团簇Co3FeP异构化反应的热力学与动力学研究

为了寻找团簇Co₃FeP的稳定性、结构和内部作用力等规律，利用密度泛函理论，在B3LYP/Lanl2dz的量化水平下对团簇Co₃FeP进行理论计算，得到5种优化构型，并从化学反应热力学与动力学的角度对其异构化反应中的反应物、过渡态和生成物进行了讨论分析。结果表明，所有构型均为C1对称且构型的空间结构对其熵值有影响；构型的稳定性主要由金属原子与非金属原子所决定，并且在常温常压下构型1^（3）、2^（3）和3^（3）可以稳定存在，是大部分异构化反应的最终产物。因此，在实际材料的开发中，不仅需要注意金属原子与非金属原子之间的作用力以确保构型的稳定性，还应首先考虑对稳定构型1^（3）、2^（3）和3^（3）进行相关研究。     

有机/无机杂化材料与多功能纤维研究进展

有机/无机杂化材料能够实现有机高分子材料与无机材料在纳米或分子水平上的复合,在发挥各自组分特性的同时,体现出特有的协同效应,如新性能、多功能.该原理同样适用于有机/有机杂化体系.随着产业用纤维材料的不断发展,其应用领域也随之拓展,开发新型高分子材料,实现纤维的多功能化成为研究热点.根据纤维多功能化的发展需求,结合有机/无机杂化机理,在分子水平上设计构筑杂化功能材料,采用结构设计、界面构筑的方法建立杂化功能材料与成纤高聚物杂化体系.以成纤高分子的结构设计及凝聚态控制、纳米纤维和低维纳米材料的结构可控制备及其功能化复合为例,简要介绍了有机/无机杂化原理在纤维多功能化方面的研究进展,最后提出了多功能化有机/无机杂化纤维的展望.     

Efficient synthesis of functionalized 2-pyridones by ytterbium chloride catalyzed tandem condensation

An efficient method was developed for the synthesis of arylidene heterobicyclic 3-cyano-2-pyridones via ytterbium chloride catalyzed tandem condensation of aromatic aldehydes,cyclic ketones,and cyanoacetamide.The conditions and scope of the reaction were investigated and a reaction mechanism was proposed.     

中子诱发锕系元素裂变的宏观-微观理论研究

宏观-微观模型是核裂变机制理论研究的主要途径之一,是有希望可以很好诠释实验并与实验结果进行定量比较的理论方法.本文综述了在中子诱发锕系元素裂变的宏观-微观理论研究的主要进展.通过开展宏观-微观模型研究,实现了基于五维形变参量的势能曲面的真实计算,利用先进的搜索算法研究获得了核裂变路径、鞍点构型等势能曲面结构信息.基于五维势能曲面上的裂变动力学研究,实现了对主要锕系元素的裂变碎片质量分布数据的理论描述.     

液气相变型超声分子探针研究进展

随着分子成像技术和各种纳米生物材料的迅速发展,医学影像技术有望对人体疾病实现从器官、组织水平到细胞、分子水平全方位、多层次在体实时观察.通过基于分子靶标的肿瘤早期诊断、革命性的肿瘤分子分型以及肿瘤边界确定和术中手术导航的全面开展,实现精准医学.超声分子影像是分子影像学的一个新的分支,在近10年发展迅速.液气相变型超声分子探针凭借其良好的穿透性以及诊疗一体化等优点,已显示出其优于传统超声分子探针的众多优势,在基础与临床应用方面展现出巨大潜力.本文对液气相变型超声分子探针的相变机制以及近几年在生物医学应用领域的研究进展进行了综述.     

Subspecies in Przewalski’s gazelle Procapra przewalskii and its conservation implication

Przewalski’s gazelle Procapra przewalskii is an endangered species endemic to China. A question remains about subspecific variation in this species. Skulls of Przewalski’s gazelle collected from its current remnant ranges around the Qinghai Lake in combination with those collected prior to the 20th century were measured and analyzed using Hierarchical Cluster Analysis in order to clarify the question. Unexpectedly, P. p. diversicornis, extirpated from its historic range, has spread to the Qinghai Lake region where it has replaced nominotypical P. p. przewalskii and is now restricted to a few small isolated populations around the lake. We discuss the causes of this unexpected replacement. In this study, we discuss the possibility of a new form, possibly a new subspecies, in the Guide Basin, adjacent to Qinghai Lake; it is unclear whether the new form has long existed and was only discovered in recent years, or whether it evolved in recent times due to the geographical isolation and anthropogenic landscape features. The study sheds light on the processes of microevolution and subspeciation in Procapra przewalskii, and based on the findings, we propose measures for conservation strategies for Przewalski’s gazelle.     

