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3rd International Conference on Bioinformatics and Biomedical engineering, iCBBE 2009

作者： Zilu, Wang Xuehao, He Department of Polymer Science and Engineering School of Chemical Engineering and Technology Tianjin University 300072 Tianjin China

ISBN: (纸本)9781424429028

A coarse-grained (CG) model of Poly (N -isopropylacryl-amide) (PNIPAM, a kind of thermo-sensitive polymer with widely application) single chain at high temperature is developed from atomistic simulation using Iterative Boltzmann Inversion (IBI) method. The specified structural property of PNIPAM is well represented using this CG single chain model. But we find that this model cannot apply to lower temperature. We analyze the temperature effect on this CG model and some limitations of the IBI method. The results show the extensibility in wide temperature applicability of this model need to be improved. ©2009 IEEE.

关键词： Coarse-grained modeling

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Fabrication of a Novel Hybrid Scaffold for Tissue Engineered Heart Valve

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Journal of Huazhong University of science and Technology(Medical sciences) 2009年第5期29卷 599-603页

作者：洪昊董念国史嘉玮陈思郭超胡平齐宏旭 Department of Cardiovascular Surgery Union HospitalTongji Medical CollegeHuazhong University of Science and Technology Department of Chemical Engineering Institute of Polymer Science and TechnologyTsinghua University

The aim of this study was to fabricate biomatrix/polymer hybrid scaffolds using an electrospinning technique. Then tissue engineered heart valves were engineered by seeding mesenchymal stromal cells （MSCs） onto the scaffolds. The effects of the hybrid scaffolds on the proliferation of seed cells, formation of extracellular matrix and mechanical properties of tissue engineered heart valves were investigated. MSCs were obtained from rats. Porcine aortic heart valves were decellularized, coated with poly（3-hydroxybutyrate-co-4-hydroxybutyrate） using an electrospinning technique, and reseeded and cultured over a time period of 14 days. In control group, the decellularized valve scaffolds were reseeded and cultured over an equivalent time period. Specimens of each group were examined histologically （hematoxylin-eosin [HE] staining, immunohistostaining, and scanning electron microscopy）, biochemically （DNA and 4-hydroxyproline） and mechanically. The results showed that recellularization was comparable to the specimens of hybrid scaffolds and controls. The specimens of hybrid scaffolds and controls revealed comparable amounts of cell mass and 4-hydroxyproline （P〉0.05）. However, the specimens of hybrid scaffolds showed a significant increase in mechanical strength, compared to the controls （P〈0.05）. This study demonstrated the superiority of the hybrid scaffolds to increase the mechanical strength of tissue engineered heart valves. And compared to the decellularized valve scaffolds, the hybrid scaffolds showed similar effects on the proliferation of MSCs and formation of extracellular matrix. It was believed that the hybrid scaffolds could be used for the construction of tissue engineered heart valves.

关键词： tissue engineered heart valve hybrid scaffold electrospinning mesenchymal stem cells

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Characterization of polybenzoxazine and its electrochemical polymerization mechanism

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中国高等学校学术文摘·化学 2009年第4期4卷 390-395页

作者： Wei CHEN Jinbo HE Liang LI Department of Polymer Science and Engineering College of Chemistry and Chemical EngineeringNational Lab of Microstructure StudiesNanjing UniversityNanjing 210093China

Poly(3-(p-methyl)benzyl-3,4-dihydro-6-methyl-2H-1,3-benzoxazine) (poly(pCpT)), which was obtained from electrochemical polymerization in acetonitrile/alkali aqueous solution, was characterized by FT-IR, UV-Vis and 1H-NMR. The results indicate a ring-opening structure of the polymer. By using a rotating-ring disc electrode (RRDE), the electrochemical behaviors of polymerization were studied and the polymerization mechanism was proposed.

