Comprehensive and High-Throughput Exploration of Chemical Space Using Broadband 19F NMR-Based Screening

Fragment-based lead discovery has become a fundamental approach to identify ligands that efficiently interact with disease-relevant targets. Among the numerous screening techniques, fluorine-detected NMR has gained popularity owing to its high sensitivity, robustness, and ease of use. To effectively explore chemical space, a universal NMR experiment, a rationally designed fragment library, and a sample composition optimized for a maximal number of compounds and minimal measurement time are required. Here, we introduce a comprehensive method that enabled the efficient assembly of a high-quality and diverse library containing nearly 4000 fragments and screening for target-specific binders within days. At the core of the approach is a novel broadband relaxation-edited NMR experiment that covers the entire chemical shift range of drug-like ¹⁹F motifs in a single measurement. Our approach facilitates the identification of diverse binders and the fast ligandability assessment of new targets.     

大型光学元件中的横向受激布里渊散射

研究大型光学元件中横向受激布里渊散射的特点和破坏机制,以及横向受激布里渊散射的抑制方案。在理论分析的基础上,进行数值模拟。当入射光强足够高,材料的横向尺寸足够大时,在受激散射过程中产生的弹性声波场有可能超出材料的抗拉强度,从而引起力学破坏;增加泵浦光带宽可以显著降低散射光的增益。强激光辐照下的大尺寸光学元件中很容易激发横向受激布里渊散射;对于大多数强激光系统,20GHz的带宽已经足以抑制TSBS带来的影响。     

纳米多孔氮化铌薄膜红外宽带光响应特性

具有超导绝缘相变特性的纳米多孔超导薄膜在红外光电探测领域有着潜在的应用价值,而其在红外波段的宽带光响应特性研究目前尚未见报道.为此,本文以纳米多孔氮化铌(NbN)薄膜为主要对象,研究了其在780—5000nm的近、中红外波长范围内的光响应特性.首先,采用Drude模型拟合的方法,不仅将对实验数据拟合的精度提高了约17%,而且得到了中红外波段的NbN光学参数;进而,采用时域有限差分法分析了加载纳米多孔NbN薄膜的背面对光器件的光响应特性,并给出了能够将纳米多孔薄膜简化为均匀薄膜的Bruggeman等效模型,从而可以将纳米多孔NbN薄膜光响应特性的仿真维度由三维降为一维;最后,基于等效模型和传输矩阵法,对加载纳米多孔NbN薄膜的背面对光器件在近、中红外波段内的光吸收特性进行了优化设计.结果表明:一方面,使用Bruggeman等效模型简化设计过程并不会影响最终结果的正确性;另一方面,仅仅是加载较为简单的光学腔,即可使得探测器的薄膜光吸收率在近、中红外宽带设计时均大于82%,在近红外双波长设计时均大于93.7%,并且多孔薄膜结构具有天然的极化不敏感特性.     

基于时间控厚离子束溅射技术的宽带减反膜制备

 为了制备满足设计要求的宽角度、宽波段减反膜,利用离子束溅射沉积技术,在时间-功率控厚的模式下,对膜层沉积速率进行了精确修正。在实验中,利用时间-功率控厚的离子束溅射沉积技术,选择HfO₂和SiO₂作为高低折射率组合,在超抛ZF6玻璃基底上制备了宽角度、宽带减反膜,通过对实验后的透过率光谱曲线的数值反演计算,获得膜层厚度修正系数,初步得到了沉积速率随沉积时间变化的规律。利用修正后的沉积参数制备设计的膜系,在0°~30°入射角度下,600~1 200 nm波段的平均透过率达到99%以上。     

宽频带海洋环境噪声矢量场空间相关特性建模

基阵的信噪比增益与噪声场空间特性密切联系,海洋环境噪声空间特性建模始终是水声学研究的热门问题.声纳功能不同,其工作频段和带宽通常也不相同,因此,任意频带噪声场的空间相关系数对声纳系统设计具有重要参考价值.依据海洋环境噪声场的产生过程,在高频近似条件下,本文提出一种噪声场时域建模方法,给出了水平分层介质中表面噪声时域声压和质点振速的积分表示,为噪声矢量场宽带模型的建立奠定了基础.根据风成噪声谱结构,数值计算了不同频带、不同谱斜率的噪声场空间相关系数,揭示了带宽、谱结构对风成噪声空间特性的影响规律.随着阵元间距和带宽增大,噪声矢量场各分量的空间相关系数的振荡周期数逐渐减少,振荡幅度逐渐减小,这是由于噪声场相关系数频域平均的结果.当谱斜率小于零时,宽频带噪声场的空间相关半径大于窄带噪声场的相关半径,这是由于低频段噪声起主要贡献的结果,实测海洋环境噪声声压场竖直方向空间相关特性变化规律与理论结果一致.本文模型对换能器成阵技术研究以及环境参数反演具有潜在应用前景.     