Preliminary results pertaining to coseismic displacement and preseismic strain accumulation of the Lushan M S7.0 earthquake, as reflected by GPS surveying

This paper presents the coseismic displacement and preseismic deformation fields of the Lushan M _S7.0 earthquake that occurred on April 20, 2013. The results are based on GPS observations along the Longmenshan fault and within its vicinity. The coseismic displacement and preseismic GPS results indicate that in the strain release of this earthquake, the thrust rupture is dominant and the laevorotation movement is secondary. Furthermore, we infer that any possible the rupture does not reach the earth’s surface, and the seismogenic fault is most likely one fault to the east of the Guanxian-Anxian fault. Some detailed results are obtainable. (1) The southern segment of the Longmenshan fault is locked preceding the Lushan earthquake. After the Wenchuan earthquake, the strain accumulation rate in the southeast direction accelerates in the epicenter of the Lushan earthquake, and the angle between the principal compressional strain and the seismogenic fault indicates that a sinistral deformation background in the direction of the seismogenic fault precedes the Lushan earthquake. Therefore, it is evident that the Wenchuan M _S8.0 earthquake accelerated the pregnancy of the Lushan earthquake. (2) The coseismic displacements reflected by GPS data are mainly located in a region that is 230 km (NW direction) × 100 km (SW direction), and coseismic displacements larger than 10 mm lie predominantly in a 100-km region (NW direction). (3) On a large scale, the coseismic displacement shows thrust characteristics, but the associated values are remarkably small in the near field (within 70 km) of the earthquake fault. Meanwhile, the thrust movement in this 70-km region does not correspond with the attenuation characteristics of the strain release, indicating that the rupture of this earthquake does not reach the earth’s surface. (4) The laevorotation movements are remarkable in the 50-km region, which is located in the hanging wall that is close to the earthquake fault, and the corresponding values in this case correlate with the attenuation characteristics of the strain release.     

Structures of magnetic null points in reconnection diffusion region: Cluster observations

Magnetic reconnection is a very important and fundamental plasma process in transferring energy from magnetic field into plasma. Previous theory, numerical simulations and observations mostly concentrate on 2-dimensional （2D） model; however, magnetic reconnection is a 3-dimensional （3D） nonlinear process in nature. The properties of reconnection in 3D and its associated singular structure have not been resolved completely. Here we investigate the structures and charactedstics of null points inside the reconnection diffusion region by introducing the discretized Poincar6 index through Gauss integral and using magnetic field data with high resolution from the four satellites of Cluster mission. We estimate the velocity and trajectory of null points by calculating its position in different times, and compare and discuss the observations with different reconnection models with null points based on characteristics of electric current around null points.     

高压均质技术结合喷雾干燥法制备布地奈德多孔微球

采用高压均质技术对布地奈德颗粒进行了纳米化制备,考察了均质压力和循环次数对产品粒径和粒度分布的影响。实验结果表明,粒子的大小和分布随着均质压力的增大和循环次数的增多明显下降。在100MPa和循环60次的最优条件下可制得平均粒径为0.64μm、峰宽为0.44的布地奈德颗粒。该浆料经喷雾干燥后形成了平均粒径为2.90μm的多孔微球,比表面积为8.71m²/g。与布地奈德的甲醇溶液喷干产品相比,多孔微球粒度分布更均匀、比表面积更大。经FT-IR和XRD表征,结果表明高压均质和喷雾干燥过程均没有改变布地奈德分子的化学结构,多孔微球为结晶型颗粒,而溶液喷干产品为无定型颗粒。     

单分散纳米碳酸钙的制备和表征

采用微乳液法,利用Ca(NO₃)₂和Na₂CO₃在微乳液界面处发生反应,制备得到了分散性良好,尺寸大小为10nm左右的纳米碳酸钙。实验发现,油酸含量对碳酸钙分散性有重要影响,当油酸含量是碳酸钙质量的2.5%时,所制备的颗粒分散性良好。XRD检测结果表明,所得碳酸钙产品主要包含球霰石和方解石两种晶型;热重（TG）和差热（DSC）分析表明：包覆在纳米碳酸钙表面的改性剂质量分数与加入的油酸的量相吻合,这证明了油酸基本包覆在了碳酸钙粒子表面,从而改善了碳酸钙的分散性。