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Technical note: Temperature and concentration dependence of water diffusion in polyvinylpyrrolidone solutions

机译:技术资料:聚乙烯吡咯烷酮溶液中水扩散的温度和浓度依赖性

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Abstract Objective The goal of this work is to provide temperature and concentration calibration of water diffusivity in polyvinylpyrrolidone (PVP) solutions used in phantoms to assess system bias and linearity in apparent diffusion coefficient (ADC) measurements. Method ADC measurements were performed for 40 kDa (K40) PVP of six concentrations (0, 10, 20, 30, 40, and 50 by weight) at three temperatures (19.5°C, 22.5°C, and 26.4°C), with internal phantom temperature monitored by optical thermometer (±0.2°C). To achieve ADC measurement and fit accuracy of better than 0.5, three orthogonal diffusion gradients were calibrated using known water diffusivity at 0°C and system gradient nonlinearity maps. Noise‐floor fit bias was also controlled by limiting the maximum b‐value used for ADC calculation of each sample. The ADC temperature dependence was modeled by Arrhenius functions of each PVP concentration. The concentration dependence was modeled by quadratic function for ADC normalized by the theoretical water diffusion values. Calibration coefficients were obtained from linear regression model fits. Results Measured phantom ADC values increased with temperature and decreasing PVP concentration, PVP. The derived Arrhenius model parameters for PVP between 0 and 50, are reported and can be used for K40 ADC temperature calibration with absolute ADC error within ±0.016 μm2/ms. Arrhenius model fit parameters normalized to water value scaled with PVP between 10 and 40, and proportional change in activation energy increased faster than collision frequency. ADC normalization by water diffusivity, DW, from the Speedy–Angell relation accounted for the bulk of temperature dependence (±0.035 μm2/ms) and yielded quadratic calibration for ADCPVP/DW?=?(12.5 ± 0.7) ·10?5·PVP2 ? (23.2 ± 0.3)·10?3·PVP+1, nearly independent of PVP molecular weight and temperature. Conclusion The study provides ground‐truth ADC values for K40 PVP solutions commonly used in diffusion phantoms for scanning at ambient room temperature. The described procedures and the reported calibration can be used for quality control and standardization of measured ADC values of PVP at different concentrations and temperatures.
机译:摘要 目的 本工作旨在对聚乙烯吡咯烷酮(PVP)溶液中的水扩散率进行温度和浓度校准,以评估表观扩散系数(ADC)测量中的系统偏差和线性度。方法 ADC 测量 40 kDa (K40) PVP 在三种温度(19.5°C、22.5°C 和 26.4°C)下,六种浓度(0%、10%、20%、30%、40% 和 50%重量),内部体像温度计 (±0.2°C) 监测。为了实现优于0.5%的ADC测量和拟合精度,使用已知的0°C水扩散率和系统梯度非线性图校准了三个正交扩散梯度。噪声-本底拟合偏差也通过限制用于每个样本ADC计算的最大b值来控制。ADC温度依赖性由每个PVP浓度的Arrhenius函数建模。通过二次函数对ADC的浓度依赖性进行建模,该函数由理论水扩散值归一化。校准系数由线性回归模型拟合获得。结果 测量的幻象ADC值随温度升高和PVP浓度降低而增加,[PVP]。报告了 [PVP] 在 0% 和 50% 之间得出的 Arrhenius 模型参数,可用于 K40 ADC 温度校准,绝对 ADC 误差在 ±0.016 μm2/ms 范围内。Arrhenius模型拟合参数归一化为水值,比例为10%-40%,活化能的比例变化比碰撞频率增加得更快。来自Speedy-Angell关系的通过水扩散率(DW)对ADC进行归一化是温度依赖性(±0.035 μm2/ms)的主要原因,并产生了ADCPVP/DW?=?(12.5 ± 0.7) ·10?5·[PVP]2 ?(23.2 ± 0.3)·10?3·[PVP]+1,几乎与PVP分子量和温度无关。结论 该研究提供了在室温环境下扫描扩散模型中常用的K40 PVP解决方案的真值ADC值。所描述的程序和报告的校准可用于在不同浓度和温度下测量PVP的ADC值的质量控制和标准化。

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