Biomolecular ligands screening using radiation damping difference WaterLOGSY spectroscopy
Biomolecular ligands screening using radiation damping difference WaterLOGSY spectroscopy
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利用辐射阻尼差 WaterLOGSY 光谱法筛选生物分子配体
DOI：
10.1007/s10858-013-9748-4
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发表时间：
2013-06
影响因子：
2.7
通讯作者：
Liu, Maili
中科院分区：
文献类型：
--
作者：
Sun, Peng;Jiang, Xianwang;Jiang, Bin;Zhang, Xu;Liu, Maili
通过梯度光谱观察水配体（WaterLOGSY）是一种广泛使用的配体筛选核磁共振方法。 WaterLOGSY 有效性的关键过程是选择性激发水共振。选择性激励传统上是通过使用长选择性脉冲来实现的，这会导致水磁化强度部分饱和，导致灵敏度降低，而且耗时且容易出错。因此，人们进行了许多改进以提高该方法的灵敏度和鲁棒性。在这里，我们提出了一种利用辐射阻尼效应的 WaterLOGSY 选择性激励方案。脉冲方案简单地从硬反转脉冲开始，而不是选择性脉冲或脉冲序列，然后是脉冲场梯度来控制辐射阻尼效应。脉冲方案的其余部分与传统的 WaterLOGSY 类似。当在反转脉冲之后立即施加梯度脉冲时，辐射阻尼效应被抑制，并且所有磁化被反转。当梯度脉冲和反转脉冲相距约 10–20 ms 时，辐射阻尼效应保持活跃并驱动水磁化强度向 +z 轴方向移动，从而导致水磁化强度选择性不反转。通过比较这两种条件下获得的光谱的差异，就可以得到 WaterLOGSY 的结果。该方法被证明对于配体筛选来说简单、稳健且灵敏。
Water-ligand observed via gradient spectroscopy (WaterLOGSY) is a widely used nuclear magnetic resonance method for ligand screening. The crucial procedure for the effectiveness of WaterLOGSY is selective excitation of the water resonance. The selective excitation is conventionally achieved by using long selective pulse, which causes partial saturation of the water magnetization leading to reduction of sensitivity, in addition to time consuming and error prone. Therefore, many improvements have been made to enhance the sensitivity and robustness of the method. Here we propose an alternative selective excitation scheme for WaterLOGSY by utilizing radiation damping effect. The pulse scheme starts simply with a hard inversion pulse, instead of selective pulse or pulse train, followed by a pulse field gradient to control the radiation damping effect. The rest parts of the pulse scheme are similar to conventional WaterLOGSY. When the gradient pulse is applied immediately after the inversion pulse, the radiation damping effect is suppressed, and all of the magnetization is inversed. When the gradient pulse and the inversion pulse are about 10–20 ms apart, the radiation damping effect remains active and drives the water magnetization toward +z-axis, resulting in selective non-inversion of the water magnetization. By taking the differences of the spectra obtained under these two conditions, one should get the result of WaterLOGSY. The method is demonstrated to be simple, robust and sensitive for ligand screening.
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影响因子：
2
作者：
Youlin Xia;Qi Zhu;Kyu‐Yeon Jun;Jingchun Wang;Xiaolian Gao
通讯作者：
Youlin Xia;Qi Zhu;Kyu‐Yeon Jun;Jingchun Wang;Xiaolian Gao
影响因子：
3.4
作者：
Guoyun Bai;Yanfang Cui;Yunhuang Yang;C. Ye;Maili Liu
通讯作者：
Guoyun Bai;Yanfang Cui;Yunhuang Yang;C. Ye;Maili Liu
影响因子：
2.7
作者：
Dalvit, C;Fogliatto, G;Stockman, B
通讯作者：
Stockman, B
影响因子：
2
作者：
Furihata, Kazuo;Shimotakahara, Sakurako;Tashiro, Mitsuru
通讯作者：
Tashiro, Mitsuru
影响因子：
1.7
作者：
崔晓红;彭凌;张振敏;蔡淑惠;陈忠
通讯作者：
崔晓红;彭凌;张振敏;蔡淑惠;陈忠