• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Local Structure of Phosphate/Amine Polyion Complexes in Phospholipid/Polypeptide Mixtures by Solid State NMR and ab Initio Chemical Shielding Calculation
【24h】

Local Structure of Phosphate/Amine Polyion Complexes in Phospholipid/Polypeptide Mixtures by Solid State NMR and ab Initio Chemical Shielding Calculation

机译：固态NMR和从头算化学屏蔽计算磷脂/多肽混合物中磷酸盐/胺多离子配合物的局部结构。

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Local structure of phospholipid/amine polyion complexes in lyophilized powders of dipalmitoylphosphatidic acid(DPPA)/poly-L-lysine(pLYS) and DPPA/poly-L-arginine(pARG) is investigated by solid-state nuclear magnetic resonance spectroscopy. The intermolecular interactions in the polyion complexes were detected by ~(31)P-~1H heteronuclear shift correlation (HETCOR). The complete information about the ~(31)P chemical shift tensor (CST), principal values of CST and the mutual orientation of CST with respect to a molecular fixed frame, for methylguanidinium dihydrogenorthophosphate (MGD/H_2PO_4), which is thought of as a model compound for DPPA/pARG, was determined by both cross-polarization and magic-angle sample spinning (CPMAS) and spin-echo separated field (SLF) measurements under the magic-angle sample spinning (MAS). From the ab initio ~(31)P chemical shielding calculation, the behavior of the principal components of ~(31)P chemical shield tensor in the phosphate group in DPPA is found to be dominated by a change in the electronic state in association with phosphate/amine complexation, rather than by a change in a bond angle of nonprotonated ∠O~(3)-P-O~(4) which was previously deduced in several phosphate compounds.
机译：通过固态核磁共振波谱研究了二棕榈酰磷脂酸（DPPA）/聚-L-赖氨酸（pLYS）和DPPA /聚-L-精氨酸（pARG）的冻干粉中磷脂/胺聚离子复合物的局部结构。通过〜（31）P-〜1H异核位移相关性（HETCOR）检测了聚离子复合物中的分子间相互作用。关于〜（31）P化学位移张量（CST），CST主值以及CST相对于分子固定框架的相互取向的完整信息，对于甲基胍基二氢正磷酸正磷酸酯（MG​​D / H_2PO_4），被认为是通过交叉极化和魔角样品旋转（CPMAS）以及在魔角样品旋转（MAS）下的自旋回波分离场（SLF）测量来确定DPPA / pARG的模型化合物。通过从头计算〜（31）P化学屏蔽张量，发现DPPA中磷酸盐基团中〜（31）P化学屏蔽张量的主要成分的行为受与磷酸盐相关的电子态变化的支配/胺络合，而不是通过非质子化的∠O〜（3）-PO〜（4）的键角变化来改变，该键以前是在几种磷酸盐化合物中推导的。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号