药品近红外光谱通用性定量模型评价参数的选择

为寻找药品近红外通用性定量模型在建立过程中用于确立最优模型的关键评价参数组合,收集整理了目前各种商品化化学计量学软件及文献中的13个常用于评价近红外定量模型的统计学参数,结合人用药品注册技术要求国际协调会对于药品定量分析方法验证基本要求,对92个药品近红外通用性定量分析模型的这些参数进行了计算和分析。通过对各个参数之间相互关系的研究,确定了适合于药品近红外通用性定量分析模型评价的参数组合,并统计出了这些参数的数值范围：用于模型准确性评价的关键参数为交叉验证均方根误差/预测均方根误差、平均相对偏差和相对分析误差;大部分交叉验证均方根误差/预测均方根误差结果在3%以内,其中交叉验证均方根误差在数值上与平均绝对偏差相当,大部分相对分析误差值大于2,而平均相对偏差的数值与所建模型的类型(剂型、样品的包装形式)和待测成分含量的分布有关。模型线性评价关键参数为决定系数;大部分模型的决定系数在80%～100%之间。模型耐用性关键评价参数为预测均方根误差与交叉验证均方根误差的比值,大部分模型该参数在1.5以内。精密度评价关键参数为重复测定结果的标准差;该参数对于规范近红外的操作,以及考核模型能否在不同仪器间传递具有重要的意义,但目前药品近红外通用性定量模型对于分析精密度的关注较少,无法估计出具体数值范围。该研究不仅为药品近红外通用性模型的建立者和使用者提供了评价模型优劣的依据,也为完善药品近红外光谱通用性定量分析模型的参数评价体系提供了基础数据。     

可见/近红外光谱的油茶籽油三元体系掺假检测模型优化

采用可见/近红外光谱技术结合化学计量学方法对油茶籽油三元体系掺假进行定量检测研究。将菜籽油和花生油按不同比例掺入纯油茶籽油中,获得掺假样本。采集纯油茶籽油及掺假样本在350~1 800 nm范围内的可见/近红外光谱数据,随机分为校正集和预测集,并从不同建模波段、预处理方法及建模方法角度对掺假预测模型进行优化。研究结果表明,菜籽油、花生油和总掺伪量的最优建模波段及预处理方法分别为750~1 770,900~1 770 ,870~1 770 nm和多元散射校正(MSC)、标准归一化处理(SNV)和二阶微分,而最优的建模方法均为最小二乘支持向量机(LSSVM)。对于最优掺假模型,菜籽油、花生油和总掺伪量的预测集相关系数(R_p)和预测均方根误差(RMSEP)分别为0.963,0.982,0.993和2.1%,1.5%,1.8%。由此可见,可见/近红外光谱技术结合化学计量学方法可以用于油茶籽油的三元体系掺假定量检测。     

夸克－胶子等离子体对高能碰撞多重产生的可能描述

以ＱＣＤ袋模型和统计流体力学模型为基础，在二维平衡态近似下得到多重数和质心系能量的关系式，和高能　碰撞非单衍过程产生的多重数实验数据吻合得很好；在三维平衡态近似下得到中心在快度较大区域的产生粒子的源Ⅱ的大小和横动量的关系，关系式和三火球模型计算结果符合．     

基于车载通信标准街道场景的电磁散射信道模型

针对室外无线信道视距(line of sight,LOS)/非视距(non-line of sight,NLOS)传输环境下的车到车(vehicular-to-vehicular,V2V)通信系统,本文提出了一种基于标准街道散射的统计信道模型,其移动发射机(mobile transmitter,MT)与移动接收机(mobile receiver,MR)处于运动状态,街道两旁分布的散射体固定.由几何模型出发又引入了一种随机的参考信道模型,其散射体有无穷多个,均以平行于街道两侧的散射条纹形式均匀分布在三维(three dimensional,3D)空间的一个二维(two dimensional,2D)矩形内部.在室外街道通信环境下,模型推导了散射信道中发射角(angle of departure,AOD)以及到达角(angle of arrival,AOA)的概率密度函数(probability density functions,PDFs)解析式;研究了多普勒功率谱密度(power spectral density,PSD)及其时间自相关函数(autocorrelation function,ACF);分析了模型多普勒参数以及街道散射体等因素对V2V通信系统性能的影响.与城市、农村的测量信道对比分析,表明本模型仿真的统计特性符合理论与实际,拓宽了室外V2V无线通信信道建模的研究.为评估室外V2V通信系统的传输特性、仿真无线通信系统提供了有力的研究工具.     

