Parameterization of Org27569: An allosteric modulator of the cannabinoid CB1 G protein‐coupled receptor

The cannabinoid CB₁ receptor is a class A G protein‐coupled receptor (GPCR) that is the most widely expressed GPCR in the brain. Many GPCRs contain allosteric binding sites for endogenous and/or synthetic ligands, which are topographically distinct from the agonist‐binding site that is known as the orthosteric site. While both endogenous and synthetic ligands that act at the CB₁ orthosteric site have been known for some time, compounds that act at a CB₁ allosteric site have only recently been discovered. The most studied of these is 5‐chloro‐3‐ethyl‐1H‐indole‐2‐carboxylic acid [2‐(4‐piperidin‐1‐ylphenyl)ethyl]amide (Org27569). Because allosteric ligands are thought to act through conformational changes in the receptor that are transmitted from the allosteric to the orthosteric site, computational studies of the structural and dynamic interactions of Org27569 with the CB₁ receptor are crucial to achieve a molecular level understanding of the basis of action of this important new class of compounds. To date, such computational studies have not been possible due to the lack of a complete set of molecular mechanics force field parameters for Org27569. Here, we present the development of missing CHARMM force field parameters for Org27569 using previously published methods and the validation and application of these new parameters using normal mode analysis and molecular dynamics simulations combined with experimental infrared measurements. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011     

A Novel Approach to All-Optical Generation of Ultra-Wideband Signals

Abstract

The generation of ultra-wideband signals in the optical domain is highly desirable for ultra-wideband-over-fiber systems, which has recently become a topic of interest. In this article, a novel and simple approach to achieve all-optical generation of ultra-wideband signals is proposed, which is based on delaying and superimposing optical Gaussian pulses with opposite polarities. The proposed system is capable of generating both ultra-wideband monocycle and doublet pulses, and the polarity of the generated ultra-wideband monocycle pulses can be fast-switched to implement pulse polarity modulation with the required bit pattern. A model to describe the proposed system is developed, and the generation of ultra-wideband signals is demonstrated with simulations and a proof-of-concept experiment.     

New nanomolar negative modulators of AMPA receptors

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Fast polarisation-insensitive optical shutter supported by backflow in dichroic dye-doped dual-frequency liquid crystal

This paper describes a novel implementation of a dual-frequency liquid crystal optical shutter of the guest–host type. The transmissive state of the filter is obtained by applying a low-frequency electric field that brings the dichroic dye in a homeotropic orientation. The light-absorbing state is realised by a twisted planar configuration for which the absorption is quasi-independent of the polarisation. Switching between the two states occurs in about 1 ms and the devices show no scattering for wavelengths inside or outside the absorption band of the dichroic dye. Simulations and experiments reveal how a twisted state is obtained through the backflow phenomenon.     

用于显示的透射型法布里-珀罗光调制器

提出了一种用于显示的,基于透射型法布里-珀罗干涉的微机电系统(MEMS)光学调制器。基于多光束干涉原理分析了调制器的光学特性,推导出了调制器结构的特征参量。分析表明,当调制器的腔长为cλ/4时,透射光可以实现暗态显示;当调制器的腔长取为零或cλ/2时,透射光可以实现亮态显示。通过控制法布里-珀罗腔长,就可实现调制器的明暗调制。理论上证明了该调制器用于显示的可行性。设计了一种基于微机电系统的透射型法布里-珀罗光学调制器结构,该调制器的理论衬比度达到150。仿真结果表明,该调制器具有2.4 V的低电压静电驱动性能。     

高功率激光装置前端系统激光脉冲的时间整形及修正技术

针对激光惯性约束聚变实验研究对高功率激光驱动器前端系统复杂时间形状种子激光脉冲的需求,应用孔径耦合带状线集成波导整形系统设计了满足需要的前端整形激光脉冲。用一种新方法精确计算了孔径耦合带状线电脉冲整形器的耦合系数和孔径宽度的数值关系,并针对高衬比度整形激光脉冲的需求,提出了高衬比度双极型集成波导整形系统方案。由该系统可以得到100 ps脉冲前沿、1～3 ns脉冲宽度可调、高衬比度(大于100:1)、光滑无纹波调制、可精确满足神光Ⅱ八路及第九路装置需求的前端整形激光脉冲。     

基于微机电系统光栅平动式光调制器实验和优化设计

基于微机电系统(MEMS)的光栅平动式光调制器(光栅平动式光调制器)调制性能的实验研究关系到其进一步应用。设计了光栅平动式光调制器的相干光学信息处理系统实验方案,He-Ne激光器出射的光束经扩束器和准直透射后成为平行光入射光栅平动式光调制器,被测光栅平动式光调制器放置在相干光学信息处理系统的输入面,滤波器在频谱面上,显微镜放大像面上的信号,经CCD在计算机上记录存储;实验结果和理论分析吻合。对光栅平动式光调制器进行方案优化,将可动光栅边框和悬臂梁表面处理成不反光,使可动光栅和下反射镜构成的整个反射面为光栅周期的整数倍。经理论计算,在光栅周期为8μm,光栅占空比为0.5,光栅边距为2μm,周期数为6的条件下,光栅平动式光调制器图像填充率为74.67%,光学效率为81.06%,衬比度大于5000∶1。     

平行排列液晶器件的波前调制特性

设计了一种新型的平行排列液晶相位调制器(LC PM),可在纯相位的模式下进行相位调制,研究了液晶相位调制器的光学特性,理论上给予了分析．对畸变波前进行了调制,在1 cm2的校正面积上,调制后的准确度PV(peak to valley)值接近λ／15(λ=0.6328 μm),RMS(Root Means Square)可达到λ／100,斯特列尔比SR (Strehl Ratio)达到0.989．改变了传统的扭曲向列液晶器件难于进行纯相位调制和得到高准确度调制的缺点,达到了理想的效果.     

在粗糙表面上用液晶空间光调制器进行振动测量

为实现在一段时间内连续实时观测振动物体的全息干涉图形,采用覆盖铝箔的喇叭作为振动物体,利用铝箔原有未经特殊处理表面反射的漫反射光成像,并用光寻址液晶空间光调制器(Liquid crystal-sparial lightmodulator,LC-SLM)作为全息记录载体,来实现振动测量。实验中采用时间平均干涉测量法,得到了不同振动频率下物体的干涉图形。同时在连续改变振动物体的振动频率时,可以清晰地观察到物体振动全息干涉图形的变化过程,即近实时的全息干涉图形。     

新型结构超宽带LiNbO3电光调制器的优化设计

采用有限元软件对新型结构的铌酸锂电光调制器进行了优化设计.分析表明,采用脊波导和T型电极相结合的方式,能在保持高的特征阻抗的同时有效的实现相速匹配和有效降低电极损耗,从而较好的提高器件性能,是一种比较有潜力的调制器.利用优化结果,给出一种带宽达153 GHz,半波电压为8.55 V,特征阻抗为44 Ω的调制器的设计例子.