关键词： polybenzoxazine electropolymerization heat-resistance rotating-ring disc electrode electrochemi-cal behavior

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Tetragonally packed cylinder structure of comb-Coil block copolymer bearing heteroarm star architecture

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Macromolecules 2009年第6期42卷 2304-2308页

作者： Chiang, Wei-Shan Lin, Chia-Hung Yeh, Chao-Lin Nandan, Bhanu Hsu, Pei-Nan Lin, Chiu-Wei Chen, Hsin-Lung Chen, Wen-Chang Department of Chemical Engineering National Tsing Hua University Hsin-Chu 30013 Taiwan Department of Chemical Engineering National Taiwan University Taipei 10617 Taiwan Institute of Polymer Science and Engineering National Taiwan University Taipei 10617 Taiwan Leibniz Institute of Polymer Research Dresden Hohe Strasse 6 01069 Dresden Germany

The tetragonally packed cylinder structure was observed in the of comb-coil PS-P4VP(DBSA) block copolymer bearing heteroarm star architecture, where tetragonal lattice appeared at the intermediate binding fraction of DBSA on P4VP block. The heteroarm star PSn-P4VPn, with the average arm number n of both PS and P4VP blocks being 2.6, was prepared by a three three step sequential copolymerization, and the complexes of the copolymer with DBSA were prepared according to the procedure. The SAXS and TEM results have revealed that the heteroarm PS-P4VP(DBSA) comb-coil copolymer exhibits the same self-assembly behavior as its linear counterpart in terms of the effect of the overall binding fraction of comb block on the packing symmetry of the PS cylinders. The hexagonal packing became stable at the stoichiometric binding that resulted in the orthogonal orientation of the smaller scale lamellae with respect to the PS cylinder, demonstrating the self organization behavior in terms of packing symmetry.

关键词： Cylinders (shapes)

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Highly Selective Dopamine Sensor based on an Imprinted SAM/Mediator Gold Electrode

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Procedia Chemistry 2009年第1期1卷 285-288页

作者： Chen, P.Y. Nien, P.C. Ho, K.C. Department of Chemical Engineering National Taiwan University Taipei 10617 Taiwan Institute of Polymer Science and Engineering National Taiwan University Taipei 10617 Taiwan

A new concept of molecular imprinted polymer (MIP) electrode was proposed for amperometric detection of dopamine (DA). The MIP electrode was fabricated based on a screen-printed gold electrode. Thioglycolic acid (TGA) and allyl mercaptan (AM) were bounded on the gold electrode by covalent bonding to control the TGA density. The mediator, quercetin (Q), was also covalently bonded to the carboxyl group of TGA by using the carboxyl activation agent: 1-ethyl-3-(3-dimethylamino-propyl) carbodiimide (EDC). Molecularly imprinted poly(methyl methacrylate) (PMMA) was polymerized by UV curing. Different surface distribution densities of TGA were studied for realizing the recognition abilities of MIP electrodes. The TGA density was well controlled on the gold surface and the DA recognition ability was correlated to it. © 2009.

关键词： Thermogravimetric analysis Brain Curing Esters Fatty acids Fluorine containing polymers Gold Monolayers Phenols Plasma waves polymers Self assembly Sensors 1 ethyl 3 (3 dimethylamino propyl) carbodiimide Activation agent Amperometric detection Carboxyl groups Covalent bonding Covalently bonded Gold electrodes Gold surfaces Molecular imprinted polymers Molecularly imprinted Molecularly imprinted polymer New concept Recognition abilities Screen printed gold electrode Self assembly monolayers Surface distributions Thioglycolic acid UV curing

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STUDIES ON RELATION BETWEEN INTRINSIC VISCOSITY OF POLYELECTROLYTES IN SOLUTIONS USED FOR LAYER-BY-LAYER SELFASSEMBLY AND THEIR CORRESPONDING ADSORPTION AMOUNTS IN THE RESULTANT MULTILAYER MEMBRANES

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Chinese Journal of polymer science 2009年第3期27卷 297-306页

作者：钱锦文安全福 Phillip Choi Department of Polymer Science & Engineering Key Laboratory of Macromolecular Synthesis and Functionalization(Ministry of Education)Zhejiang University Department of Chemical and Materials Engineering University of AlbertaEdmontonAlbertaCanada T6G 2G6

