RAFT‐mediated batch emulsion polymerization of styrene using poly[N‐(4‐vinylbenzyl)‐N,N‐dibutylamine hydrochloride] trithiocarbonate as both surfactant and macro‐RAFT agent

Poly[N‐(4‐vinylbenzyl)‐N,N‐dibutylamine hydrochloride] trithiocarbonate, which contains the reactive trithiocarbonate group and the appending surface‐active groups, is used as both surfactant and macromolecular reversible addition‐fragmentation chain transfer (macro‐RAFT) agent in batch emulsion polymerization of styrene. Under the conditions at high monomer content of ～20 wt % and with the molecular weight of the macro‐RAFT agent ranging from 4.0 to 15.0 kg/mol, well‐controlled batch emulsion RAFT polymerization initiated by the hydrophilic 2‐2′‐azobis(2‐methylpropionamidine) dihydrochloride is achieved. The polymerization leads to formation of nano‐sized colloids of the poly[N‐(4‐vinylbenzyl)‐N,N‐dibutylamine hydrochloride]‐b‐ polystyrene‐b‐poly[N‐(4‐vinylbenzyl)‐N,N‐dibutylamine hydrochloride] triblock copolymer. The colloids generally have core‐shell structure, in which the hydrophilic block forms the shell and the hydrophobic block forms the core. The molecular weight of the triblock copolymer linearly increases with increase in the monomer conversion, and the values are well‐consistent with the theoretical ones. The molecular weight polydispersity index of the triblock copolymer is below 1.2 at most cases of polymerization. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Enhanced nonlinearity in photonic crystal fiber by germanium doping in the core region

Germanium doping in silica can be used as a method for nonlinearity enhancement.Properties of the enhanced nonlinearity in photonic crystal fiber(PCF)with a GeO2-doped core are investigated theoretically by using all-vector finite element method.Numerical result shows that the nonlinear coefficient of PCF is greatly enhanced with increasing doping concentration,furthermore,optimal radius of the doped region should be considered for the desired operating wavelength.     

Theoretical study of the <Superscript>1,3</Superscript>Σ<Superscript>+</Superscript> states of the NaH molecule in the adiabatic and diabatic representations

Adiabatic and diabatic study for all the states dissociating below the ionic limit [i.e., Na (3s, 3p, 4s, 3d, 4p, 5s, 4d, and 4f) + H (1s)] in ¹Σ⁺ and ³Σ⁺ symmetries are presented. Adiabatic results are also reported for ^1,3Π and ^1,3Δ symmetries. Pseudo-potential, operatorial core-valence correlation, and full valence CI approaches combined with an efficient diabatization procedure are used in these ab initio calculations. Our vibrational-level spacings and spectroscopic constants are in good agreement with the available experimental data for the low-lying states. Diabatic potentials and dipole moments are analyzed, revealing the strong imprint of the ionic state in the ¹Σ⁺ adiabatic states. The hydrogen electron affinity correction was taken into account by the use of the efficient diabatization method. This leads to a better agreement with the available experimental data. Experimental suggestions are also given for the higher excited states based on their unusual behavior.     

快脉冲直线变压器驱动源模块的原理及实验

 介绍了直线型变压器驱动源（LTD）产生快脉冲的基本原理及技术优势，阐述了快脉冲LTD模块设计的要点，设计了输出脉冲上升时间小于100 ns的快脉冲LTD模块，并进行了初步的实验研究。实验得到该LTD模块充电±16 kV时，短路放电的电流峰值为23.7 kA，电流振荡1/4周期为69.6 ns；充电±50 kV驱动0.85 Ω负载时，电流峰值为41.4 kA，上升时间为36.8 ns（10%~90%）和60.8 ns（0~100%）。     

The dissociated properties of dislocation in two-dimensional triangular lattice

The dissociated core structure of dislocation in two-dimensional triangular lattice is determined by the variational method within lattice theory. The dissociation effect leads to a narrower core width of partial dislocations than the compact one. The equilibrium separation between two partial dislocations is not very sensitive to the intrinsic stacking fault energy and there exists deviation from the intrinsic stacking fault energy criterion in the continuous elastic theory of dislocation. The relationship between the equilibrium separation and intrinsic stacking fault energy is analogous in lattice theory and the Peierls-Nabarro model. But the equilibrium separation obtained in lattice theory is wider than that obtained in the Peierls-Nabarro model for the same intrinsic stacking fault energy.      