Dye induced great enhancement of broadband reflection from polymer stabilized cholesteric liquid crystals

A series of polymer stabilized cholesteric liquid crystals (PSCLCs) films were prepared from cholesteric liquid crystal (Ch‐LC) mixtures containing different components such as non‐reactive LC monomer, polymerizable monomer, chiral dopant, dye, and photoinitiator upon polymerization. The influence of the polymerizable monomer and dye of Ch‐LC mixtures on the reflection properties was investigated. The reflection bandwidth for all the samples can be increased by photo‐polymerization, and the network upon polymerization derived from two different polymerizable monomers with both one and two functional groups is more effective than that from one polymerizable monomer for broadening the reflection band. Especially, a dye‐doped Ch‐LC film can reflect incident light with the bandwidth over the wavelength range of 550–2350 nm, which is due to a greater pitch gradient formed inside of Ch‐LC film. The gradient pitch network structure was firstly demonstrated by scanning electron microscopy (SEM) with the film prepared from high diacrylate monomer concentration and subsequently proved by using a wash‐out/refill method. The nematic liquid crystals monomers was infiltrated into the polymer network that was prefabricated by removing the low molar weight LCs from the original PSCLCs film, and SEM exhibited the existence of a pitch gradient across the film thickness. The refilled nematic liquid crystals film showed broadband reflection after polymerzition, too. Copyright © 2011 John Wiley & Sons, Ltd.     

碲掺杂钙-铝-锗酸盐玻璃宽带近红外发光及其调控机理

可调宽带近红外发光材料作为红外光源和可调谐光纤激光器核心组件,在高容量光纤通信、成像和遥感等现代技术中发挥着至关重要的作用.本文研究了碲掺杂钙-铝-锗酸盐玻璃的宽带近红外发光性能调控方案及其机理.通过引入碳构建还原气氛,还原TeO2原料为碲原子;再优化CaO、Al2 O3含量,调整碲掺杂钙-铝-锗酸盐玻璃中碲拓扑笼的结...     

An optical fibre sensor for the measurement of pressure

This paper describes the design, construction and testing of a fibre optic pressure sensor based on a reflecting Fabry-Perot etalon. The etalon comprised one fixed mirror and a second mirror designed to flex under the action of the pressure being monitored. A single multimode fibre was used to connect the passive, remote sensor to the transmitter/receiver section, and dual wavelength referencing was used to eliminate the effects of bending-induced attenuation in the fibre.     

基于集总元件的低频宽带超材料吸波体设计与实验研究

提出一种基于集总元件的超材料吸波体结构设计, 并进行了理论分析和实验验证. 仿真结果表明, 该吸波体在2.5 GHz到4.46 GHz的低频带内具有吸收率超过95%、半高宽达到70.4%的良好吸收特性. 反演计算得到的等效输入阻抗表明集总元件的加入可以使该结构在较宽的频率范围内有较好的阻抗匹配特性, 介质表面能量损耗分布的模拟计算结果说明能量主要损耗在了集总电阻中, 从而实现低频宽带的吸收特性. 制备了实验样品并用自由空间法进行测试, 测试结果与模拟结果符合得较好. 进一步的实验测试结果表明FR4基板的厚度对该吸波体的吸收特性有明显的调控作用, 且对于固定参数的结构存在最佳匹配厚度. 关键词： 集总元件 超材料吸波体 低频 宽带     

准分子宽带泵浦碱金属激光器实现铷激光输出

采用自主搭建的光学参量振荡器作为泵浦源:脉宽15 ns,脉冲能量10 mJ,中心波长756.3 nm,谱宽0.5 nm;增益介质为Rb-Ar混合气体,封装于长75 mm的吸收池内,常温下Ar的含量为67 kPa,开展了出光实验。在温度为136 ℃时,实现了780 nm铷激光输出。