A data analysis algorithm for programmed field-flow fractionation.
A data analysis algorithm for programmed field-flow fractionation.
复制标题
用于编程场流分级的数据分析算法。
DOI：
10.1021/ac010305b
复制
发表时间：
2001
影响因子：
7.4
通讯作者：
Giddings,JC
中科院分区：
文献类型：
--
作者：
Williams,PS;Giddings,MC;Giddings,JC
提出了一种采用数值积分来分析场流分级（FFF）数据的算法。该算法利用在样品洗脱期间以离散时间间隔监测的检测器响应、场强和通道流速数据，根据颗粒大小或分子量生成样品成分的分布。场强和通道流速可以保持恒定或编程为时间的函数，并且这些程序不必遵循特定的数学函数。如果在运行过程中监测实验条件，算法可以解释与标称设定条件的任何偏差。该算法还允许计算运行期间监测的实际条件的分级功率。该方法极大地提高了 FFF 系列技术应用的灵活性。它消除了因坚持 FFF 理论的分析可用解决方案而产生的实验条件限制，允许根据需要临时改变场强和其他实验参数，以提高方法的灵敏度和特异性。描述了独立于 FFF 技术（即独立于字段类型）和操作模式的算法的实现。为了减少计算时间，它使用数学技术来减少所需的数值积分数量。当理想 FFF 理论的扰动（例如由于流体动力升力、粒子-壁或粒子-粒子相互作用以及二次弛豫的影响而产生的扰动）需要相对冗长的数值计算时，这一点尤其重要。
An algorithm that employs numerical integration for analysis of field-flow fractionation (FFF) data is presented. The algorithm utilizes detector response, field strength, and channel flow rate data, monitored at discrete time intervals during sample elution to generate a distribution of sample components according to particle size or molecular weight. The field strength and channel flow rate may either be held constant or programmed as functions of time, and it is not necessary for these programs to follow specific mathematical functions. If experimental conditions are monitored during a run, the algorithm can account for any deviation from nominal set conditions. The algorithm also allows calculation of fractionating power for the actual conditions as monitored during the run. The method provides greatly increased flexibility in the application of the FFF family of techniques. It removes the limitations on experimental conditions incurred by adherence to analytically available solutions to FFF theory, allowing ad hoc variation of field strength and other experimental parameters as necessary to increase sensitivity and specificity of the method. An implementation of the algorithm is described that is independent of the FFF technique (i.e., independent of field type) and mode of operation. To reduce computation time, it uses mathematical techniques to reduce the required number of numerical integrations. This is of particular importance when the perturbations to ideal FFF theory, such as those due to the effects of hydrodynamic lift forces, particle−wall or particle−particle interactions, and secondary relaxation, necessitate relatively lengthy numerical calculations.