کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5407358 | 1393213 | 2007 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Determination of the 19F NMR chemical shielding tensor and crystal structure of 5-fluoro-dl-tryptophan
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Determination of the 19F NMR chemical shielding tensor and crystal structure of 5-fluoro-dl-tryptophan Determination of the 19F NMR chemical shielding tensor and crystal structure of 5-fluoro-dl-tryptophan](/preview/png/5407358.png)
چکیده انگلیسی
5-Fluoro-dl-tryptophan (5F-Trp) is a very sensitive probe used to investigate orientation and dynamics of biomacromolecules at the in situ level. In order to establish a 19F NMR strategy, the crystal structure and 19F chemical shielding tensor of 5F-Trp are reported. A novel approach was developed to use F-F homonuclear dipole-dipole coupling information to analyze single-crystal NMR data without determining crystal orientations. The measured values for the principal components of the shielding tensor are Ï11Â =Â 0.9, Ï22Â =Â â63.3, and Ï33Â =Â â82.9Â ppm relative to TFA in D2O. The principal axes of the shielding tensors coincide with the indole ring symmetry, which makes it a straightforward and powerful tool to monitor protein alignment in oriented environments. Hartree-Fock (HF) and density functional theory (DFT) calculations of the chemical shielding tensors are also reported.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetic Resonance - Volume 187, Issue 1, July 2007, Pages 88-96
Journal: Journal of Magnetic Resonance - Volume 187, Issue 1, July 2007, Pages 88-96
نویسندگان
Xingang Zhao, Jeffrey S. DeVries, Robert McDonald, Brian D. Sykes,