紫色球杆菌视紫红质光谱特性的机器学习研究

近年来，机器学习等人工智能技术被应用于蛋白质工程，其在蛋白质结构、功能预测、催化活性等研究中具有独特优势。在未知蛋白质结构的情况下，将蛋白质序列和功能特性与机器学习相结合，基于序列-活性关系（innovative sequence-activity relationship，ISAR）算法，将蛋白质氨基酸序列数字化，用快速傅里叶变换（fast four transform，FFT）进行预处理，再进行偏最小二乘回归建模，可在数据集较少情况下拟合得到最佳模型。通过机器学习对紫色球杆菌视紫红质（gloeobacter violaceus rhodopsin，GR）的突变体蛋白质氨基酸序列与光谱最大吸收波长进行建模，获得了最佳模型。用最佳索引LEVM760106建模得到的确定系数R² 为0.944，均方误差E为11.64。用小波变换进行的预处理，其R² 虽也约为0.944，但E大于11.64，不及FFT进行的预处理。方法较好地解决了蛋白质序列与功能特性之间的数学建模问题，在蛋白质工程中可为预测更优的突变体提供支持。     

A Shell-by-Shell Approach for Synthesis of Mesoporous Multi-Shelled Hollow MOFs for Catalytic Applications

Over the past two decades, advanced materials with hollow interiors have received significant attention in materials research owing to their great application potential across a vast number of technological fields. Though with great difficulty, multi-shelled hollow metal–organic frameworks (MSHMs) have also been successfully synthesized in recent years. Herein, a rational shell-by-shell soft-templating protocol has been devised to fabricate highly uniform multi-shelled hollow cobalt-imidazole-based MOF (ZIF-67). For the first time, it has become possible to endow mesoporosity to this new type of functional material (i.e., mesoporous MOFs). When used as carrier materials in catalytic reactions, in principle, these mesoporous MSHMs with high surface area not only improve the dispersity of metal nanoparticles (NPs), but also efficiently facilitate the mass diffusion of the reactions, resulting in enhanced catalyst activity. Moreover, the obtained MSHMs/M nanocomposites serve as base-metal bifunctional catalysts for one-pot oxidation-Knoevenagel condensation cascade reaction, in which the MSHMs itself serves as a pristine active catalyst in addition to its role of catalyst support. The results demonstrate that excellent multifunctional catalysts can be achieved via preparing intrinsically microporous bulk MOFs into extrinsically mesoporous MSHMs which possess many structural merits that conventional bulk MOFs do not have.     

Planar AIEgens with Enhanced Solid-State Luminescence and ROS Generation for Multidrug-Resistant Bacteria Treatment

Planar luminogens have encountered difficulties in overcoming intrinsic aggregation-caused emission quenching by intermolecular π-π stacking interactions. Although excited-state double-bond reorganization (ESDBR) can guide us on designing planar aggregation-induced emission (AIE) luminogens (AIEgens), its mechanism has yet been elucidated. Major challenges in the field include methods to efficiently restrict ESDBR and enhance AIE performance without using bulky substituents (e.g., tetraphenylethylene and triphenylamine). In this study, we rationally developed fluoro-substituent AIEgens with stronger intermolecular H-bonding interaction for restricted molecular motions and increased crystal density, leading to decreased nonradiative decay rate by one order of magnitude. The adjusted ESDBR properties also show a corresponding response to variation in viscosity. Furthermore, their aggregation-induced reactive oxygen species (ROS) generations have been discovered. The application of such planar AIEgen in treating multidrug-resistant bacteria has been demonstrated in a mouse model. The relationship between ROS generation and distinct E/Z-configurational stacking behaviors have been further understood, providing a design principle for synthesizing planar AIEgen-based photosensitizers.     

应力对M-Z型InP/InGaAsP-EAM偏振

采用Agilent 81910A光子全参量测试仪,首次实验研究了InP/In1－xGaxAs1－yPy-MQW（Multiple-Quantum-Well,MQW）材料与衬底间因应力而产生的M-Z型光调制器的PDL影响以及由此引起的由差分群时延(Differential Group Delay,DGD)表征的偏振模色散(Polarization Mode Dispersion,PMD).研究结果表明,半导体MQW光调制器的PDL与DGD是一致的.因此在半导体光器件的制作过程中,应尽可能地减小衬底与波导芯层之间的因残存应力的存在造成对光器件的高速性能的不利影响.     

Sparse polynomials, redundant bases, gauss periods, and efficient exponentiation of primitive elements for small characteristic finite fields

Gauss periods give an exponentiation algorithm that is fast for many finite fields but slow for many other fields. The current paper presents a different method for construction of elements that yield a fast exponentiation algorithm for finite fields where the Gauss period method is slow or does not work. The basic idea is to use elements of low multiplicative order and search for primitive elements that are binomial or trinomial of these elements. Computational experiments indicate that such primitive elements exist, and it is shown that they can be exponentiated fast.     

SBIRS-HIGH对导弹上升段位置测量精度及中末段位置预报精度的分析

根据目前的技术水平分析了高空天基红外系统(SBIRS-HIGH)的技术参数;理论上计算了SBIRS-HIGH对导弹上升段的位置测量精度以及中末段任意时刻飞行位置的预报精度;研究了SBIRS-HIGH对中段和末端导弹拦截系统的导引能力。     

推广x重新标度模型的重标度参数经验公式

给出了推广x重新标度模型的重标度参数经验公式,其中建立了重标度参数与原子核的平均结合能之间的联系,由该公式可以得出A≥12的所有核的重标度参数值,利用这些参数值可以计算有关核过程并做出预言.     

叶型优化在非定常流动条件下效果的数值分析

本文对叶型优化在非定常流动条件下的效果进行数值研究。叶型优化基于比较成熟的在定常流动条件下的反问题解法，非定常流动则考虑到动静叶栅之间的相互作用，非定常流动的求解在Ｎ－Ｓ方程的基础上采用分区计算的方法来完成。数值计算的结果表明，定常流动条件下优化得到的叶型在非定常流动条件下同样具有较好的气动性能。     

曲轴箱窜气量检测仪的研制

介绍了车用压差式气体流量传感器的结构设计和电测电路，指出了传感器的使用范围，由实验测出了特性曲线．该仪器可检测车用发动机曲轴箱窜气量，适用于发动机不解体故障诊断．