原子团簇P_(13)结构的密度泛函研究

使用分子建模软件设计出多种可能的P13团簇结构后,再用B3LYP密度泛函方法(6 31G 基组)进行几何优化和振动频率计算,得到了15种势能面上局域最小点结构(所有的振动频率均为正值),它们分别具有Cs和C2v对称性,原子团簇中的磷原子采用二或三配位成键.由楔状P8派生出的结构(Cs对称性)是最稳定的同分异体.从分子结构的几何形状上看,P8的楔状构型经常包含在P13的模型中,它是组成大分子磷原子的重要结构基元,可用来构造能量相对较低的大分子磷原子团簇

硫原子团簇负离子的螺旋结构

在使用B3LYP密度泛函进行几何构型优化和振动频率计算得到的硫原子团簇负离子的结构中,分子的总能量最低的S9- 到 S13-的同分异构体呈螺旋状构型。另外也计算了螺旋状的Sn- (n = 14~20)的结构。大多数的的硫负离子是链状结构,这与相应中性硫原子团簇的环状构型完全不同

高超声速升力体气动力气动热数值计算

升力体气动布局，由于其良好的高超声速气动特性、有效的内部空间和有益的防热特性，越来越受到气动工作者的重视，该文应用张涵信院士的NND格式思想，用数值模拟的方法对类似于美国X-33的升力体外形进行了气动力、气动热研究。特别是在粘性项的离散和表面热流率的计算中应用了散度和梯度的积分定义，避免了数值计算的奇异性，保证了通量守恒，提高了计算效率。结果表明气动热计算结果与美国同类飞行器结果接近，驻点热流率与经典理论结果一致

智能网的多微机并行推理系统的研究

智能网络(intellegent network,IN)是计算机网络研究领域的一个新方向, 它要求计算机网络能够提供“ 操作 智能化”和“ 服务智能化” 。 A1型IN是由智能工作站(Intellgent workstation,IW)构成的智能网络 。 本文以中日国际合 作开发研究的A1型为背景, 重点讨论IW的多微机并行推理系统MMPIS的设计与实现航天基金资

痤疮发病机制及其药物治疗的研究进展

目的：了解痤疮的发病机制及其药物治疗的研究进展,为其临床治疗提供参考。方法：查阅近年来国内外相关文献,就痤疮的发病机制及其药物治疗的研究进展进行归纳和总结。结果：痤疮的发病机制主要为雄激素分泌异常、痤疮丙酸杆菌的大量繁殖、炎症损害和免疫失常及毛囊皮脂腺导管角化异常等。痤疮的局部治疗药物中维A酸类药物与抗菌药物可联用于治疗轻、中度痤疮,其中全反式维A酸、阿达帕林与他扎罗汀是治疗轻度痤疮的首选药物,全反式维A酸常联合外用抗菌药物治疗中度痤疮,阿达帕林和克林霉素分别与过氧化苯甲酰联用、果酸参与的联合给药方案也用于治疗痤疮。口服治疗药物中维A酸类药物主要用于重度痤疮,第一代的异维A酸较第二代疗效更好,但均有致畸作用;口服抗菌药物适用于中、重度痤疮患者,多西环素与米诺环素是首选药物,米诺环素联用过氧化苯甲酰疗效好;大环内酯类抗菌药物口服后不良反应较多,故常作为外用药;口服激素类药物中的抗雄激素类药物用于女性患者,但长期使用会引发高胰岛素血症;螺内酯有潜在的安全问题,西咪替丁抗雄激素效果较弱,不作为治疗痤疮的常用药物;糖皮质激素类药物常用于暴发性痤疮或聚合性痤疮的治疗,使用剂量须严格控制。结论：痤疮的治疗应根据痤疮的发生原因和严重程度选择合理的用药方案,增加疗效并减少不良反应的发生,并注意药物相互作用,提高用药安全性。军队医疗机构制剂标准提高科研专项课题（No.14ZJZ17

