Muscle oxygenation measurement in humans by noninvasive optical spectroscopy and Locally Weighted Regression

We have developed a method to make real-time, continuous, noninvasive measurements of muscle oxygenation (Mox) from the surface of the skin. A key development was measurement in both the visible and near infrared (NIR) regions. Measurement of both oxygenated and deoxygenated myoglobin and hemoglobin resulted in a more accurate measurement of Mox than could be achieved with measurement of only the deoxygenated components, as in traditional near-infrared spectroscopy (NIRS). Using the second derivative with respect to wavelength reduced the effects of scattering on the spectra and also made oxygenated and deoxygenated forms more distinguishable from each other. Selecting spectral bands where oxygenated and deoxygenated forms absorb filtered out noise and spectral features unrelated to Mox. NIR and visible bands were scaled relative to each other in order to correct for errors introduced by normalization. Multivariate Curve Resolution (MCR) was used to estimate Mox from spectra within each data set collected from healthy subjects. A Locally Weighted Regression (LWR) model was built from calibration set spectra and associated Mox values from 20 subjects using 2562 spectra. LWR and Partial Least Squares (PLS) allow accurate measurement of Mox despite variations in skin pigment or fat layer thickness in different subjects. The method estimated Mox in five healthy subjects with an RMSE of 5.4%.     

基于电子商务的集群式供应链跨链库存控制

以电子商务环境下集群式供应链库存控制为对象,建立了时变需求下跨链合作的交叉库存模型,并用H∞控制中抑制外部干扰的对策理论来寻求最优订货策略,以减小库存、订货波动和提高供需网快速响应市场的能力.文中采用对比分析方法分别针对供应链间有合作与无合作情形对模型做了仿真实验,仿真表明,实施H∞控制和交叉紧急库存补充策略可以有效避免货物积压或缺货现象,提高供应链及集群的竞争力.     

微观结构对膜换湿能力影响研究

对多孔膜换湿过程进行了理论分析,得到了透湿量和湿阻的计算式.同时对三种膜包括PVDF,PES和纤维素膜进行了湿阻的测量实验,通过对实验数据的回归处理,得到了多孔膜的结构参数.结果表明,膜厚、孔径分布、孔隙率及曲折因子对膜的换湿特性都有较大影响,在平均孔径相同的情况下,其它因素仍然导致了不同膜换湿能力的较大差距。在所获得的结构参数基础上,通过数值模拟的方法研究了平均孔径对膜换湿能力的影响。结果表明湿阻随平均孔径的增大而减小,减小趋势逐渐平缓最后趋向一定值。     

Evaluation of eigenvalues of a smooth potential via Schroedinger transmission across multi-step potential

In a one-dimensional quantal solution of Schroedinger equation, the general expressions for reflection and transmission coefficients are derived for a potential constituting n number of rectangular wells and barriers. These expressions are readily used for the estimation of eigenvalues of a smooth potential which is simulated by a multi-step potential. The applicability of this method is demonstrated with success in potentials with different forms including the most versatile Ginocchio potential where the widely used numerical method like Runge-Kutta integration algorithm fails to yield the result. Accurate evaluation of eigenvalues free from numerical problem for any form of potentials, whether analytically solvable or not, is the highlight of the present multi-step approximation method in the theory of potential scattering.      

Modelling lifetime data: a graphical approach

In this paper we point out the differences between the most common hazard-based models, such as the proportional hazards and the accelerated failure time models. We focus on the heteroscestaticity-across-individuals problem that cannot be accommodated by them, and give motivation and general ideas about more flexible formulations. We describe hybrid and extended models, which have the former models as particular cases, but keep enough flexibility to fit data with heteroscedasticity. We show that by considering simple graphical procedures it is easy to verify whether there is heteroscedasticity in the data, whether it is possible to describe it through a simple function of the covariates, and whether it is important to take it in account for the final fit. Real datasets are considered. Copyright © 1999 John Wiley & Sons, Ltd.     

