黑土腐殖酸的近红外光谱测定

研究了我国黑土腐殖酸碳含量及其光化学性质,并探索了利用近红外光谱分析法(near infrared spectroscopy, NIRS)对其进行预测的潜力。针对东北典型黑土带土壤样品,利用偏最小二乘法(PLSr)建立定量模型,并用独立样本对模型进行检验。结果表明,模型对腐殖酸碳、胡敏酸碳和富里酸碳含量的预测效果很好,NIRS对富里酸碳和胡敏酸碳的465 nm(E₄)和预测结果也较好,665 nm光密度(E₆)的预测达到可接受水平。胡敏酸碳和富里酸碳含量与SOC的相关性,高于其与NIRS模型预测值的相关性,二者光化学性质与SOC的相关性则低于其与模型预测值的相关性。NIRS在简化黑土腐殖酸碳、胡敏酸碳和富里酸碳含量和光密度测定领域具有很好的应用前景,且能够反映SOC性质方面的信息。     

Near-infrared spectroscopy-based methods for quantitative determination of active pharmaceutical ingredient in transdermal gel formulations

Abstract

Semi-solid pharmaceutical forms, like topical and transdermal products, are widely used for medical purposes since they provide convenient and pain-free treatment for patients. In this study, two transdermal gel formulations with different active pharmaceutical ingredients were analyzed with near-infrared spectrophotometers with three distinct optical arrangements (dispersive, Fourier transform, and diode-array spectrophotometers) for the measurement of active pharmaceutical ingredient concentration. The reference concentrations were measured with high-performance liquid chromatography methods.

The developing of calibration for reference concentrations based on near-infrared spectra was performed using partial least squares regression. The spectra from near-infrared spectrophotometer with diode-array optical arrangement presented the best root mean square error of cross-validation results with 0.045% and 0.144% for the two active pharmaceutical ingredients. The root mean square error of cross-validation using dispersive spectra were 0.125% and 0.193% and using Fourier transform spectra were 0.130% and 0.344% for the active pharmaceutical ingredients. The results of partial least squares regression were confirmed using simulated spectra based on the measured datasets.

Near-infrared spectroscopy can be used successfully for the quantitative measurement of active pharmaceutical ingredient concentration in transdermal gel formulations. The type of optical arrangements of spectrophotometers can influence the performance of calibrations and have to be optimized case by case.     

基于近红外光谱技术的人体血糖浓度无创检测系统的研制

开发了一种小型化人体血糖浓度无创检测系统,该系统可实现人体血糖浓度的快速、实时、无创检测,主要由嵌入式系统、夹具、光源系统和微型光栅光谱仪四部分组成。提出了一种光源稳压驱动电路方案,可满足多种光谱采集条件对光源的要求。同时提出了一种一体化夹具设计方案,不仅简化了系统的光学结构,而且提高了测量条件的可重复性。分别用小波去噪和核偏最小二乘法对采集的光谱数据进行预处理和数学建模,并对系统进行性能评价,血糖浓度预测值与标准值的相关系数为0.95,预测均方根误差为0.6mmol.L-1,系统的重复性较好。     

Improved frequency standard via weighted graph states

We study the spin squeezing property of weighted graph states,which can be used to improve sensitivity in interferometry.We study the time evolution of spin squeezing under local decoherence acting independently on each qubit.Based on the analysis,the spin squeezing of the weighted graph states is somehow robust in the presence of decoherence and the decoherence limit in the improvement of the interferometric sensitivity is still achievable.Furthermore,one can obtain the optimal improvement of sensitivity by tuning the weighted of each edges of the weighted graph state.     

非线性偏最小二乘导数分光光度法同时测定复方新诺明中二组分的含量

构造了导数光谱与多组分浓度间的非线性模型 ,以偏最小二乘法估计模型参数 ,建立了同时测定两组分的非线性偏最小二乘导数分光光度法 ,方法用于复方新诺明中磺胺甲唑SMZ(Sulfamethoxazole)和甲氧苄啶TMP(Trimethoprim)含量的测定 ,10份模拟样中SMZ ,TMP的回收率分别为 99 8%和 10 0 1% ,RSD分别为 1 3%和 1 6 %。结果明显好于线性偏最小二乘导数分光光度法。用该法测定复方新诺明片中的二组分含量测定结果与药典方法一致 ,该法为复方制剂的分光光度分析提供了更为理想的新途径。     

关于预测误差平方和最小准则的几点看法

在应用桃棣荣等提出的预测误差平方和（ＰＲＥＳＳ）最小准则逐步算法的过程中，发现单纯应用ＰＲＥＳＳ值来控制引进因子数目有时不很有效。因此建议：１）当引进因子过多时，采用赤池信息准则对因子数做进一步控制。２）当引进因子过少时，取消原算法中关于ＰＲＥＳＳ值上界的规定和增加候选因子数以增加引进因子数。最后，对应用ＰＲＥＳＳ准则时所选因子的优良性进行了讨论     

A note on the weighted norm inequality for the one-sided maximal operator

Let be the one-sided maximal function. In this note we obtain some necessary and sufficient conditions in order that the weighted weak type inequality holds for . Meanwhile, some necessary or sufficient conditions for the weighted inequality for are given.

     

RANDOM WEIGHTING APPROXIMATION IN LINEAR REGRESSION MODELS

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A preconditioner for constrained and weighted least squares problems with Toeplitz structure

We study methods for solving the constrained and weighted least squares problem min _x by the preconditioned conjugate gradient (PCG) method. HereW = diag (₁, , _m ) with _{1 m} 0, andA ^T = [T ₁ ^T , ,T _k ^T ] with Toeplitz blocksT _l R ^{n × n} ,l = 1, ,k. It is well-known that this problem can be solved by solving anaugmented linear 2 × 2 block linear systemM +Ax =b, A ^T = 0, whereM =W ^–1. We will use the PCG method with circulant-like preconditioner for solving the system. We show that the spectrum of the preconditioned matrix is clustered around one. When the PCG method is applied to solve the system, we can expect a fast convergence rate.Research supported by HKRGC grants no. CUHK 178/93E and CUHK 316/94E.     

Comparison of two-dimensional integration methods for shape reconstruction from gradient data

As a requisite and key step in some gradient-based measurement techniques, the reconstruction of the shape, more generally the scalar potential, from the measured gradient data has been studied for many years. In this work, three types of two-dimensional integration methods are compared under various conditions. The merits and drawbacks of each integration method are consequently revealed to provide suggestions in selection of a proper integration method for a particular application.