Bounce-Averaged Acceleration of Energetic Electrons by Whistler Mode Chorus in the Magnetosphere

We construct the bounce-averaged diffusion coefficients and study the bounce-averaged acceleration for energetic electrons in gyroresonance with whistler mode chorus. Numerical calculations have been performed for a band of chorus frequency distributed over a standard Gaussian spectrum specifically in the region near L = 4.5, where peaks of the electron phase space density occur. It is found that whistler mode chorus can efficiently accelerate electrons and can increase the phase space density at energies of about 1 MeV by more than one order of magnitude about one day, in agreement with the satellite observations during the recovery phase of magnetic storms.     

Growth and Characterization of A1GaN/A1N/GaN HEMT Structures with a Compositionally Step-Graded A1GaN Barrier Layer

A new A1GaN/A1N/GaN high electron mobility transistor （HEMT） structure using a compositionally step-graded A1GaN barrier layer is grown on sapphire by metalorganic chemical vapour deposition （MOCVD）. The structure demonstrates significant enhancement of two-dimensional electron gas （2DEG） mobility and smooth surface morphology compared with the conventional HEMT structure with high A1 composition A1GaN barrier. The high 2DEG mobility of 1806 cm2/Vs at room temperature and low rms surface roughness of 0.220 nm for a scan area of 5μm×5 μm are attributed to the improvement of interracial and crystal quality by employing the stepgraded barrier to accommodate the large lattice mismatch stress. The 2DEG sheet density is independent of the measurement temperature, showing the excellent 2DEG confinement of the step-graded structure. A low average sheet resistance of 314.5Ω/square, with a good resistance uniformity of 0.68%, is also obtained across the 50 mm epilayer wafer. HEMT devices are successfully fabricated using this material structure, which exhibits a maximum extrinsic transconductance of 218 mS/ram and a maximum drain current density of 800 mA/mm.     

Bianchi Type-Ⅲ String Cosmological Model With Bulk Viscosity and Magnetic Field

The Bianchi type-Ⅲ cosmological model for a cloud string in the presence of bulk viscosity and magnetic field are presented. To obtain the determinate model it is assumed that there is an equation of state ρ = kA and the scalar of expansion is proportional to the shear scalar θ ∝ σ, which leads to a relation between metric potentials B = mC^n. The physical and geometric aspects of the model are also discussed. The model describes a shearing non-rotating continuously expanding universe with a big-bang start. In the absence of magnetic field, it reduces to the string model with bulk viscosity that was previously given in the literature.     

Bursting and spiking due to additional direct and stochastic currents in neuron models

Neurons at rest can exhibit diverse firing activities patterns in response to various external deterministic and random stimuli, especially additional currents. In this paper, neuronal firing patterns from bursting to spiking, induced by additional direct and stochastic currents, are explored in rest states corresponding to two values of the parameter $V_{\rm K}$ in the Chay neuron system. Three cases are considered by numerical simulation and fast/slow dynamic analysis, in which only the direct current or the stochastic current exists, or the direct and stochastic currents coexist. Meanwhile, several important bursting patterns in neuronal experiments, such as the period-1 ``circle/homoclinic" bursting and the integer multiple ``fold/homoclinic" bursting with one spike per burst, as well as the transition from integer multiple bursting to period-1 ``circle/homoclinic" bursting and that from stochastic ``Hopf/homoclinic" bursting to ``Hopf/homoclinic" bursting, are investigated in detail.     

Auditory place theory and frequency difference limen

It has been a barrier that the place code is far too coarse a mechanism to account for the finest frequency difference limen for place theory of hearing since it was proposed in 19th century. A place correlation model, which takes the energy distribution of a pure tone in neighboring bands of auditory filters into full account, was presented in this paper. The model based on the place theory and some experimental results of the psychophysical tuning curves of hearing can explain the finest difference limen for frequency (about 0.02 or 0.3% at 1000 Hz) easily. Using a standard 1/3 octave filter bank of which the relationship between the frequency of a input pure tone apart from the centre frequency of K-th filter band, Δf, and the output intensity difference between K-th and (K l)-th filters,ΔE, was established in order to show the fine frequency detection ability of the filter bank. This model can also be used to abstract the fundamental frequency of speech and to measure the frequency of pure tone precisely.     

各向异性浮力紊流的显式代数应力模型及其验证

在Wallin & Johansson的显式代数雷诺应力模型(EARSM)基础上,引入浮力的紊动效应,使该模型能够反映浮力对紊流运动的影响.利用同位网格上的SIMPLEC算法,模拟了T-型连接管内的温度混合流动.与实验资料和DNS计算结果比较表明,提出的模型能够反映各向异性的浮力紊流特征,而且模型在计算进程中显示出良好的数值收敛性能,与涡粘性两方程模型的计算花费相当.