A modification of the successive projections algorithm for spectral variable selection in the presence of unknown interferents

This work proposes a modification to the successive projections algorithm (SPA) aimed at selecting spectral variables for multiple linear regression (MLR) in the presence of unknown interferents not included in the calibration data set. The modified algorithm favours the selection of variables in which the effect of the interferent is less pronounced. The proposed procedure can be regarded as an adaptive modelling technique, because the spectral features of the samples to be analyzed are considered in the variable selection process. The advantages of this new approach are demonstrated in two analytical problems, namely (1) ultraviolet–visible spectrometric determination of tartrazine, allure red and sunset yellow in aqueous solutions under the interference of erythrosine, and (2) near-infrared spectrometric determination of ethanol in gasoline under the interference of toluene. In these case studies, the performance of conventional MLR-SPA models is substantially degraded by the presence of the interferent. This problem is circumvented by applying the proposed Adaptive MLR-SPA approach, which results in prediction errors smaller than those obtained by three other multivariate calibration techniques, namely stepwise regression, full-spectrum partial-least-squares (PLS) and PLS with variables selected by a genetic algorithm. An inspection of the variable selection results reveals that the Adaptive approach successfully avoids spectral regions in which the interference is more intense.     

Time-Resolved Reflectance of an Optical Pulse in Adult Heads Based on the Finite Difference Time Domain (FDTD) Analysis

Time-resolved reflectance of an optical pulse in adult head models including non-scattering cerebrospinal fluid (CSF) has been analyzed by the finite difference time domain (FDTD) analysis formulated by the authors. Averaged light intensity and mean time of flight dependences on the source-detector separations calculated by the FDTD analysis are in good agreement with previous experiments, hybrid finite element method (FEM) and Monte Carlo calculations, which justify the FDTD analysis. Based on the analysis, time-resolved reflectance sensitivities to detect optical property changes in brain have been analyzed. As a result, it has been become clear that the sensitivities to detect absorption changes of brain are enhanced in time-resolved reflectance compared to the sensitivities in averaged light intensity, whereas the sensitivities to detect scattering property changes of brain are almost the same in time-resolved reflectance and in averaged light intensity. © 2005 The Optical Society of Japan     

Interaction of water with poly(vinyl methyl ether) in aqueous solution

Near-infrared, viscometric, and calorimetric measurements were made on aqueous poly(vinyl methyl ether) (PVME) solutions at temperatures between 15 and 43°C. We found a hydrogen-bonded structure of water around the polymer chain (a polymer-water complex), which is characterized by two distinct hydration numbers (i.e., 2.7 and 5.0 water molecules on each monomer unit of the chain) by analyzing the concentration dependence of endothermic enthalpies at a cloud point temperature, ca. 35°C. In particular, the 2.7 water-polymer complex has been suggested to be cooperatively formed by using data of the near-infrared (nir) absorption spectrum around 1930 nm. Furthermore, the peak-wavelength of the nir spectrum has been observed to change drastically at the cloud point when the temperature is raised. This can be interpreted as a cooperative collapse of the hydrogen-bonded water structure to free water, resulting in the aggregation of the polymer chains due to the exposure of their hydrophobic groups at the cloud point. © 1994 John Wiley & Sons, Inc.     

用近红外无损肌氧及运动心率检测技术评定100m极量强度运动对心脏冲击影响

利用连续双波长近红外光技术测量肌肉中血红蛋白含氧量的变化情况,同时应用运动心率无线实时采集设备,设计了检测实时肌肉组织血氧含量和瞬时心率实验方案,对6名健康男性进行了100 m跑同步实测实验。实验表明,肌肉组织氧合血红蛋白浓度在100 m跑结束后继续降低,达到最低值的时刻滞后于运动结束时刻的时间为(6.65±1.10)s;心率则在运动结束后继续上升,达到最高值的时刻滞后于运动结束时刻的时间为(8.00±1.57)s。这些结果显示了双波长近红外光组织氧测试技术和运动心率无线实时采集系统能够正确检测极量强度运动时的血氧参数和心率,揭示了极量强度运动过程中肌肉中氧运输与消耗的过程及其与心率之间的动力学特征。     

