Likelihood and conditional likelihood inference for generalized additive mixed models for clustered data

Lin and Zhang (J. Roy. Statist. Soc. Ser. B 61 (1999) 381) proposed the generalized additive mixed model (GAMM) as a framework for analysis of correlated data, where normally distributed random effects are used to account for correlation in the data, and proposed to use double penalized quasi-likelihood (DPQL) to estimate the nonparametric functions in the model and marginal likelihood to estimate the smoothing parameters and variance components simultaneously. However, the normal distributional assumption for the random effects may not be realistic in many applications, and it is unclear how violation of this assumption affects ensuing inferences for GAMMs. For a particular class of GAMMs, we propose a conditional estimation procedure built on a conditional likelihood for the response given a sufficient statistic for the random effect, treating the random effect as a nuisance parameter, which thus should be robust to its distribution. In extensive simulation studies, we assess performance of this estimator under a range of conditions and use it as a basis for comparison to DPQL to evaluate the impact of violation of the normality assumption. The procedure is illustrated with application to data from the Multicenter AIDS Cohort Study (MACS).     

Relaxation-Induced Suppression of Vortex Disturbances in a Molecular Gas

The influence of thermal excitation on a finite-amplitude vortex disturbance in a shear flow of a molecular gas is studied in a model problem. The evolution of such vortex structures is typical of both the nonlinear stage of the laminar–turbulent transition and for developed turbulence. Since the excitation level was assumed to be comparatively low, full Navier–Stokes equations for a compressible heat-conducting gas were used in calculations; nonequilibrium was taken into account by the coefficient of bulk viscosity. As the bulk viscosity increases in the range of realistic values, the disturbance-energy damping rate in a weakly compressible flow increases approximately by 10%. The increase in the Mach number enhances the effect of disturbance suppression.     

Infrared absorption and reflectivity of double perovskite Sr2FeWO6

In this work we present temperature dependent infrared reflectivity and absorption of Sr₂FeWO₆ between 700 and 17 K measured from 40 to 10000 cm⁻¹. The reflectivity spectra show well defined phonon bands peaking at 143, 227, 377 and 625 cm⁻¹ assigned to overlapping vibrational modes split from those active in cubic perovskite. We have also verified that this compound is structurally stable in the whole temperature range and that its optical gap at ∼750 cm⁻¹ (95 meV) undergoes only a minor high temperature decrease ascribed to new thermally accessible levels.     

Solubility parameter determination of cationic surfactants by inverse GC

Summary The solubility parameters of cationic surfactants were obtained using the inverse gas chromatographic technique. The surfactants didodecyl dimethyl ammonium bromide, dioctadecyl dimethyl ammonium bromide and dodecyl pyridinium chloride were used as stationary phase and retention data of different probe solutes were measured at different temperatures. The results were analysed by the combination of Flory-Huggins and Hildebrand theories, and the solubility parameters of the surfactants were obtained in a range of temperatures between 80–120°C.     

燃煤烟气中As、Se、Pb的形态分布及S、Cl元素对其形态分布的影响

基于化学热力学平衡分析方法，计算分析了燃煤烟气中重金属As、Se、Pb的形态分布规律，研究了S、Cl等元素对As、Se、Pb的形态分布规律的影响。结果表明，氧化性气氛下，As以As₂O₅、As₄O₆、AsO等氧化物的形式存在；Se主要以SeO₂形式存在；Pb在1000 K以下主要是固态PbSO₄，1200 K以上为气态PbO。还原性气氛下，As在较低温度时为固态As₂S₂，900-1400 K以As₂、AsS、AsN气体共存，2000 K以上全部转化为气态AsO。Se在1100 K以下主要以气态H₂Se存在，1100 K开始生成SeS和Se₂气体，1800 K时主要是气态Se和少量气态SeO；Pb在中低温时主要是PbS，1800 K以上气态Pb为主要存在形态。S在还原性气氛下增大了AsS（g）、PbS（g）、SeS（g）的比例，氧化性气氛下对As、Se、Pb形态分布基本无影响；Cl无论在氧化还是还原气氛下对As、Se影响均较小，但对Pb的形态分布影响较大。     

F-H实验仪与光栅光谱仪连用观测253.7nm谱线

通过F-H实验仪和光栅光谱仪的连用，可实时观测汞原子从6s6s1So态激发到6s6sSP1态，退激时，辐射出能量为4．9eV的光量子，其波长为253．7nm．     

甚高频等离子体增强化学气相沉积法沉积μc-Si∶H薄膜中氧污染的初步研究

对不同的本底真空条件下,采用甚高频等离子体增强化学气相沉积技术沉积的氢化微晶硅（μc_Si∶H）薄膜中的氧污染问题进行了比较研究.对不同氧污染条件下制备的薄膜样品的x射线光电子能谱与傅里叶变换红外吸收光谱测量结果表明：μc_Si∶H薄膜中,氧以Si—O，O—O和O—H三种不同的键合模式存在,不同的键合模式源自不同的物理机理.μc_Si∶H薄膜的Raman光谱、电导率与激活能的测量结果进一步显示：沉积过程中氧污染程度的不同,对μc_Si∶H薄膜的结构特性与电学特性产生显著影响；而不同氧污染对μc_Si∶H薄膜电学特性的影响不同于氢化非晶硅（a_Si:H）薄膜. 关键词： 氢化微晶硅薄膜 甚高频等离子体增强化学气相沉积 氧污染     

1H and 13C NMR assignments of abietane diterpenes from Aegiphila lhotzkyana

An NMR study of one new and several known abietane diterpenes isolated from the roots of Aegiphila lhotzkyana is described. In addition to 1D NMR, several 2D shift‐correlated NMR pulse sequences (¹H–¹H‐COSY, NOESY, HMQC and HMBC) were used to establish all the structures, and unambiguously perform the ¹H and ¹³C chemical shift assignments of the new natural diterpene and three derivatives, the NMR data for which have not been reported previously. Revision of current data assignment for teuvincenone H is also suggested. Copyright © 2003 John Wiley & Sons, Ltd.     

Tunable narrow-band infrared emitters from hexagonal lattices

In this work, we present both the theoretical basis as well as supporting experimental measurements for development of a novel mid-infrared thermally stimulated narrow band emitter with a spectral bandwidth of less than 10%. To achieve this, we utilize a metallized-surface 2D photonic crystal of air voids in a silicon background with hexagonal structure symmetry. Our results are based on the generation of discrete surface plasmon (SP) modes in the thin metallized layer residing on the top surface. This yields a series of adequately spaced discrete peaks in the reflection spectrum, dominated by a single sharp feature corresponding to the lowest plasmon order, in an otherwise uniform highly reflective spectrum (>90%) over most of the IR spectrum. This, in turn, gives rise to a sharp absorption feature with a correspondingly narrow thermal emission peak in the emission spectrum. Transfer matrix calculations simulate well both the position and strengths of the absorption peaks. By altering the period of the surface photonic lattice, the SP peak and emissive band can be tuned to the desired wavelength. These devices promise a new class of tunable infrared emitters with high power in a narrow spectral bandwidth. Such narrow band sources are critical to achieving high efficiency gas sensors.