层状横观各向同性地基上异性矩形薄板的弯曲解析解

选用更具广泛性的层状横观各向同性弹性地基模型,来分析四边自由各向异性矩形地基板的弯曲解析解。先基于直角坐标下横观各向同性体的静力胡海昌通解,借助双重傅里叶变换及矩阵传递法,获得层状横观各向同性地基的静力位移场和应力场;然后将异性薄板的弯曲控制方程,与基于层状横观各向同性弹性地基的位移解建立的板与地基变形协调方程相结合,先按对称性分解,再用三角级数法,得出层状横观各向同性弹性地基上四边自由各向异性矩形薄板的弯曲解析解,包括地基反力、板的挠度及板的内力的解析表达式。克服了数值法的弊端,取消了对地基反力的假设,且避免了矩阵指数函数的计算;同时考虑了地基的层状性及板和地基的各向异性,从而得到板的内力及地基反力更切实际的分布规律。算例结果与文献的有限元结果吻合良好,证明本文方法是切实可行的。     

层状横观各向同性地基上异性矩形薄板的弯曲解析解

选用更具广泛性的层状横观各向同性弹性地基模型,来分析四边自由各向异性矩形地基板的弯曲解析解。先基于直角坐标下横观各向同性体的静力胡海昌通解,借助双重傅里叶变换及矩阵传递法,获得层状横观各向同性地基的静力位移场和应力场;然后将异性薄板的弯曲控制方程,与基于层状横观各向同性弹性地基的位移解建立的板与地基变形协调方程相结合,先按对称性分解,再用三角级数法,得出层状横观各向同性弹性地基上四边自由各向异性矩形薄板的弯曲解析解,包括地基反力、板的挠度及板的内力的解析表达式。克服了数值法的弊端,取消了对地基反力的假设,且避免了矩阵指数函数的计算;同时考虑了地基的层状性及板和地基的各向异性,从而得到板的内力及地基反力更切实际的分布规律。算例结果与文献的有限元结果吻合良好,证明本文方法是切实可行的。     

八种黄酮类天然产物对高危型HPV16/18 E6蛋白的分子对接研究

宫颈癌以其高发病率和高死亡率严重危害女性健康,传统治疗手段有效率低且治疗过程给患者带来极大痛苦。近年来,许多天然植物来源化合物已被确定为治疗和预防宫颈癌的有希望的药物来源,但天然产物治疗癌症的具体作用机制尚未明确。因此,本文选取了8种黄酮类天然小分子抑制剂,分别与高危型HPV16/18 E6蛋白重要位点LxxLL疏水口袋进行分子对接研究,以期探索天然产物抗宫颈癌的作用机制。对接分析显示,这些天然产物均与HPV18E6蛋白LxxLL疏水口袋产生较强相互作用,与HPV16 E6蛋白对接时,木犀草素则比其他7种黄酮类化合物结合得更为深入,这些相互作用可能有助于p53功能的恢复。对接分析有助于理解蛋白质-配体相互作用的分子机制,为设计治疗HPV感染的新药提供依据。     

Molecular dynamics simulation of the response of bi-disperse polyelectrolyte brushes to external electric fields

Langevin dynamics simulations have been performed to investigate the response of bi-disperse and strong polyacid chains grafted on an electrode to electric fields generated by opposite surface charges on the polyelectrolyte(PE)-grafted electrode and a second parallel electrode. Simulation results clearly show that, under a negative external electric field, the longer grafted PE chains are more strongly stretched than the shorter ones in terms of the relative change in their respective brush heights. Whereas under a positive external electric field, the grafted shorter chains collapse more significantly than the longer ones. It was found that, under a positive external electric field, the magnitude of the total electric force acting on one shorter PE chain is larger than that on one longer PE chain, or vice versa. The effects of smeared and discrete charge distributions of grafted PE chains on the response of PE brushes to external electric fields were also examined.