Marine and Coastal Management in Taiwan from the Perspective of ICZM Principles

*刘文宏,国立高雄海洋科技大学渔业生产与管理系副教授。电子邮箱:andersonliu@ mail.nkmu.edu.tw。**高瑞钟,国立高雄海洋科技大学运筹管理系助理教授［文摘］台湾四面环海,岛上平原有限,人口密集。土地资源宝贵但相当有限,海岸地区成为满足各种需求进一步发展的潜在地,并变成公私部门的抢手目标。但台湾海岸地区规划不善、使用不当,造成一连串问题,如自然海岸线流失、自然栖息地遭破坏、海洋生物资源减少等等。过度急速发展与不当使用导致台湾海岸地区面临严重威胁,所以台湾政府正致力于改善海岸管理。即便如此,还是有很多问题尚待解决。本文分析台湾海洋与海岸管理的背景与发展史,以理清海岸管理的思路,并使用海岸带综合管理原则来检视台湾海岸管理的架构。同时本文也检视海岸管理的进展、绩效以及问题,分析导致管理问题的诱因、障碍、未来发展的机会与威胁。本文最后根据欧洲的海岸管理原则和实践提出对海岸管理的建议。［Abstract］Surrounded by sea waters,Taiwan is a densely populated island with only a few flat lands.Due to the scarcity and high value of available land,the coastal zone seems to provide potential sites to meet various needs of further development and to attract both public and private developers.However,coastal zones in Taiwan have not been well planned and used,resulting in problems such as loss of natural coastline,destruction of natural habitats and decline of living marine resources.The coastal zones in Taiwan are under heavy pressures of rapid development and incompatible uses,leading the Taiwan authorities to have to devote efforts to improve coastal zone management.However,a few problems still remain to be solved.Therefore,this study analyses the background and evolution of marine and coastal management in Taiwan to figure out the thread of coastal management.Next,the ICZM principles are used to examine the coastal management framework in Taiwan.The progress,performance and problems of coastal management are also analyzed to find drivers/triggers,obstacles,future opportunities,and future threats.Finally,suggestions are proposed according to principles and practices from Europe.本文受“国家科学委员会”(NSC962415H022003)研究资助

Progress of operation of NADPH metabolism in industrial strains

还原型辅酶Ⅱ(nAdPH)主要参与细胞合成代谢,是微生物代谢网络中含量最丰富的氧化还原辅酶之一。辅酶工程作为代谢工程的重要分支,通过改变微生物胞内辅酶再生途径,进而改变细胞内代谢产物构成。本文在归纳nAdPH产生途径和调控的基础上,分析和评述了工业微生物基于辅酶工程的nAdPH代谢调控研究进展,包括过量表达nAdPH代谢相关酶、敲除nAdPH代谢相关基因及引入特定代谢途径等策略,指出今后的研究重点在于深入理解nAdPH调控与中心碳代谢网络的相互作用,为利用代谢工程进行细胞工厂改造提供基础。Nicotinamide adenine dinucleotide phosphate(NADPH),a hemoprotein reductase,or in older notation,triphosphopyridine nucleotide is one of the most abundant redox cofactors in the metabolic network.It is the main electron donor in anabolism and is mainly used in the biosynthesis of biomass precursors.As an important branch of metabolism engineering,cofactor engineering changes the NADPH regeneration pathways and rebuilds the components of metabolic products.In this paper,we introduce the pathways in which NADPH is generated and reviewed the strategies to operate NADPH,including overexpression of enzymes,deletion of genes associated with NADPH metabolism or introduction of heterogeneous NADPH metabolic pathways.More attention should be focused on deeper understanding of the interplay between the operation of NADPH and central carbon metabolic networks in the future.国家自然科学基金(41176111);教育部留学回国人员科研启动基金(2010);福建省高等学校新世纪优秀人才支持计划(07FJRC03);中央高校基本科研业务费(JB-ZR1112);华侨大学科研基金(12BS132)项

Improvement of n-butanol recycling technique in industrialized production of silicon dioxide as flatting agent

针对福建某工厂现有工艺生产二氧化硅消光剂过程,采用间歇蒸馏方式回收正丁醇存在时间长、效率低等问题,提出使用双塔精馏工艺进行改进以缩短正丁醇回收时间和提高回收效率。对改进后的工艺使用流程模拟软件进行模拟计算,获得了新的工艺条件参数。改进后,冷凝分层温度为85℃,精馏塔一塔釜液中正丁醇质量分数为99.62%,精馏塔二塔釜中正丁醇质量分数为0.31%。在此基础上搭建了实验室规模精馏装置并进行了验证试验,试验结果与模拟计算值接近,相对平均偏差为5.4%,表明模拟计算的结果可信。模拟计算结果为工业装置的优化提供了依据。改进后,正丁醇回收率将大幅提高,生产周期由原来的10 H缩短为5 H,能耗显著降低。采用此工艺生产二氧化硅消光剂可大幅降低过程成本。In order to reduce time cost and increase efficiency in n-butanol recycling,a double-column distillation process was suggested to replace the existing batch process due to its high time consumption and low efficiency.The improved process was simulated with flow simulation software.The calculated results show that in the improved process,condensing temperature is 85 ℃,the mass fraction of n-butanol at the bottom of Column 1 and Column 2 is 99.62% and 0.31% respectively.The verification tests on lab-scale distillation device were carried out.It shows that the calculated results are close to the tested results,and the average relative deviation is 5.4%,which indicates the calculated results are credible,and can provide a basis for optimization in industrialized plants.Now,n-butanol recycling efficiency increases largely and production cycle is reduced from 10 h to 5 h and energy consumption drops remarkably,so production cost can be largely reduced

