کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1307035 | 975119 | 2009 | 7 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Characterization of the sodium binding sites in microcrystalline ATP by 23Na-solid-state NMR and ab initio calculations Characterization of the sodium binding sites in microcrystalline ATP by 23Na-solid-state NMR and ab initio calculations](/preview/png/1307035.png)
Stepwise conformational transition of disodium adenosine 5′-triphosphate (Na2ATP) crystals as a function of relative humidity (r.H.), was examined by means of high resolution 23Na, 31P solid state NMR spectroscopy and quantum mechanics calculations. 23Na-MQMAS solid state NMR spectra of hydrated disodium salts of adenosine 5,5′-triphosphate were measured to characterize the individual sodium sites. Quadrupolar coupling constants (CQ), and the asymmetry parameters of the electric field gradient tensors (η) of sodium-23 determined by quantum mechanical calculations (gaussian03) using larger clusters than in previous studies were compared to the experimental 23Na-MQMAS spectra.
We investigated the NMR spectral parameters of sodium ions in disodium adenosine 5′-triphosphate (Na2ATP) crystals as a function of relative humidity (r.H.), by means of high resolution 23Na Solid State NMR spectroscopy and quantum mechanics calculations.Figure optionsDownload as PowerPoint slide
Journal: Inorganica Chimica Acta - Volume 362, Issue 4, 2 March 2009, Pages 1071–1077