第二代测序序列比对方法综述

使用聚合酶合成技术的Illumina和454平台以及使用连接酶合成测序技术的SOLiD平台是目前三种主流的第二代测序平台.对第二代测序平台产生的高通量序列片段进行比对的方法一般分为两步：①预处理,②序列比对.预处理方法有两类,即基于哈希表的方法和基于后缀trie的Burrows-Wheeler转换思想.序列比对方法也可分为两类,一是空位种子片段索引,二是Smith-Waterman动态规划算法.本文使用Illumina和SOLiD两种平台产生的数据对常用的比对软件SHRiMP,MAQ,BFAST,BWA,BOWTIE等进行了单机测试,结果显示：BOW-TIE在对Illumina平台数据进行比对时,在内存使用、比对速度以及准确性等方面表现比其他几种好,BWA比较适合用于比对SOLiD平台产生的数据.在处理第二代以及以纳米孔技术为标志的第三代测序平台高通量数据时,第二代比对技术仍不能完全满足要求,本文认为以云计算为基础的新序列比对方法是未来研究和发展的一个重要方向.     

MEMS稀薄气体内部流动模拟中的信息保存法

首先综述了处理低速稀薄气体流动的一些方法: 线化Boltzmann方程方法、Lattice Boltzmann方法(LBM)、加滑移边界的Navier-Stokes方程、以及DSMC方法, 并讨论它们在模拟MEMS中过渡领域低速流动特别是内部流动所遇到的困难, 其中表明了LBM现有方案不适合模拟过渡领域中的MEMS流动问题. 信息保存(IP)法通过保存一个模拟分子所代表的大量分子的平均信息,克服了流速低使得信息噪声比小而引起统计模拟的困难. 本文给出了方法的一些理论证实. MEMS中内部流动的特点, 即流速低和大的长宽比的特点, 引起椭圆性问题, 即出入口边界条件相互影响需要协调的问题. 通过对(长约几千微米的)微槽道流动应用IP方法的算例,演示了采用守恒形式的质量守恒方程和超松弛法可成功地解决这一问题. 借助同样的方法,用IP方法求解了真实长度(1\,000\,$\mu$m)硬盘驱动器读写头在过渡领域的薄膜支撑问题, 压力分布与具有严格气体动理论基础的概括化Reynolds方程完全相符, 而在此之前, DSMC方法只对短的读写头(5\,$\mu$m)与Reynolds方程做了校验. 作者建议将原来用于求解读写头润滑问题的Reynolds方程退化来求解过渡领域中的微槽道流动问题, 从而提供了一个有严格气体动理论品性的检验方法来验证求解MEMS内部流动的各种方法.      

A New Unsteady Three Dimensional Model for Macromolecular Transport and Water Filtration Across the Arterial Wall

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Theoretical study of bifurcated hydrogen bonding effects on the 1J(N,H), 1hJ(N,H), 2hJ(N,N) couplings and 1H, 15N shieldings in model pyrroles

According to the density functional theory calculations, the X···H···N (X?N, O) intramolecular bifurcated (three‐centered) hydrogen bond with one hydrogen donor and two hydrogen acceptors causes a significant decrease of the ^1hJ(N,H) and ^2hJ(N,N) coupling constants across the N? H···N hydrogen bond and an increase of the ¹J(N,H) coupling constant across the N? H covalent bond in the 2,5‐disubsituted pyrroles. This occurs due to a weakening of the N? H···N hydrogen bridge resulting in a lengthening of the N···H distance and a decrease of the hydrogen bond angle at the bifurcated hydrogen bond formation. The gauge‐independent atomic orbital calculations of the shielding constants suggest that a weakening of the N? H···N hydrogen bridge in case of the three‐centered hydrogen bond yields a shielding of the bridge proton and deshielding of the acceptor nitrogen atom. The atoms‐in‐molecules analysis shows that an attenuation of the ^1hJ(N,H) and ^2hJ(N,N) couplings in the compounds with bifurcated hydrogen bond is connected with a decrease of the electron density ρ_H···N at the hydrogen bond critical point and Laplacian of this electron density ?²ρ_H···N. The natural bond orbital analysis suggests that the additional N? H···X interaction partly inhibits the charge transfer from the nitrogen lone pair to the σ*_{N? H} antibonding orbital across hydrogen bond weakening of the ^1hJ(N,H) and ^2hJ(N,N) trans‐hydrogen bond couplings through Fermi‐contact mechanism. An increase of the nitrogen s‐character percentage of the N? H bond in consequence of the bifurcated hydrogen bonding leads to an increase of the ¹J(N,H) coupling constant across the N? H covalent bond and deshielding of the hydrogen donor nitrogen atom. Copyright © 2010 John Wiley & Sons, Ltd.