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Monte Carlo simulation for an assessment of standard validity and quantitative X-ray microanalysis in plants

机译:蒙特卡罗仿真评估植物中标准有效性和定量X射线微分析的评估

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Protein matrices with known concentration of elements are used as standards in X-ray microanalysis of biological materials. The aim of the study was to assess if protein standards (gelatine) could be applied for quantitative X-ray microanalysis of carbohydrate material (cellulose) of plant cell walls by means of Monte Carlo simulations. Plant roots grown in ~(133)Cs contaminated soil and gelatine with known elemental concentration were prepared according to freeze-drying protocols. The atomic fractions of gelatine and cellulose were used to simulate spectra and than compared to experimental ones. There was a good agreement in bremsstrahlung generation between gelatine and cellulose matrices. The experimental and simulated spectra of gelatine revealed a difference in background shape at low energies but corrected if specimen was tilted to -10° or the matrix density increased to 0.95 g/cm~3. Minimum detection limit (MDL) simulated for ~(133)Cs La in cellulose was also in agreement with that experimentally calculated for gelatine standard. Protein standard resembles carbohydrate materials and can be used for quantitative analysis of plant cell walls. However, using Monte Carlo simulations to predict analytical conditions for biological materials and elemental MDL, differences in topography and/or gelatine densities should be taken into consideration.
机译:具有已知浓度元素浓度的蛋白质基质用作生物材料的X射线微基分析中的标准。该研究的目的是评估蛋白质标准(明胶)是否可以通过蒙特卡罗模拟应用植物细胞壁的碳水化合物材料(纤维素)的定量X射线微分析。根据冷冻干燥方案,制备在〜(133)CS污染土壤和具有已知元素浓度的植物根部的植物根部。使用明胶和纤维素的原子级分用于模拟光谱,而不是与实验性相比模拟。在明胶和纤维素基质之间的Bremsstrahlung生成良好。明胶的实验性和模拟光谱在低能量下显示背景形状的差异,但如果样品倾斜至-10°或基质密度增加至0.95g / cm〜3,则校正。纤维素中模拟〜(133)CSLa的最小检测限(MDL)也与用于明胶标准的实验计算。蛋白质标准类似于碳水化合物材料,可用于植物细胞壁的定量分析。然而,使用蒙特卡罗模拟来预测生物材料和元素MDL的​​分析条件,应考虑地形和/或外形密度的差异。

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