Tb3+、Yb3+共掺BaGd2ZnO5荧光粉的制备及其近红外量子剪裁研究

采用高温固相法合成了Tb3+、Yb3+共掺杂的BaGd2ZnO5荧光粉。XRD测量数据表明合成的样品为纯相。在Tb3+特征激发(297 nm)下得到了Yb3+的特征发射(977 nm),并且对Tb3+与Yb3+能级图进行分析,证明Tb3+到Yb3+为合作能量传递。测量了不同Yb3+浓度下Tb3+的5D4能级(544 nm)的发光寿命曲线,计算得到Tb3+与Yb3+的能量传递效率和量子效率,最高量子效率为125.5%。Yb3+的发射与硅太阳能电池的吸收匹配,该材料有可能应用于硅太阳能电池以提高其转换效率。     

PVK空穴传输层对Ndq3近红外发光二极管性能的影响

以PEDOT∶PSS作为空穴注入层,聚合物PVK作为空穴传输层,制备了结构为ITO/PEDOT∶PSS/PVK/8-羟基喹啉钕(Ndq3)/Al的近红外OLED,研究了PVK与PEDOT∶PSS功能层对器件I-V特性和EL光谱的影响。结果显示,在EL光谱中的905,1 064,1 340 nm处均观察到了荧光发射,分别对应于Nd3+的4F3/2→4I9/2、4F3/2→4I11/2和4F3/2→4I13/2能级跃迁。与参考器件对比分析认为,PEDOT∶PSS高的导电性降低了器件的串联电阻,增大了器件的工作电流;PVK与PEDOT∶PSS共同降低了空穴的注入势垒,实现了Ndq3发光层区域的载流子的注入平衡并改善了器件的发射强度。此外,PVK有效降低了ITO电极表面粗糙度,也是器件性能提高的原因之一。     

Near Infrared Studies of Polymer Blends

Abstract

The dependence of absorption in the near-infrared region of cellulose acetate-polyaniline/camphorsulfonic acid blends on their conductivity and homogeneity has been studied. Thin films (10 to 100 μm) of the blends containing various amounts of protonated polyaniline show very high absorption in the NIR region. The absorption increases with increasing of conductivity and homogeneity of the sample.     

Investigation of the Kinetics of Curing Reaction for the Resin Matrix Polymer Composite Based on Near-Infrared Spectroscopy

Abstract

Near-infrared (NIR) spectroscopy is a rapid and nondestructive method for the simultaneous measurement of different constituents in resin matrix polymer composites. This strategy has been applied in the synthesis of resin matrix polymer composites. In this article, we mainly review the control of curing reaction kinetics of the phenolic, epoxy resin, polyester resin, polyurethane, and other polymer resin based on NIR spectra, which is important to control the quality of the resin matrix polymer composites during synthesis.     

Secondary Ion Mass Spectrometry Imaging

Secondary ion mass spectrometry (SIMS) is a chemical analysis technique that employs mass spectrometry to analyze solid and low volatility liquid samples [1]. Although there are numerous configurations of SIMS instrumentation, the fundamental basis of SIMS analyses is the measurement of the mass and intensity of secondary ions produced in a vacuum by sputtering the surface of the sample with energetic ion or neutral beams. The sputtering beam is referred to as the primary beam and typically has a kinetic energy of several thousand electronvolts (keV). The primary beam removes atomic or molecular layers at a rate determined principally by the intensity, mass, and energy of the primary species and the chemical and physical characteristics of the sample [2]. Particle sputtering at the kiloelectronvolt level produces a variety of products including electrons, photons, atoms, atomic clusters, intact molecules, and distinctive molecular fragments. A small fraction of these sputter products are ionized, and these ions are the secondary ions in secondary ion mass spectrometry.