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71.
Simultaneous measurement of glucose and glutamine in aqueous solutions by near infrared spectroscopy 总被引:1,自引:0,他引:1
Hoeil Chung Mark A. Arnold Martin Rhiel David W. Murhammer 《Applied biochemistry and biotechnology》1995,50(2):109-125
A method is described for measuring the concentrations of both glucose and glutamine in binary mixtures from near infrared
(NIR) absorption spectra. Spectra are collected over the range from 5000–4000/cm (2.0–2.5μm) with a 1-mm optical path length.
Glucose absorbance features at 4710, 4400, and 4300/cm and glutamine features at 4700, 4580, and 4390/cm provide the analytical
information required for the measurement. Multivariate calibration models are generated by using partial least squares (PLS)
regression alone and PLS regression combined with a preprocessing digital Fourier filtering step. The ideal number of PLS
factors and spectral range are identified separately for each analyte. In addition, the optimum Fourier filter parameters
are established for both compounds. The best overall analytical performance is obtained by combining Fourier filtering and
PLS regression. Glucose measurements are established over the concentration range from 1.66–59.91 mM, with a standard error of prediction (SEP) of 0.32 mM and a mean percent error of 1.84%. Glutamine can be measured over the
concentration range from 1.10–30.65 mM with a SEP of 0.75 mM and a mean percent error of 6.67%. These results demonstrate
the analytical utility of NIR spectroscopy for monitoring glucose and glutamine levels in mammalian and insect cell cultures. 相似文献
72.
B. B. Damaskin 《Russian Journal of Electrochemistry》2006,42(9):990-994
Based on the results of the regression analysis of differential capacitance curves of a mercury electrode in solutions of cyclobutane carboxylic acid (CBCA) at 25, 50, and 75°C, the adsorption parameters that enter into both the Frumkin isotherm and the model of two parallel capacitors are estimated. The free energies of adsorption found from the analysis of the temperature dependence of these parameters are incorrect due to the partial blowing out of CBCA during the deaeration of the solutions. The corresponding adsorption parameters are corrected under the assumption that the hydrophobic effect associated with the increase in the liquid-water entropy at the removal from it of CBCA molecules is the same as for n-valeric acid. The physical meaning of the squeezing-out effect is revised. 相似文献
73.
一个多元校正的稳健诊断新方法 总被引:1,自引:0,他引:1
提出一种新的稳健诊断方法,与最小二乘估计结合进行混合物光谱中非线性点的诊断。文中探讨了该方法的性能,用计算机数字模拟及实际多组分光谱体系夺其进行检验,展示了此诊断方法在分析化学计量学中实际应用的可行性。 相似文献
74.
传统的面向支持向量回归的一次性建模算法中样本增加时,均需从头开始学习,而增量式算法可以充分利用上一阶段的学习成果。SVR的增量算法通常基于ε-不敏感损失函数,该损失函数对大的异常值比较敏感,而Huber损失函数对异常值敏感度低。所以在有噪声的情况下,Huber损失函数是比ε-不敏感损失函数更好的选择,在现实情况当中。基于此,本文提出了一种基于Huber损失函数的增量式Huber-SVR算法,该算法能够持续地将新样本信息集成到已经构建好的模型中,而不是重新建模。与增量式ε-SVR算法和增量式RBF算法相比,在对真实数据进行预测建模时,增量式Huber-SVR算法具有更高的预测精度。 相似文献
75.
The computation ofL
1 smoothing splines on large data sets is often desirable, but computationally infeasible. A locally weighted, LAD smoothing spline based smoother is suggested, and preliminary results will be discussed. Specifically, one can seek smoothing splines in the spacesW
m
(D), with [0, 1]
n
D. We assume data of the formy
i
=f(t
i
)+
i
,i=1,..., N with {t
i
}
i=1
N
D, the
i
are errors withE(
i
)=0, andf is assumed to be inW
m
. An LAD smoothing spline is the solution,s
, of the following optimization problem
相似文献
76.
We propose an algorithm for the computation ofL
1 (LAD) smoothing splines in the spacesW
M
(D), with
. We assume one is given data of the formy
i
=(f(t
i
) +
i
, i=1,...,N with {itti}
i=1
N D
, the
i
are errors withE(
i
)=0, andf is assumed to be inW
M
. The LAD smoothing spline, for fixed smoothing parameter0, is defined as the solution,s
, of the optimization problem
(1/N)
i=1
N
¦y
i
–g(t
i
¦+J
M
(g), whereJ
M
(g) is the seminorm consisting of the sum of the squaredL
2 norms of theMth partial derivatives ofg. Such an LAD smoothing spline,s
, would be expected to give robust smoothed estimates off in situations where the
i
are from a distribution with heavy tails. The solution to such a problem is a thin plate spline of known form. An algorithm for computings
is given which is based on considering a sequence of quadratic programming problems whose structure is guided by the optimality conditions for the above convex minimization problem, and which are solved readily, if a good initial point is available. The data driven selection of the smoothing parameter is achieved by minimizing aCV() score of the form
.The combined LAD-CV smoothing spline algorithm is a continuation scheme in 0 taken on the above SQPs parametrized in, with the optimal smoothing parameter taken to be that value of at which theCV() score first begins to increase. The feasibility of constructing the LAD-CV smoothing spline is illustrated by an application to a problem in environment data interpretation. 相似文献
77.
78.
79.
稳定回归法用于复方氯丙嗪片的测定 总被引:1,自引:1,他引:1
本文应用稳定回归法用于紫外重叠光谱的分析。以复方氯丙嗪为例,不经分离,测定了盐酸氯丙嗪和盐酸异丙嗪的含量。与最小二乘回归法比较,提高了测定结果的准确度和精密度。结果满意。 相似文献
80.
由完全非线性函数经变换得到自函数递推方程.根据回归分析理论,建立了一种化学反应动力学研究法──自函数回归法.应用该法在25℃水溶液中研究了乙酸乙酯和了酸乙酯的皂化反应的动力学常数. 相似文献
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