All-atom molecular dynamic simulations and 2D-NOESY spectra were used to study the conformations and hydrogen bonds of ACE inhibitory tripeptide Ile-Ile-Pro(IIP) in aqueous and DMSO solutions. RMSD, Dis, Rg and SASA w...All-atom molecular dynamic simulations and 2D-NOESY spectra were used to study the conformations and hydrogen bonds of ACE inhibitory tripeptide Ile-Ile-Pro(IIP) in aqueous and DMSO solutions. RMSD, Dis, Rg and SASA were adopted to characterize the properties of tripeptide Ile-Ile-Pro in the MD simulations. Interestingly, the tripeptide molecule IIP exhibited different behaviors in aqueous and DMSO solutions. In aqueous solution, IIP was very flexible. The conformation could shift between extended and folded states very quickly. However,in DMSO solution, more folded conformations were observed. The interesting phenomena were proved by 2D-NOESY spectra.展开更多
本文在研究了 PAN 溶液粘度特性的基础上，研究了纺丝液粘度特性与相关组成因素间的关系，初步探讨了不同纺丝工艺在纤维表面结构形成过程中的作用。实验表明，溶液粘度随 PAN 质量分数和相对分子质量的增加而增大，温度是调控体系粘度...本文在研究了 PAN 溶液粘度特性的基础上，研究了纺丝液粘度特性与相关组成因素间的关系，初步探讨了不同纺丝工艺在纤维表面结构形成过程中的作用。实验表明，溶液粘度随 PAN 质量分数和相对分子质量的增加而增大，温度是调控体系粘度的有效方法；同时纺丝液中 PAN 质量分数的提高，有利于提高纤维的致密性并促使凝固牵伸倍数和总牵伸倍数增大。而干湿法纺丝技术在消除纤维表面沟槽方面有独特的作用。展开更多
基金Supported by the National Natural Science Foundation of China(No.20903026)the Talents Introduction Foundation for Universities of Guangdong Province(2011)Scientific Research Foundation of the Natural Science Foundation of Guangdong Province(No.S2011010002483)
文摘All-atom molecular dynamic simulations and 2D-NOESY spectra were used to study the conformations and hydrogen bonds of ACE inhibitory tripeptide Ile-Ile-Pro(IIP) in aqueous and DMSO solutions. RMSD, Dis, Rg and SASA were adopted to characterize the properties of tripeptide Ile-Ile-Pro in the MD simulations. Interestingly, the tripeptide molecule IIP exhibited different behaviors in aqueous and DMSO solutions. In aqueous solution, IIP was very flexible. The conformation could shift between extended and folded states very quickly. However,in DMSO solution, more folded conformations were observed. The interesting phenomena were proved by 2D-NOESY spectra.
文摘本文在研究了 PAN 溶液粘度特性的基础上，研究了纺丝液粘度特性与相关组成因素间的关系，初步探讨了不同纺丝工艺在纤维表面结构形成过程中的作用。实验表明，溶液粘度随 PAN 质量分数和相对分子质量的增加而增大，温度是调控体系粘度的有效方法；同时纺丝液中 PAN 质量分数的提高，有利于提高纤维的致密性并促使凝固牵伸倍数和总牵伸倍数增大。而干湿法纺丝技术在消除纤维表面沟槽方面有独特的作用。