Optimization of Hydrometallurgical Purification for SiO_2 in the Process of Preparing Solar-grade Silicon

考察了Hf质量分数、H2C2O4质量分数、HnO3质量分数、酸浸时间、粒径、液体质量与固体质量的比值(简称液固比,下同)等因素对混酸法提纯SIO2工艺过程的影响,利用电感耦合等离子体发射光谱仪(ICP-OES)、场发射扫描电子显微镜(SEM)进行表征。结果表明,最佳工艺条件为:W(Hf)=2%、W(H2C2O4)=3%、W(HnO3)=30%、酸浸时间4 H、粒径100~120目、液固比4∶1、酸浸温度30℃。fE、Al、CA、P杂质的去除率分别达到99.99%、14.02%、73.27%、60.00%,经混酸法处理后SIO2中杂质总量的质量分数降至1.465x10-4。As a pre-treatment unit for preparing solar-grade silicon,hydrometallurgical route could remove most metallic impurities in silicon dioxide(SiO2) and raise the yield of the final product.Acid leaching of SiO2 could reduce the cost and energy consumption of industrialized development.Combined with high purity of reducing agent,the successor process of pyrometallurgy can also achieve "continuous casting".Factors such as the mass fraction of leaching agent,time,the particle size of SiO2,and the liquid-solid ratio were investigated,and the samples were characterized by means of ICP-OES,SEM,etc.The optimal reaction conditions were as follows:w(HF)=2%,w(H2C2O4)=3%,w(HNO3)=30%,reaction time 4 h,the average size of SiO2 powder particle 100～120 mesh,the liquid-solid ratio 4∶1,and room temperature 30 ℃.It was found that the final removal rates of impurities of Fe,Al,Ca,P could reach 99.99%,14.02%,73.27%,and 60.00% respectively and the mass fraction of total amount of impurities could be reduced to 1.465×10-4

Preparation and evaluation of insulin thiolated hyaluronic acid nanoparticles in vitro

目的制备胰岛素巯基化透明质酸纳米粒(InSulIn THIOlATEd HyAlurOnIC ACId nAnOPArTIClES,InS-HA-CyS-nPS),考察纳米粒的理化性质。方法以合成的具有生物黏附性质的巯基化透明质酸作为载体,采用超声乳化法制备纳米粒,考察其外观、粒径、zETA电位、包封率、载药量,并进行其冻干制剂的冻干保护剂筛选。结果制备的InS-HA-CyS-nPS粒径均一,外观圆整;平均粒径为(178.5±0.8)nM,PdI为(0.214±0.013),zETA电位为-(38.47±0.46)MV,超滤离心法测定载药纳米粒的包封率为(48.85±0.66)%,载药量为(4.79±0.13)%;选择10%的甘露醇为冻干保护剂,复溶后得到具有蓝色乳光的粒径均一的纳米粒混悬液。结论巯基化透明质酸纳米粒是蛋白多肽类药物口服给药的潜在载体,为下一步研究胰岛素纳米粒在大鼠体内药效、药动学研究提供前提和基础。Objective To prepare insulin thiolated hyaluronic acid nanoparticles( Ins-HA-Cys-NPs) and study its physicochemical properties.Methods The Ins-HA-Cys-NPs was prepared by ultrasonic emulsifying method,and the properties of nanoparticles including morphology,mean diameter,Zeta potential,entrapment efficiency and drug loading efficiency were studied,as well as the cryoprotectant selection.Results The prepared nanoparticles was round in appearance and the mean diameter was( 178.5 ± 0.8) nm,the polydispersity index was( 0.214 ± 0.013) and the Zeta potential was-( 38.47 ± 0.46) mV,while the entrapment efficiency was( 48.85 ± 0.66) %,drug loading efficiency was( 4.79 ± 0.13) %; 10%mannitol as cryoprotectant provided uniform and well dispersed suspension of nanoparticles with blue opalescence after redispersion.Conclusion The thiolated hyaluronic acid nanoparticles may be used as the carrier for oral drug delivery system of insulin,and it provides a basis for studies on rats in vivo.福建省自然科学基金(2012J05159