Taylor Amanda J, Rendina Elizabeth, Smith Brenda J, Zhou Donghua H
Department of Physics, Oklahoma State University, Stillwater, OK, USA 74078.
Department of Nutritional Sciences, Oklahoma State University, Stillwater, OK, USA 74078.
Chem Phys Lett. 2013 Nov 19;588. doi: 10.1016/j.cplett.2013.09.061.
Bone minerals possess two primary hydrogen sources: hydroxide ions in the nanocrystalline core and structural water in the amorphous surface layer. In order to accurately measure their concentrations using hydrogen to phosphorus cross polarization NMR spectroscopy, it is necessary to analyze the dependence of signal intensities on serial contact times, namely, cross polarization kinetics. A reliable protocol is developed to iteratively decompose the severely overlapped spectra and to analyze the cross-polarization kinetics, leading to measurement of hydroxyl and structural water concentrations. Structural water concentration is used to estimate mineral specific surface area and nanocrystal thickness for intact bone.
纳米晶核心中的氢氧根离子和无定形表面层中的结构水。为了使用氢磷交叉极化核磁共振光谱准确测量它们的浓度，有必要分析信号强度对连续接触时间的依赖性，即交叉极化动力学。开发了一种可靠的方案，用于迭代分解严重重叠的光谱并分析交叉极化动力学，从而测量羟基和结构水的浓度。结构水浓度用于估计完整骨骼的矿物质比表面积和纳米晶体厚度。
