Distance measurements in model bis-Gd(III) complexes with flexible 'bridge'. Emulation of biological molecules having flexible structure with Gd(III) labels attached.

Potapov A.; Song Y.; Meade T.J.; Goldfarb D.; Astashkin A.V.; Raitsimring A.

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Distance measurements in model bis-Gd(III) complexes with flexible 'bridge'. Emulation of biological molecules having flexible structure with Gd(III) labels attached.

机译：具有柔性“桥”的模型bis-Gd（III）配合物中的距离测量。模拟具有柔性结构并附有Gd（III）标签的生物分子。

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In this work, we continue to explore Gd(III) as a possible spin label for high-field Double Electron-Electron Resonance (DEER) based distance measurements in biological molecules with flexible geometry. For this purpose, a bis-Gd(III) complex with a flexible "bridge" was used as a model. The distances in the model were expected to be distributed in the range of 5-26 A, allowing us to probe the shortest limits of accessible distances which were found to be as small as 13 A. The upper distance limit for these labels was also evaluated and was found to be about 60 A. Various pulse duration setups can result in apparent differences in the distribution function derived from DEER kinetics due to short distance limit variations. The advantages, such as the ability to perform measurements at cryogenic temperatures and high repetition rates simultaneously, the use of very short pumping and observation pulses without mutual interference, the lack of orientational selectivity, as well as the shortcomings, such as the limited mw operational frequency range and intrinsically smaller amplitude of oscillation related to dipolar interaction as compared with nitroxide spin labels are discussed. Most probably the use of nitroxide and Gd-based labels for distance measurements will be complementary depending on the particulars of the problem and the availability of instrumentation.

机译：在这项工作中，我们将继续探索Gd（III）作为可能的自旋标记，用于在具有灵活几何形状的生物分子中进行基于高场双电子-电子共振（DEER）的距离测量。为此，使用具有柔性“桥”的bis-Gd（III）配合物作为模型。预计模型中的距离分布在5-26 A的范围内，这使我们能够探查可访问距离的最短限制，发现该最小距离仅为13A。还评估了这些标签的距离上限大约为60A。各种脉冲持续时间设置可能会由于短距离限制变化而导致由DEER动力学推导的分布函数出现明显差异。优点包括能够同时在低温温度和高重复频率下执行测量的能力，使用非常短的泵浦和观测脉冲而不会相互干扰，缺乏方向选择性以及缺点（例如，MW运行受限）讨论了与偶极相互作用相关的与偶极相互作用有关的频率范围和本质上较小的振荡幅度。根据问题的具体情况和仪器的可用性，最有可能使用基于氮氧化物和Gd的标记进行距离测量。

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《Journal of magnetic resonance》 |2010年第1期|共12页
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Potapov A.; Song Y.; Meade T.J.; Goldfarb D.; Astashkin A.V.; Raitsimring A.;
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1. Distance measurements in model bis-Gd(III) complexes with flexible "bridge". Emulation of biological molecules having flexible structure with Gd(III) labels attached. [J] . Potapov A., Song Y., Meade T.J., Journal of magnetic resonance . 2010,第1期

机译：具有柔性“桥”的模型bis-Gd（III）配合物中的距离测量。模拟具有柔性结构并附有Gd（III）标签的生物分子。
2. Supramolecular coordination polymers of La(III), Ce(III), Sm(III), Gd(III) and Eu(III) decorated with rigid 5-hydroxy-1,3-benzenedicarboxylate and flexible hexane-1,6-dicarboxylate linkers: Syntheses, structures, DFT study, luminescence and magnetic properties [J] . Kariem Mukaddus, Yawer Mohd, Kumar Manesh, Polyhedron: The International Journal for Inorganic and Organometallic Chemistry . 2017,第期

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5. Biomimetic models of intradiol catechol dioxygenases: Structures and properties of inclusion complexes of iron(III) centered metal complexes with beta-cyclodextrin derivatives. [D] . Park, Heaweon. 2008

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6. Distance measurements in model Bis-Gd(III) complexes with flexible bridge. Emulation of biological molecules having flexible structure with Gd(III) labels attached [O] . A. Potapov, Y. Song, T. J. Meade, -1

机译：BIS-GD（III）复合物模型中的距离测量柔性桥。附着具有Gd（III）标记的柔性结构的生物分子仿真
7. Distance measurements in model bis-Gd(III) complexes with flexible “bridge”. Emulation of biological molecules having flexible structure with Gd(III) labels attached [O] . A. Potapov, Y. Song, T.J. Meade, 2010

机译：BIS-GD（III）复合物模型中的距离测量柔性“桥”。附着具有Gd（III）标记的柔性结构的生物分子仿真

Distance measurements in model bis-Gd(III) complexes with flexible 'bridge'. Emulation of biological molecules having flexible structure with Gd(III) labels attached.

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