新型混合脂质体的制备及其与药物的分子识别研究

设计、合成了含核酸碱基的双亲化合物N6-十四酰基-9-辛基腺嘌呤三甲基溴化铵;用目标化合物和卵磷脂制备混合脂质体受体。分别研究了受体与巴比妥酸、核黄素药物在混合脂质体亲脂区通过互补氢键进行的分子识别。紫外可见光谱研究表明,底物巴比妥酸在258nm的吸收峰,核黄素在222nm,264nm的吸收峰随时间的延长而逐渐降低,这种减色作用归因于脂质体内的巴比妥酸和核黄素在亲脂区分别与双亲化合物上的腺嘌呤形成了氢键。     

Optical and Acoustical Frequencies in a Nonlinear Helicoidal Model of DNA Molecules

We compare optical and acoustical frequencies in the Peyrard-Bishop-Dauxois model, i.e. an extended Peyrard-Bishop model, of DNA molecules. We discuss how ratio of those frequencies depends on a value of the harmonic constant of the helicoidal spring K. Also, we suggest that the most favourable mode could be a resonance mode.     

纳米PIC-I分子聚集体的超辐射和Z-扫描研究

分子聚集体在非线性光学和集成光学等领域有潜在的应用前景。纳米结构一维染料分子J—聚集体有许多既不同于单个分子又不同于体材料的奇异性质，即超辐射和巨光学非线性。这种超辐射是由于在几个本征态内振于强度结合在一起，得到一巨跃迁偶极于，因而是超辐射的。跃迁速率与耦合分子个数N成正比。分子聚集体的J—吸收和超辐射发射是共振的。利用Z—扫描技术测量PIC在不同配比下的非线性折射率、非线性吸收系数和非线性极化率。观测到随着链长变短，样品的三阶非线性极化率增大。对这种非线性增强的机制进行了分析和讨论。     

Self-assembly behaviour of amphiphilic diblock copolymer in selective solvents studied by synchrotron small-angle x-ray scattering

The aggregation behaviour of styrene-vinyl benzoic acid (PSm-b-PVBAn) amphiphilic diblock copolymers in selective solvents with different m and n was investigated by synchrotron small-angle x-ray scattering (SAXS). We have carried out a detailed analysis of scattering intensity, dimension, shape and microstructure of the diblock copolymers of narrow distribution in water, methanol, ethanol and isopropanol selective solvents, respectively. We have found that the aggregation behaviour of the copolymer depends on the nature of the solvent and the micelle forms fiat disc objects with the ratio of radius ω=0.4. The average radius gyration Rg of the copolymer decreases as solvents change from isopropanol to ethanol and to methanol, and increases with increasing pH in aqueous solution, but decreases with the addition of COCl2 in ethanol solvent. The scattering intensity of diblock copolymer micelle follows I(h) ∝ h^-α in different selective solutions, suggesting that the PSm-b-PVBAn coils have self-similar structure behaviour or a fractal structure in the selective solvents. All of these revealed that the aggregation behaviour of the diblock copolymer changes dramatically with experimental condition in the selective solvent. The increase of mass fractal dimension (Dm) from 2.12 to 2.47 indicates that the copolymer chain changes from a swollen coil to a rather compact disc in the course of changing solvents, decreasing surface fractal dimension (Ds) from 2.98 to 2.58 indicates that the copolymer micelle change from a rather rough surface to a smooth form in the course of increasing pH in aqueous solutions, and increasing Dm and Ds from 2.29 to 2.35 and 2.70 to 2.90, respectively, indicates the shrinkage of copolymer micelle to a rather compact and rough disc form by adding COCl2 in ethanol solvents.     

关于气体中有无速率为无穷大分子的再讨论

本文以较简捷的方法讨论了气体分子速率问题，给出了计算分子最大速率的理论公式，通过这些讨论可更加深入地理解气体中分子的运动情况，准确地理解麦克斯韦速率分布函数。     

Silane photoabsorption spectra mear the Si 2p thresholds：the geometry of Si 2p excited SiH4

Based on the multiple-scattering self-consistent-field method, we have studied the photoabsorption spectra near the Si 2p thresholds of silane. According to our calculations, the clear assignments of the inner-shell photoabsorption spectra are provided. In comparison with the high-resolution experimental spectra, the geometric structure of the Si 2p-excited SiH_{4}^{**} is recommended to be of a C_{2v} symmetry. More specifically, the Si 2p-excited SiH_{4}^{**} have two bond lengths of 2.50 a.u. and another two bond lengths of 2.77 a.u., and the corresponding two bond angles are 104.0° and 112.5° respectively.     

烷烃类分子对NC0（A^2∑^＋）自由基的猝灭

采用激光光解—激光诱导荧光(LP—LIF)的方法，用266nm激光光解CHBr3分子产生CH自由基，再与N2O继续反应作为NCO自由基的产生源，用438．6nm激光将电子基态X^2∏i(00^10)的NCO激励到激发态A^2∑^+(00^00)上，通过检测激发态NCO时间分辨荧光信号，测得室温(298K)下NCO(A^2∑^+)被烷烃类分子猝灭的实验结果，获得了A^2∑^+(00^00)态猝灭速率常数．实验发现，随着烷烃分子中C—H键数增加，其猝灭截面也近线性增加，但随着分子体积增大，这种增加趋缓．     

碰壁分子的平均速率和平均能量

本文对气体系统内的碰壁分子的平均速率和平均能量为会么会大于系统内分子的平均速率和平均能量进行了定性解释，并求出了这两类不同平均值之间的一般关系，最后针对经典理想气体算出了定量结构。     

同系列电子给体与同系列电受体电荷转移络合作用的研究

用电子吸收光谱法, 研究了五个电子受体系列和三个电子给体系列以及非同系列的给、受体共48个化合物间的弱电荷转移络合作用。发现所研究的同系列给体与同一受体作用; 或同系列受体与同一给体作用; 或同系列给体与同系列受体作用, 一般存在着明显的CT络合与表观不络合的现象。通常情况下, 同系序数大的化合物呈现表观不络合;有时, 同系序数大和小的化合物, 即同系物的两头均呈现表观不络合现象, 对此种现象用给、受体间前线分子轨道能级关系进行了讨论。