quantum dot, AFM, TEM.
The self assembly of organic synthetic block copolymers have been extensively investigated in recent years. The ability to control the block composition and copolymer architecture of these wholly synthetic materials allows for tuning t...
http://www.polymer.cn/research/dis_info2537 |
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Construction of Response Patterns for Metal Cations by Using a Fluorescent Conjugated Polymer Sensor Array from Parallel Combinatorial Synthesis
关键字：fluorescence, conjugated polymer, response pattern, sensor array, combinatorial synthesis
Pattern-based strategy is an emerging field of interest for effective sensing applications. Seven different conjugated polymers from combinatorial synthesis were combined into a sensor array, and seven metal cations were selected as representative analytes. The response patterns for each cation were constructed by collecting the individual fluorescence responses from seven...
http://www.polymer.cn/research/sy_info18198 |
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Mg2+/Ca2+ binding to DNA bases: a quantum chemical method and ABEEMrp/MM fluctuating charge model study
关键字：DNA base,Metal cation,Quantum chemical method,ABEEMrp/MM,Polarizable force field
The interactions of Mg2+ and Ca2+ binding to adenine, cytosine, guanine, and thymine at various binding sites were studied by a high-level quantum chemical method and ABEEMrp/MM fluctuating charge model. The geometries and binding energies of M2+-bases complexes were determined at CCSD(T)/6-311++G(2d,2p)//MP2/6-311++G(2d,2p) level of theory, with the basis set&nb...
http://www.polymer.cn/research/sy_info17684 |
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