The adsorption amount of poly(styrene sulfonate) and poly(dimethyldiallyl ammonium chloride) (PSS/PDDA) self-assembled multilayer membranes in designed dipping solvents were measured by UV-Vis-spectroscopy and quartz crystal microbalance (QCM). Intrinsic viscosities of PSS and PDDA in corresponding dipping solvents were determined by an Ubbelohde viscometer. It is found that the adsorption amount of PSS/PDDA self-assembled multilayer membranes built up in different dipping solutions, added salt concentration, pH of solution and solvent quality, respectively changed oppositely with the corresponding intrinsic viscosity of PSS and PDDA in dipping solvents. A negative relation between the adsorption amount and intrinsic viscosity was revealed, and explained in term of the concept of excluded volume of polymer molecule in dilute solutions.

关键词： Self-assembled multilayer membrane PSS/PDDA Polyelectrolyte solution Intrinsic viscosity

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Fabrication of a molecularly imprinted polymer sensor by self-assembling monolayer/mediator system

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Analytica Chimica Acta 2009年第1-2期643卷 38-44页

作者： Chen, Po-Yen Nien, Po-Chin Wu, Cheng-Tar Wu, Tsing-Hua Lin, Chii-Wann Ho, Kuo-Chuan Department of Chemical Engineering National Taiwan University Taipei 10617 Taiwan Institute of Biomedical Engineering National Taiwan University Taipei 10617 Taiwan Institute of Polymer Science and Engineering National Taiwan University Taipei 10617 Taiwan

Detection of dopamine (DA) by using a molecularly imprinted polymer (MIP) which fabricated by the self-assembling monolayer (SAM)/mediator system was studied. The SAM was made by attaching thioglycolic acid (TGA) on a gold electrode and quercetin (Q) was selected as an electron transfer mediator in this system. Methyl methacrylate (MMA) was polymerized by photopolymerization with the addition of dopamine to form a MIP electrode. The MIP and non-MIP (NMIP) modified electrodes were identified by FTIR and scanning electrochemical microscopy (SECM) approach curves. DA was detected by an amperometric method at a constant potential of 0.45 V and obtained a sensitivity of 0.445 mA cm-2 M-1. The imprinting efficiency approaches infinity due to a non-reactive surface of NMIP. In the interference test, ascorbic acid contributed less than 12% of current response in the coexistence solution with DA and the performance is highly related to the concentration of template added during the fabrication process. © 2009 Elsevier B.V. All rights reserved.

关键词： Ascorbic acid

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Phase behavior of colloidal superballs: Shape interpolation from spheres to cubes

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Physical Review E 2010年第6期81卷 061105-061105页

作者： Robert D. Batten Frank H. Stillinger Salvatore Torquato Department of Chemical Engineering Princeton University Princeton New Jersey 08544 USA Department of Chemistry Princeton University Princeton New Jersey 08544 USA Department of Physics Princeton University Princeton New Jersey 08544 USA Princeton Center for Theoretical Science Princeton University Princeton New Jersey 08544 USA Princeton Institute for the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA School of Natural Sciences Institute for Advanced Study Princeton New Jersey 08544 USA

The phase behavior of hard superballs is examined using molecular dynamics within a deformable periodic simulation box. A superball’s interior is defined by the inequality |x|2q+|y|2q+|z|2q≤1, which provides a versatile family of convex particles (q≥0.5) with cubelike and octahedronlike shapes as well as concave particles (q<0.5) with octahedronlike shapes. Here, we consider the convex case with a deformation parameter q between the sphere point (q=1) and the cube (q=∞). We find that the asphericity plays a significant role in the extent of cubatic ordering of both the liquid and crystal phases. Calculation of the first few virial coefficients shows that superballs that are visually similar to cubes can have low-density equations of state closer to spheres than to cubes. Dense liquids of superballs display cubatic orientational order that extends over several particle lengths only for large q. Along the ordered, high-density equation of state, superballs with 1

