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Developments and applications of polarization transfer solid state NMR for obtaining structural information

获取结构信息的偏振转移固态核磁共振的发展和应用

基本信息

批准号：
10440171
负责人：
TERAO Takehiko
金额：
$ 8.51万
依托单位：
KYOTO UNIVERSITY
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B)
财政年份：
1998
资助国家：
日本
起止时间：
1998 至 1999
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-10440171/
关键词：
solid state NMR R2TR method SASS method structural analysis glycylisoleucine 9-methylanthracene solid state photodimerization polarization transfer 構造決定 R2TR法

项目摘要

The purposes of this research based on polarization transfer phenomena are developments and applications of structure determinations of a uniformly labeled molecule in a powder sample (A) and determination of relative positions of selectively labeled molecules.(A)"1D exchange deuteron sample-tuning NMR" (J.Magn.Reson., 1999), "ィイD113ィエD1C-ィイD113ィエD1C polarization transfer by resonant interference recoupling" (Solid State Nucl. Magn. Reson. 1999, Chem. Phys. Lett., 1999), and "3D structure determination of a molecule by R2TR" (J.Am.Chem.Soc., 1999) were developed. The 3D structure of uniformly ィイD113ィエD1C, ィイD115ィエD1N-labeled glycylisolecine was determined by applying the last technique. This is the first determination of a complete molecular structure by solid state NMR.(B)The locus of the photodimerization reaction of 9-methylanthracene in the crystal was examined via the polarization transfer between the dimers, and the reaction was concluded to occur at defects of the crystal (Solid State Nucl.Magn.Reson., 1998). The optical resolution mechanism in the cholic-acid/γ-valerolactone (VAL) inclusion compound was examined via the intermolecular polarization transfer, and the arrangements of Sand Renantiomers ware shown to follow the Marcov process.

本研究的目的是基于偏振转移现象的粉末样品（A）中均匀标记分子的结构测定和选择性标记分子的相对位置测定的发展和应用。(A)“1D交换氘样品调谐NMR”（J.Magn.Reson.，1999）、“通过共振干涉重新耦合的D113偏振D1C-D113偏振D1C偏振转移”（固态核，磁共振。1999，Chem. Phys. Lett.，1999）和“3D structuredetermination of a molecule by R2TR”（J.Am.Chem.Soc.，1999年）开发。通过应用最后的技术确定了均匀地标记的D113标记的D1C、D115标记的D1 N标记的甘氨酰溶血素的3D结构。这是第一次通过固态NMR确定完整的分子结构。（B）通过二聚体之间的偏振转移检查晶体中9-甲基蒽的光二聚反应的轨迹，并且推断该反应发生在晶体的缺陷处（Solid State Nucl.Magn.Reson.，1998年）。通过分子间极化转移研究了胆酸/γ-戊内酯（瓦尔）包合物的光学拆分机理，发现包合物中的SandRenantiomers的排列遵循Marcov过程。