| 論文名 |
EPR spin Hamiltonian parameters of encapsulated spin-labels: impact of the hydrogen bonding topology. |
| 著者 |
Bogdan Frecus
Zilvinas Rinkevicius
N Arul Murugan
Olav Vahtras
Jacob Kongsted
Hans ?gren
|
| キーワード |
|
| 出版年月 |
1970年1月 |
| 発表先 |
Phys Chem Chem Phys. 2013 Feb 21;15(7):2427-34. |
| WEBサイト |
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| 論文概要（和文） |
カプセル化されたスピンラベルのEPRスピンハミルトニアンパラメーター：水素結合トポロジーの影響。 |
| 論文概要（英文） |
Encapsulation of spin-labels into "host" compounds, like cucurbit[n]urils or cyclodextrins, in solutions has profound effects on the EPR spin Hamiltonian parameters of the spin-labels. In this work we study the microscopic origin of the EPR spin Hamiltonian parameters of spin-labels enclosed in hydrophobic cavities. We focus on the dependence of the EPR properties of encapsulated spin-labels on the hydrogen bonding topologies that occur upon encapsulation, and quantize various contributions to these parameters according to specific hydrogen bonding patterns. The obtained results provide refined insight into the role of the hydrogen bonding induced encapsulation shifts of EPR spin Hamiltonian parameters in solvated "spin-label@host compound" complexes. |