Spanning network games

We study fundamental properties of monotone network enterprises which contain public vertices and have positive and negative costs on edges and vertices. Among the properties studied are the nonemptiness of the core, characterization of nonredundant core constraints, ease of computation of the core and the nucleolus, and cases of decomposition of the core and the nucleolus. Received December 1994/Final version March 1998     

A note on the nucleolus and the kernel of the assignment game

There exist coalitional games with transferable utility which have the same core but different nucleoli. We show that this cannot happen in the case of assignment games. Whenever two assignment games have the same core, their nucleoli also coincide. To show this, we prove that the nucleolus of an assignment game coincides with that of its buyer–seller exact representative.I am grateful to C. Rafels and to the referees for their comments. Institutional support from research grants BEC 2002-00642 and SGR2001–0029 is also acknowledged.     

Constructing irregular surfaces to enclose macromolecular complexes for mesoscale modeling using the discrete surface charge optimization (DISCO) algorithm

Salt-mediated electrostatics interactions play an essential role in biomolecular structures and dynamics. Because macromolecular systems modeled at atomic resolution contain thousands of solute atoms, the electrostatic computations constitute an expensive part of the force and energy calculations. Implicit solvent models are one way to simplify the model and associated calculations, but they are generally used in combination with standard atomic models for the solute. To approximate electrostatics interactions in models on the polymer level (e.g., supercoiled DNA) that are simulated over long times (e.g., milliseconds) using Brownian dynamics, Beard and Schlick have developed the DiSCO (Discrete Surface Charge Optimization) algorithm. DiSCO represents a macromolecular complex by a few hundred discrete charges on a surface enclosing the system modeled by the Debye-Hückel (screened Coulombic) approximation to the Poisson-Boltzmann equation, and treats the salt solution as continuum solvation. DiSCO can represent the nucleosome core particle (>12,000 atoms), for example, by 353 discrete surface charges distributed on the surfaces of a large disk for the nucleosome core particle and a slender cylinder for the histone tail; the charges are optimized with respect to the Poisson-Boltzmann solution for the electric field, yielding a approximately 5.5% residual. Because regular surfaces enclosing macromolecules are not sufficiently general and may be suboptimal for certain systems, we develop a general method to construct irregular models tailored to the geometry of macromolecules. We also compare charge optimization based on both the electric field and electrostatic potential refinement. Results indicate that irregular surfaces can lead to a more accurate approximation (lower residuals), and the refinement in terms of the electric field is more robust. We also show that surface smoothing for irregular models is important, that the charge optimization (by the TNPACK minimizer) is efficient and does not depend on the initial assigned values, and that the residual is acceptable when the distance to the model surface is close to, or larger than, the Debye length. We illustrate applications of DiSCO's model-building procedure to chromatin folding and supercoiled DNA bound to Hin and Fis proteins. DiSCO is generally applicable to other interesting macromolecular systems for which mesoscale models are appropriate, to yield a resolution between the all-atom representative and the polymer level.     

Additive stable solutions on perfect cones of cooperative games

Closed kernel systems of the coalition matrix turn out to correspond to cones of games on which the core correspondence is additive and on which the related barycentric solution is additive, stable and continuous. Different perfect cones corresponding to closed kernel systems are described. Received: December 2001/Revised: July 2002 RID="*" ID="*"  This note contains the new results, which were presented by the first author in an invited lecture at the XIV Italian Meeting on Game Theory and Applications in Ischia, July 2001. The lecture was dedicated to Irinel Dragan on the occasion of his seventieth birthday.     

Buyer-seller exactness in the assignment game

In the assignment game framework, we try to identify those assignment matrices in which no entry can be increased without changing the core of the game. These games will be called buyer-seller exact games and satisfy the condition that each mixed-pair coalition attains the corresponding matrix entry in the core of the game. For a given assignment game, a unique buyer-seller exact assignment game with the same core is proved to exist. In order to identify this matrix and to provide a characterization of those assignment games which are buyer-seller exact in terms of the assignment matrix, attainable upper and lower core bounds for the mixed-pair coalitions are found. As a consequence, an open question posed in Quint (1991) regarding a canonical representation of a “45^o-lattice” by means of the core of an assignment game can now be answered. Received: March 2002/Revised version: January 2003 RID="*" ID="*"  Institutional support from research grants BEC 2002-00642 and SGR2001-0029 is gratefully acknowledged RID="**" ID="**"  The authors thank the referees for their comments