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Chemical Exchange of Hydroxyl Protons in Quercetin Measured by Pulsed Field Gradient NMR

机译:脉冲场梯度NMR测定槲皮素中羟基质子的化学交换

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The diffusion behavior of hydroxyl protons (OH) in quercetin in 100% DMSO-d6 (deuterium dimethylsulfbxide) and a 90% DMSO-d6 solution containing 10% H2O was investigated with 600 MHz 'H pulsed field gradient (PFG) nuclear magnetic resonance (NMR) Only resonances of the 5-hydroxyl protons (OH5) were well resolved in NMR spectra of quercetin for all solutions under study This phenomenon is explained by the intramolecular hydrogen bonding between OH5 protons and the 4-carbonyl oxygen (CO4) During diffusion experiments, the OH5 protons showed a biexponential dif-fusion decay, indicating an exchange process with water As water content in the solvents increased, the lifetime (rq) of the OH5 protons decreased from 96.7+10.0 ms in 100% DMSO-d6 to 14.3±1 4 ms in the 90% DMSO-d6 solution containing 10% H2O, indicating an increase in the exchange rate (?q = l/rq) of the OH5 protons This study demonstrates that the diffusion approach with PFG-NMR is much faster and easier for estimating the short lifetime or fast exchange rate of hydroxyl protons in quercetin.
机译:通过600 MHz'H脉冲场梯度(PFG)核磁共振研究了槲皮素中羟基质子(OH)在100%DMSO-d6(二甲基亚砜)和90%DMSO-d6含10%H2O溶液中的扩散行为( NMR)在槲皮素的NMR光谱中,对于所有正在研究的溶液,只有5-羟基质子(OH5)的共振得到了很好的分辨。这种现象是由OH5质子与4-羰基氧(CO4)之间的分子内氢键解释的,OH5质子显示出双指数扩散衰减,表明与水的交换过程随着溶剂中水含量的增加,OH5质子的寿命(rq)从100%DMSO-d6中的96.7 + 10.0 ms降低到14.3±在含有10%H2O的90%DMSO-d6溶液中的1 4 ms,表明OH5质子的交换速率(Δq= l / rq)增加这项研究表明,PFG-NMR的扩散方法要快得多,并且更容易估算空头槲皮素中羟基质子的寿命或快速交换速率。

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