Simple algorithm for isothermal-isobaric molecular dynamics

We review principles of non-Hamiltonian statistical mechanics and present a new set of equations and integration algorithm for isothermal-isobaric dynamics. The chief advantage of the present scheme is that it is somewhat simpler than previous methods. We perform numerical simulations to test the accuracy of the algorithm and compare its stability to that of a "gold standard," a symplectic integrator for Hamiltonian dynamics of the same system. The stability of the isothermal-isobaric algorithm is comparable to the stability of the symplectic integrator.     

含胆汁酸和胆固醇的双亲性聚合物的研究进展

胆固醇和胆汁酸是广泛存在于自然界中的天然物质 ,生物相容性好 ,被广泛地用于高分子的疏水性改性 ,得到的双亲性聚合物 ,在水相中可以自组装或自聚集成纳米粒子。本文综述了含胆固醇或胆汁酸的双亲性聚合物的最新研究进展以及它们在药物载体系统中的应用。     

A study of carboxylic-modified mesoporous silica in controlled delivery for drug famotidine

A series of pure silica MSU and carboxylic-modified MSU materials were prepared. The formation of mesoporous silica materials with terminal carboxylic groups on pore surface was performed by the acid-catalyzed hydrolysis of cyano to carboxylic. Then their potential applications in controlled drug delivery carriers were investigated. Drug famotidine was selected as a model molecule out of the consideration of the terminal amino groups in its molecule. The adsorption experiments show significant adsorption of famotidine on the carboxylic-modified MSU materials. And, the functionalization level of carboxylic groups has been found to be the key factor affecting the adsorption capacities of the modified MSU materials for famotidine. Subsequently, three kinds of release fluids, including simulated gastric medium, simulated intestinal medium, and simulated body fluid, were used to test the famotidine release rate from the carboxylic-modified MSU material. Obvious delayed effect has been observed for the famotidine release from the carboxylic-modified mesoporous silica material under the in vitro assays.     

On the Integration by Parts and Characterization of a Fractional Diffusion Process北大核心CSCD

本文研究分数扩散过程和其分部积分公式的关系.首先利用Bismut方法给出拉回公式,进而得到分数扩散过程的分部积分公式。反过来,证明了分数扩散过程可由其分部积分公式唯一刻画.     

考虑订单取件时间和柔性时间窗的取送货车辆路径问题

研究了同城配送中考虑订单取货时间和柔性时间窗的取送货车辆路径问题,考虑同城配送中订单起终点,订单取货时间和订单配送的柔性时间窗,车容量限制等因素。首先构建以配送成本与超时惩罚成本之和最小化为目标的混合整数线性模型。其次,设计了含多种有效不等式及其对应分离算法的改进分支切割算法对该模型进行精确求解。最后通过实验测试分析了不等式的性能,验证了算法的有效性,实验表明适当的减少车辆数和增大装载能力能够有效的减少成本。     

军民融合背景下地方政府支持与民企参军行为的演化博弈研究

民参军是军民融合的重要组成内容,政府支持对于民参军的顺利进行发挥着关键作用。本文通过建立军民融合背景下的地方政府支持与民企参军行为的演化博弈模型,考察了参与者的决策演化过程,分析了参与者的进化稳定策略及影响因素。研究表明,增加地方政府对民企的资金奖励、加大民企参军税收优惠、民企资金收益率的提升,以及积极参军成本的降低,会使民企策略选择向积极参军方向演化,但却使地方政府行为向弱力度支持策略演化;而提升中央政府对地方政府的资金补助,降低地方政府支持民企积极参军的服务成本,不仅促使民企选择积极参军策略,还能促使地方政府选择强力度支持策略。最后,对模型结果进行算例分析,验证了结论的合理性。研究结果可以为当前民参军实践提供一定的理论指导。     

MgCl2 Enhances Cluster Formation by Nanoscale Toroidal DNA Condensates

Multivalent cations can cause DNA to condense from its extended state in solution into high-density toroid-shaped particles. Developing methods to control the size and size distribution of DNA toroids is an important goal for the development of artificial gene delivery systems. Here we demonstrate that changes in salt conditions, prior to condensation by multivalent cations, can significantly affect DNA condensation. Specifically, millimolar concentrations of MgCl₂ are shown to cause the formation of toroid clusters, whereas NaCl at the same ionic strength does not.     

聚L－谷氨酸－炔诺酮肟酯复合体的制备

合成了聚Ｌ－谷氨酸－炔诺酮肟酯的复合体，炔诺酮的接入量为２２．８％．体外释放时间约１５大。     

A new poly(2-hydroxy-3-phenoxypropylacrylate, 4-hydroxybutyl acrylate, diethyl maleate) membrane controlled clonidine linear release in the transdermal drug delivery system

Oral clonidine, used as an antihypertensive, can result in some side effects such as dry mouth, drowsiness, dizziness and sedation; thus, clonidine transdermal drug delivery (TDD) was considered. Use of the controlled release membrane was one of the methods in TDD systems to regulate the permeation properties. A new type of copolymer membrane that controlled clonidine linear release in TDD system was synthesized by UV radiation. This membrane consisted of three monomers: 2-hydroxy-3-phenoxypropylacrylate, 4-hydroxybutyl acrylate and diethyl maleate. The membrane had both fine permeation properties and perfect physical properties when three monomers were in the weight ratio of 4:4:2; this type of membrane was chosen as an optimized membrane. It was found that the membrane controlled clonidine zero-order release, the permeation rates decreased with the thicknesses of membranes increasing, and the permeation rates were linearly dependent on the square root of the concentration of clonidine. Furthermore, the optimized membranes were characterized by FTIR, DSC and SEM.     

可生物降解聚合物药物释放数学模拟研究进展

由于可降解的聚合物作为药物载体可以使得药物释放具有较高的靶向性、药物释放更加平缓 ,特别是可以使一些不稳定、半衰期短的药物在人体内达到可控制释放的效果 ,因此将可降解聚合物应用于药物释放体系中作为药物载体得到了较深入的研究。随着研究的深入 ,通过数学方法模拟或预测聚合物载体的降解过程以及聚合物降解过程中药物的释放行为是控释体系设计与应用的一个重要发展方向。由于影响因素较多 ,将所有因素逐一考虑将使得数学模型过于庞杂而失去实际意义 ,所以一个数学模型通常只考虑最主要几个的影响因素 ,并对药物释放系统进行相应的假设。目前文献中报道的降解 (溶蚀 )控制药物释放体系的数学模型大致可以分为两类 :假设药物释放按照零级过程 (zeroorderprocess)进行的经验模型和考虑影响药物释放的多种物理化学过程(如局部传质、化学反应 )的理论模型。本文综述了这些理论模型及其研究进展