论文标题
GD（III）-GD（III）Ridme中的泛音系数的准确定义如何？
How accurately defined are the overtone coefficients in the Gd(III)-Gd(III) RIDME?
论文作者
论文摘要
松弛引起的偶极调制增强（RIDME）是一种脉冲EPR技术，特别适合确定具有广泛EPR光谱的顺磁中心之间的距离，例如金属离子基。就高速旋转系统（S> 1/2）而言，RIDME实验不仅提供了基本的偶性频率，还提供其泛音，这使闪烁的距离的测定变得复杂。提出了一种基于R.M.S.的基于R.M.D.的方法，用于对一系列用GD（III）-Pymta标签标记的一系列分子统治者进行校正系数的校准。构造的2D总绘制图清楚地表明，没有独特的集合，而是一定的泛音系数池，可用于从Ridme实验确定的高旋转顺磁中心之间提取距离分布。
Relaxation-induced dipolar modulation enhancement (RIDME) is a pulse EPR technique that is particularly suitable to determine distances between paramagnetic centers with a broad EPR spectrum, e.g. metal-ion-based ones. As far as high-spin systems (S > 1/2) are concerned, the RIDME experiment provides not only the basic dipolar frequency but also its overtones, which complicates the determination of interspin distances. An r.m.s.d.-based approach for the calibration of the overtone coefficients is proposed and illustrated for a series of molecular rulers doubly labelled with Gd(III)-PyMTA tags. The constructed 2D total-penalty diagrams clearly show that there is no unique set but rather a certain pool of overtone coefficients, which can be used to extract distance distributions between high-spin paramagnetic centers as determined from the RIDME experiment.
