Electronic structure and magnetism of compound Nd2FeI7N3

The electronic structure and magnetism of compound Nd₂Fe₁₇N₃ has been studied with MS-Xα method. It was found that there are negative exchange couplings between Fe(f) and Fe(c) atoms in Nd₂Fe₁₇N_x compounds. The interstitial N atoms make the unit cell volume of the compounds increase a little, and hence the strength of negative exchange coupling decreases.     

Assemble four-arm DNA junctions into nanoweb

DNA is of structural polymorphism, which is useful in nanoarchitecture; especially, four-arm DNA junctions can be used to assemble nanowebs. The static four-arm DNA junctions were designed and synthesized. One-arm DNA and two-arm DNA came out simultaneously with the four-arm DNA junction’s formation. A new method, termed the two-step method, was proposed and the productivity of four-arm DNA junctions was increased. A nanoweb was assembled successfully, but it showed irregularity itself. It was not the same as we expected. We consider that it is a result from the flexibility of four-arm DNA junction.     

天然棉纤维表面超微结构及其变化的定量分析

天然棉纤维为异质性生物大分子，其超分子结构复杂. 通过对棉纤维细胞壁横切面的微观分析，发现其结构单元主要是微纤丝，异质性棉纤维超分子结构主要是微纤丝聚集排列方式的变化造成的. 利用原子力显微镜（AFM）对棉纤维表面立体结构的直接观察分析也进一步确证微纤丝聚集排列方式的多样性. AFM获得的结构图像是三维立体的，其起伏变化的指标——表面粗糙度，能够定量地表征棉纤维表面超微结构（微纤丝交叉区与平行区）及其降解过程中的变化程度. 对比X光衍射（XRD），红外光谱（FTIR）等跟踪棉纤维结构的变化结果，AFM对表面超微结构的分析能够在更深层次上反映具体结构的变化规律，从而为解决异质性的纤维素超分子结构与酶解效率之间定量关系的研究奠定了基础.     

Equilibrium dialysis study on the interaction between Cu(II) and HSA or BSA

The interaction of Cu(II) and human serum albumin (HSA) or bovine serum albumin (BSA) at physiological pH is studied by equilibrium dialysis. The successive stability constants are obtained by non-linear least square methods fitting Bjerrum formula. For both the Cu(II)-HSA and Cu(II)-BSA systems, the order of magnitude of K₁ and K₂ was found to be ≈10⁴ mol⁻¹· dm³. There are about twenty stoichiometry binding sites found in one HSA or BSA molecule. They can be divided into two or three sets. Results of equilibrium dialysis experiments suggest that there exists one strong metal binding site in both Cu(II)-HSA and Cu (II)-BSA. It is the imidazol group nitrogen atoms of His³ that are primarily concerned with copper binding site. After reaching dialysis equilibrium, there is the interaction among the different binding sites, the values ofK all deviate from the simple statistical effect except forK ₁ and K₂ in both Cu(II)-HSA and Cu(II)-BSA systems, and the positive cooperative effect is found.     

FAAS法连续测定葡萄糖酸钙(铁、锌)制剂中三组分含量

采用火焰原子吸收光谱法在同一体系中测定葡萄糖酸钙(铁、锌)制剂中三组分的含量。方法简单，快捷。精密度与准确度满足分析要求。     

HCl分子基态（X^1 ∑^＋）的平衡几何与势能函数

采用密度泛函理论的B3LYP方法和二次组态相互作用的QCISD和QCISD（T）等理论方法，在D95（d），6—311G（d，P）和6—311G（3df，3pd）基组下，对HCl分子基态的平衡结构、离解能和谐振频率进行了优化计算，利用QCISD／d95（d）对HCl分子的基态进行了单点能量扫描，并将扫描结果用正规方程组拟合Murrell—Sorbie势能函数．由拟舍得到的势能函数，计算与X^1 ∑^＋态相应的光谱常数（Be、αe ωe和ωeXe），其结果与实验符合得较好．     

Atomic Ionization by Electron Impact

The field of atomic ionization by electron impact is several decades old. In that period of time, significant progress has been made in several aspects of the problem and we have learned a lot about ionizing collisions as a result of this work. Over the years, both the experiments and theories have improved dramatically. Experiments are now able to measure absolute triple differential cross sections for both in-plane or out-of-plane geometries. Theories have been getting better and better at including all the 3-body interactions in the wavefunction for the system. However, during the history of the field, experiment has been ahead of theory and it is just very recently that theory has started to catch up. In this paper, we will show that theory is now able to accurately predict the results of electron impact ionization of hydrogen for intermediate and higher energies.     

基于原子动作的稳态存储器及稳态处理器的构建方法

一致性是分布式系统中的一个重要议题，而原子动作则是确保系统一致性及稳定性的有效手段。基于原子动作，就存储器的读／写，更新以及处理器的进程，共享信号等问题，提出了一种在物理设备上构建稳态存储器及稳态处理器的方法。有关算法在８０８６系列微机上用汇编语言实现，得到了验证。     

元素立体周期律初探

通过中子数与质子数的差值研究元素周期律，探讨发展“元素立体周期律”。     

原子吸收法测定4,4′-二氨基二苯醚中钠和钾

用原子吸收法测定４ ，４′ 二氨基二苯醚中钠和钾，分析了干扰因素，得出了测定条件，为纯化聚酰亚胺的原料提供了检测手段．