关键词： Spheres

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Synthesis of new indolocarbazole-acceptor alternating conjugated copolymers and their applications to thin film transistors and photovoltaic cells

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Macromolecules 2009年第6期42卷 1897-1905页

作者： Tsai, Jung-Hsun Chueh, Chu-Chen Lai, Mei-Hsiu Wang, Chih-Feng Chen, Wen-Chang Ko, Bao-Tsan Ting, Ching Department of Chemical Engineering National Taiwan University Taipei 106 Taiwan Institute of Polymer Science and Engineering National Taiwan University Taipei 106 Taiwan Materials and Chemical Laboratories Industrial Technology Research Institute Hsinchu 300 Taiwan

We report synthesis, properties, and optoelectronic device characteristics of six new indolocarbazole-acceptor conjugated copolymers prepared by Suzuki coupling reaction. Two different linkages of indolocarbazole (28IC and 39IC) and four acceptors of 2,3-didodecylthieno[3,4-b]pyrazine (TP12), 2,3-bis(4- (2-ethylhexyloxy) phenyl)thieno[3,4-b]pyrazine (TPO), 2,1,3-benzothiadiazole (BT), and 2,3-bis(4-(2-ethylhexy-loxy)phenyl)quinoxaline (QO) were used to explore the effects of acceptor structure, linkage, and side group on the electronic and optoelectronic properties. The optical band gap (eV) of the studied copolymers were in the following order: P28IC-TPO (1.58) -5 to 4 × 10-4 cm2/V · s and 40-46900, respectively. It basically depended on the degree of intramolecular charge transfer between indolocarbazole and acceptor as well as the HOMO level. The power conversion efficiency (PCE) of the indolocarbazole-acceptor polymer/PC61BM or PC71BM based photovoltaic cells were in the range 0.14-1.40% under the illumination of AM 1.5G (100 mW/cm2). P28IC-QO showed the best PCE among the studied copolymers because of its suitable HOMO/LUMO energy level, high molecular weight, good hole mobility, efficient PL quenching, and large Voc. © 2009 American chemical Society.

关键词： Hole mobility

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Organic Electronics: HighTgCyclic Olefin Copolymer Gate Dielectrics forN,N′‐Ditridecyl Perylene Diimide Based Field‐Effect Transistors: Improving Performance and Stability with Thermal Treatment (Adv. Funct. Mater. 16/2010)

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Advanced Functional Materials 2010年第16期20卷

作者： Jaeyoung Jang Sooji Nam Dae Sung Chung Se Hyun Kim Won Min Yun Chan Eon Park Department of Chemical Engineering POSTECH Polymer Research Institute Pohang University of Science and Technology Pohang 790–784 (Rep. Korea)

A novel application of ethylene‐norbornene cyclic olefin copolymers (COC) as gate dielectric layers in organic field‐effect transistors (OFETs) that require thermal annealing as a strategy for improving the OFET performance and stability is reported. The thermally‐treated N , N′ ‐ditridecyl perylene diimide (PTCDI‐C13)‐based n‐type FETs using a COC/SiO 2 gate dielectric show remarkably enhanced atmospheric performance and stability. The COC gate dielectric layer displays a hydrophobic surface (water contact angle = 95° ± 1°) and high thermal stability (glass transition temperature = 181 °C) without producing crosslinking. After thermal annealing, the crystallinity improves and the grain size of PTCDI‐C13 domains grown on the COC/SiO 2 gate dielectric increases significantly. The resulting n‐type FETs exhibit high atmospheric field‐effect mobilities, up to 0.90 cm 2 V −1 s −1 in the 20 V saturation regime and long‐term stability with respect to H 2 O/O 2 degradation, hysteresis, or sweep‐stress over 110 days. By integrating the n‐type FETs with p‐type pentacene‐based FETs in a single device, high performance organic complementary inverters that exhibit high gain (exceeding 45 in ambient air) are realized.

关键词： cyclic olefin copolymers air stability thermal annealing organic field‐effect transistors

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