Department of Physics and Astronomy, Georgia State University, Atlanta, GA 30303, USA.
Analyst. 2009 Jul;134(7):1462-71. doi: 10.1039/b902154j. Epub 2009 May 5.
FTIR microscopy has been used to collect spectra for uninfected (mock) Vero cells, and cells that have been infected with herpes simplex virus type 1 (HSV-1) and human adenovirus type 5 (Ad-5). Cells were infected at a multiplicity of infection of 10, and studied at 24 hours post exposure. The spectra for infected samples display many differences compared to the spectra for uninfected samples. To estimate how well the spectra for uninfected and infected samples could be discriminated, we used logistic and partial least squares regression methods. We show that the spectra for HSV-1 and mock infected samples are well differentiated and, for a sensitivity of 95%, we calculate a specificity of 0.999 using partial least squares regression. Spectra for Ad-5 and mock infected samples are also well differentiated. We find that applying our regression models constructed with one data set to a new validating data set still gives very high levels of specificity for a given sensitivity. Spectra for Ad-5 and HSV-1 infected samples are also differentiable. Applying our constructed regression models to new validating data, however, leads to a decrease in the discrimination capability in this instance. If one is simply interested in differentiating spectra associated with uninfected and infected cells, without distinguishing the type of infection, then we show that logistic regression models can break down whereas partial least squares regression models perform well.
傅里叶变换红外显微镜(FTIR microscopy)已被用于采集未感染(模拟)Vero 细胞以及感染单纯疱疹病毒 1 型(HSV-1)和人腺病毒 5 型(Ad-5)的细胞的光谱。细胞以感染复数 10 感染,并在暴露后 24 小时进行研究。与未感染样本的光谱相比,感染样本的光谱显示出许多差异。为了估计未感染和感染样本的光谱可以区分的程度,我们使用逻辑回归和偏最小二乘回归方法。我们表明,HSV-1 和模拟感染样本的光谱可以很好地区分,对于 95%的灵敏度,我们使用偏最小二乘回归计算特异性为 0.999。Ad-5 和模拟感染样本的光谱也可以很好地区分。我们发现,将我们使用一个数据集构建的回归模型应用于新的验证数据集,对于给定的灵敏度仍然可以获得非常高的特异性水平。Ad-5 和 HSV-1 感染样本的光谱也可以区分。然而,将我们构建的回归模型应用于新的验证数据会导致在这种情况下的区分能力下降。如果只是有兴趣区分与未感染和感染细胞相关的光谱,而不区分感染的类型,那么我们表明逻辑回归模型可以失效,而偏最小二乘回归模型表现良好。