盐酸托哌酮的NMR研究

应用1D NMR和脉冲梯度场2D NMR技术深入研究盐酸托哌酮的溶液结构,对其¹H和¹³C NMR化学位移进行全归属,并讨论其立体化学.     

高光谱技术结合CARS算法的库尔勒香梨可溶性固形物定量测定

由于高光谱数据量大、维数高,光谱噪声明显、散射严重等特征导致光谱建模时关键变量提取较为困难,同时,高光谱图像的获取会受非单色光、杂散光、温度等多种因素的影响,从而使高光谱数据与待测性质之间有一定非线性关系。为此,提出采用正自适应加权算法(CARS)对可见-近红外高光谱高维数据进行关键变量筛选,并与全光谱和经典变量提取方法SPA,MC-UVE,GA和GA-SPA方法进行比较。以200个库尔勒香梨为研究对象,采用SPXY方法将样本划分为校正集和预测集,校正集和预测集分别包含150个和50个样本。基于不同方法筛选的变量,分别建立线性PLS模型及非线性LS-SVM模型,r2,RMSEP和RPD用于模型性能的评估。综合比较发现,GA,GA-SPA和CARS变量筛选方法能够有效地筛选出原始高光谱数据中具有强信息且对外界影响因素不敏感的变量,适用于高光谱数据关键变量的提取,其中CARS变量筛选效果最佳,基于CARS获取的关键变量构建的非线性LS-SVM库尔勒香梨SSC含量预测模型获得了最优的预测结果,r2_pre,RMSEP和RPD分别为0.851 2,0.291 3和2.592 4。研究表明,CARS方法是一种有效的高光谱关键变量筛选方法,利用高光谱数据,非线性LS-SVM模型比线性PLS模型更适合于香梨品质的定量预测。     

基于自衍射效应的自参考光谱干涉方法的研究

研究一种基于非线性透明光学介质中的自衍射和自参考光谱干涉的新方法来进行飞秒激光脉冲测量. 实验中, 基于此新方法设计一种简单装置, 对800 nm 中心波长, 约40 fs 近无啁啾飞秒激光脉冲进行测量, 并与自参考光谱相干电场重建法测量结果进行比较, 得到了一致的结果. 此新方法与相应的装置结构简单, 可以对深紫外到中红外光谱范围的飞秒脉冲进行测量. 关键词： 飞秒激光脉冲 自参考光谱干涉 自衍射 脉冲测量     

基于TG-FTIR的杨木热解过程中脲醛树脂影响机理的模型物研究

热解是废弃人造板高效回收利用的方式,人造板中所含胶黏剂是其不同于生物质的主要特征。为了有效环保地利用热解技术处理废弃人造板,解明人造板热解过程中其所含脲醛树脂胶黏剂(UF)对木材热解特性的影响,深入探索UF对人造板中木材各组分的作用机制,以杨木及木材的三种主要组分(纤维素、半纤维素、木素)为研究对象,创新性地依据杨木的化学组成,以纤维素、木聚糖和木素配制成模型物,并加入UF模拟人造板的构成。利用热重红外光谱联用(TG-FTIR)分析法,对比分析了加入UF前后模型物以及杨木各主要组分的热失重特性及气相演变规律。热重及红外结果表明,UF促进了纤维素热解过程中水和羧酸类物质的生成。UF与木素结合生成热不稳定的含氮结构,释放大量氨气,并且在200～300 ℃区间内参与了木素的热解并直接影响木素热解产物的生成。由此推测,在人造板热解过程中,木材三种主要组分中与UF作用的主要成分是木素。     

Label-free high-throughput and real-time detections of protein interactions by oblique-incidence reflectivity difference method

Selected Mouse IgG of 1 mg/mL as target was fabricated on microarray for 500 sample dots.Label-free and real-time reaction dynamic processes were detected between the microarrays with Goat Anti-mouse IgG of 0.02 mg/mL using the obliqueincidence reflectivity difference(OIRD)method.We obtained the reaction results and the reaction dynamic curves of 500 protein dots.In addition,we also used label-free detection of protein microarrays of 10080 sample dots,including BSA and different concentrations of Mouse IgG and Rabbit IgG,by OIRD.The obtained reaction results between the protein microarray with 1 mg/mL Goat Anti-mouse IgG and 1 mg/mL Goat Anti-rabbit IgG are reported herein.Experimental results show that OIRD can be not only label-free high-throughput detection method for biological microarrays but also label-free real-time detection in the interaction processes of biomolecules.     

Interfacial and electrical properties of HfAlO/GaSb metal-oxide-semiconductor capacitors with sulfur passivation

Interfacial and electrical properties of HfAlO/GaSb metal-oxide-semiconductor capacitors(MOSCAPs) with sulfur passivation were investigated and the chemical mechanisms of the sulfur passivation process were carefully studied. It was shown that the sulfur passivation treatment could reduce the interface trap density Ditof the HfAlO/GaSb interface by 35% and reduce the equivalent oxide thickness(EOT) from 8 nm to 4 nm. The improved properties are due to the removal of the native oxide layer, as was proven by x-ray photoelectron spectroscopy measurements and high-resolution cross-sectional transmission electron microscopy(HRXTEM) results. It was also found that GaSb-based MOSCAPs with HfAlO gate dielectrics have interfacial properties superior to those using HfO2 or Al2O3 dielectric layers.     

Effects of shaded facets on the performance of metal-coated etched diffraction grating demultiplexer

A finite-difference time-domain (FDTD) method combined with a periodic boundary condition is used to analyze the diffraction efficiency of an etched diffraction grating (EDG) demultiplexer coated with a metallic film at the backside. The numerical results show that the diffraction loss is mainly due to the scattering effect of shaded facets of a metal-coated grating at both the polarizations. However, the same shaded facets can produce a higher loss for a TM polarization than that for a TE polarization, which induces a higher polarization dependent loss (PDL) of the demultiplexer.     

Use of tunable second‐harmonic signal from KNbO3 nanoneedles to find optimal wavelength for deep‐tissue imaging

Nonlinear optical (NLO) responses of perovskite‐type nanostructures have a variety of potential applications owing to the highly efficient frequency conversion guaranteed by both the material itself and the nanometer‐scale configuration. KNbO₃ (KN) nanoneedles have been identified as a promising NLO material because of the superior broadband frequency conversion efficiency, and if incident light is propagating in a direction perpendicular to the axis of a nanoneedle, then the phase‐matching constraint can be relaxed. Here, the second‐harmonic generation (SHG) and third‐harmonic generation (THG) responses of both individual and clustered KN nanoneedles are reported. Based on these results, a novel method is proposed for determining the optimal excitation wavelength for NLO imaging of several biological samples, with KN nanoneedles acting as NLO agents. The method is shown to provide the optical features in the focal plane and a more reliable estimation of the optimal excitation wavelength for deep‐tissue imaging.     

Effects of threshold on single-target detection by using modified amplitude-modulated joint transform correlator

Effects of threshold value on detection performance of the modified amplitude-modulated joint transform correlator are quantitatively studied using computer simulation. Fingerprint and human face images are used as test scenes in the presence of noise and a contrast difference. Simulation results demonstrate that this correlator improves detection performance for both types of image used, but moreso for human face images. Optimal detection of low-contrast human face images obscured by strong noise can be obtained by selecting an appropriate threshold value.