共查询到16条相似文献,搜索用时 125 毫秒
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免疫-遗传算法用于混合物重叠核磁共振信号解析 总被引:5,自引:0,他引:5
通过对免疫系统中抗体对外来抗原的识别、消除等过程的模拟,建立了一种新型的免疫算法模型.将标样信号作为抗体,混合物重叠信号作为抗原输入免疫算法模型,通过迭代运算,从抗原中消除抗体所表示的信息,当抗原被抗体完全消除时,即实现了混合物重叠信号的解析.对多组分混合氨基酸NMR谱图的解析结果证明,该算法可方便地用于多组分重叠信号的解析,为利用数据库解析混合物或生物大分子等物质的复杂NMR谱图开辟了一条全新的途径. 相似文献
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小波包分析用于重叠分析化学信号的处理 总被引:9,自引:1,他引:8
对小波包分析的算法进行了改进,并将此算法成功地应用于多组分重叠色谱信号的解析.结果表明,本文提出的算法解决了MRSD算法的不足,更适合处理分析化学信号,用于重叠信号的解析时不需重构(逆变换),简化了数据处理步骤,加快了数据解析速度,具有较强的解析能力.对于重叠色谱信号的解析,小波包分析比小波分析具有更强的解析能力. 相似文献
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化学计量学算法为重叠GC-MS信号解析提供了有效手段. 免疫算法(IAs)可根据标准样品的信号(色谱或质谱)对重叠GC-MS信号进行解析并得到重叠信号中各组分的信息. 但是标样信号与实际测量信号之间的差别会造成解析结果出现偏差. 针对标样信号与测量信号不一致的问题, 作者提出了一种交替迭代算法用于重叠GC-MS测量信号的直接解析. 该方法在不提供标样信号的情况下可以解析出组分的质谱和色谱信息. 计算过程中, 采用随机产生的质谱作为初始输入, 利用最小二乘和IA算法交替计算质谱和色谱, 直到满足终止条件. 采用所建立的方法对40种组分的农药混合物进行了分析, 使用快速升温程序在10 min保留时间内得到了全部组分的色谱和质谱信息. 相似文献
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免疫算法用于多组分二维色谱数据的解析 总被引:4,自引:0,他引:4
通过对免疫系统抗体对抗原消除作用及其记忆功能的模拟,提出了解析二维数据矩阵的新方法。采用模拟的EMG公式作为抗体输入,对二维信号逐行进行迭代消除,从重叠峰中提取单一组分的色谱信息和光谱信息。通过对二维色谱数据的解析,结果表明,该方法可方便地用于多组分重叠二维色谱的解析。 相似文献
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将分形理论用于仪器分析信号的解析,提出一种面向分析谱图中重叠信号处理的分形分辨算法.通过对信号进行分形分析,采用分形维数可有效地反映信号的特征,准确地得到谱峰个数和位置的信息,避免人为判断的误差,实现重叠复合信号的分辨.实验表明,这种新的重叠谱峰分辨法能用于光谱、电化学、色谱等仪器分析数据的处理 相似文献
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化学计量学算法为重叠气相色谱-质谱(GC-MS)信号的解析提供了有效手段,但其在计算过程中一般需要将数据进行分段处理,然后只对信号的某些区间进行解析,难以实现真正意义上的高通量分析。该文结合移动窗口目标转换因子分析(MWTTFA)和非负免疫算法(NNIA),建立了一种高通量解析方法。首先,根据所有可能存在的目标组分的标准质谱信息,利用MWTTFA检验复杂信号中存在的组分,并确定目标组分的质谱信息和洗脱时间区域。以得到的质谱信息作为后续计算的输入值,利用NNIA解析得到相应的色谱信息。采用快速升温程序对17种和42种农药混合标准样品的GC-MS信号进行分析,利用所建立的方法可在10 min内得到全部组分的色谱和质谱信息。 相似文献
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A novel immune algorithm for resolution and quantitative determination of the components in overlapping chromatograms was proposed by imitating biological immune systems. The algorithm takes an overlapping chromatogram as its input and subtracts the chromatograms of standard samples from the input by iteration of a network. When the residual does not change, the network will converge and chromatographic information of the components in overlapping chromatogram will be obtained. Both simulated and experimental data sets were investigated by the method. Results showed that both resolved results and recoveries of quantitative determination are satisfactory. Comparing with conventional least-square method, the immune algorithm is fast in calculation. 相似文献
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A novel immune algorithm for resolution and quantitative determination of the components in overlapping chromatograms was proposed by imitating biological immune systems. The algorithm takes an overlapping chromatogram as its input and subtracts the chromatograms of standard samples from the input by iteration of a network. When the residual does not change, the network will converge and chromatographic information of the components in overlapping chromatogram will be obtained. Both simulated and experimental data sets were investigated by the method. Results showed that both resolved results and recoveries of quantitative determination are satisfactory. Comparing with conventional least-square method, the immune algorithm is fast in calculation. 相似文献
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《Analytical letters》2012,45(2):373-390
ABSTRACT A genetic algorithm for resolution of overlapping chromatographic peaks (GAROCP) using real-number coding, non-uniform mutation and arithmetical crossover methods is described in this paper. It was applied to resolution of highly overlapped multicomponent high-performance liquid chromatographic peaks by fitting experimental chromatogram to the exponentially modified Gaussian (EMG) model. The genetic algorithm was used to find the minimum of fitting error to optimize the parameters in the EMG functions which determine the shape and area of each peak. The applicability of the method was investigated with both simulated signals calculated by EMG functions and experimental multicomponent overlapping chromatograms. 相似文献
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一种基于免疫算法的新型因子分析算法 总被引:3,自引:0,他引:3
基于免疫算法的基本思想,提出了新的免疫主成分分析法(IPCA),该方法将免疫算法中抗体对抗原的消除运算应用于二维数据矩阵的正交分解,可得到矩阵的特征值和特征向量.结果表明,IPCA与传统的主成分分析法比较,对HPLC-DAD模拟信号的计算结果基本一致.对HPLC-DAD实验信号的解析结果表明,将IPCA与窗口因子分析技术结合比传统的WFA具有更强的解析能力. 相似文献
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小波变换用于重叠色谱峰组分信息的提取 总被引:12,自引:2,他引:12
提出了一个小波变换用于提取重叠色谱中组分信息的理论公式,并将它应用于三组分和五组分重叠色谱实验数据的解析。结果表明:在定定分离度范围内,当相邻色谱峰峰宽相近时,根据此公式的计算结果,可以将各组分的信息从重叠色谱峰信号中提取出来。洒工作对小波变换用于重叠峰的解析具有重要意义。 相似文献
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Shao X Yu Z Sun L 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2003,59(5):1075-1082
A novel algorithm for fast resolution of multicomponent overlapping nuclear magnetic resonance (NMR) spectrum using the wavelet compression and the immune algorithm (IA) is proposed. Taking advantage of the linear property of the wavelet transform (WT), the overlapping NMR spectrum (antigen) can be compressed by WT before it is input into the immune network, the antibodies are also compressed to the same scheme. After extraction of the compressed information of each component, the resolved NMR spectra can be restored by the WT reconstruction. It was proven that the result is almost the same with the result from an IA, but the calculation speed is much faster. 相似文献