Identification of Novel Fragments Binding to the PDZ1-2 Domain of PSD-95

Inhibition of PSD-95 has emerged as a promising strategy for the treatment of ischemic stroke, as shown with peptide-based compounds that target the PDZ domains of PSD-95. In contrast, developing potent and drug-like small molecules against the PSD-95 PDZ domains has so far been unsuccessful. Here, we explore the druggability of the PSD-95 PDZ1-2 domain and use fragment screening to investigate if this protein is prone to binding small molecules. We screened 2500 fragments by fluorescence polarization (FP) and validated the hits by surface plasmon resonance (SPR), including an inhibition counter-test, and found four promising fragments. Three ligand efficient fragments were shown by ¹H,¹⁵N HSQC NMR to bind in the small hydrophobic P⁰ pockets of PDZ1-2, and one of them underwent structure-activity relationship (SAR) studies. Overall, we demonstrate that fragment screening can successfully be applied to PDZ1-2 of PSD-95 and disclose novel fragments that can serve as starting points for optimization towards small-molecule PDZ domain inhibitors.     

Synthesis of Hollow Three-Dimensional Channels LiNi_(0.5)Mn_(1.5)O_4 Microsphere by PEO Soft Template Assisted with Solvothermal Method

A appropriate size with three-dimension(3 D) channels for lithium diffusion plays an important role in constructing highperforming LiNi_(0.5)Mn_(1.5)O_4(LNMO) cathode materials, as it can not only reduce the transport path of lithium ions and electrons, but also reduce the side effects and withstand the structural strain in the process of repetitive Li~+ intercalation/deintercalation. In this work, an e fficient method for designing the hollow LNMO microsphere with 3 D channels structure by using polyethylene oxide(PEO) as soft template agent assisted solvothermal method is proposed. Experimental results indicate that PEO can make the reagents mingle evenly and nucleate slowly in the solvothermal process, thus obtaining a homogeneous distribution of carbonate precursors. In the final LNMO products, the hollow 3 D channels structure obtained by the decomposition of PEO and carbonate precursor in the calcination can provide abundant electroactive zones and electron/ion transport paths during the charge/discharge process, which benefits to improve the cycling performance and rate capability. The LNMO prepared by adding 1 g PEO possesses the most outstanding electrochemical performance, which presented an excellent discharge capacity of 143.1 mAh g~(-1) at 0.1 C and with a capacity retention of 92.2% after 100 cycles at 1 C. The superior performance attributed to the 3 D channels structure of hollow microspheres, which provide uninterrupted conductive systems and therefore achieve the stable transfer for electron/ion.     

Multilayer Si@SiOx@void@C anode materials synthesized via simultaneously carbonization and redox for Li-ion batteries

In the development of high-performance lithium-ion batteries (LIBs), the composition and structure of electrode materials are of critical importance. Silicon has a theoretical specific capacity 10 times that of graphite, nonetheless, its application as an anode material confronts challenge as it undergoes huge volume change and pulverization amidst the alloying and dealloying processes. Herein, a novel method to prepare a multilayer Si-based anode was proposed. Three layers, SiO₂, nickel and triethylene glycol (TEG), were coated successively on Si nanoparticles, which served respectively as the sources of SiO_x, sacrificial templates and carbon. Nickel can not only serve as a hollow template, but also play a catalytic role, which makes carbonization and redox reactions occur synchronously under a mild condition. Amid the carbonization process of TEG at 450 °C, several-nm-thick SiO₂ layer can react with the as-derived carbon to form a silicon suboxides (SiO_x (0 < x < 2)) intermedium layer. After removing the nickel template, a micro-nano scaled Si@SiO_x@void@C with conformal multilayer-structure can be obtained. The BET specific surface area and pore volume of powders were increased dramatically because of the derivation of abundant voids, which can not only buffer the swelling effect of silicon, but also provide richer ionic conductivity. The as-assembled half-cell with Si@SiOx@void@C as the anode material possesses high capacity (～1000 mAh g^?1 at 3 A g^?1), long cycle life (300 cycles with 77% capacity retention) and good rate performance (558 mAh g^?1 at 5 A g^?1).     

Policy translation and configuration using dynamic template

To solve the problem of complex,cumbersome and error-prone configuration of security devices caused by the heterogeneous configuration modes in complex networks,a dynamic template-based scheme for translating and configuring policy was proposed.In detail,considering the code’s features,the code-based template for translating policies was constructed to configure the command line conversion,and the keyword comparison method was used to ensure the accuracy of policy configuration.Experiments show that the scalability and the accuracy of the proposed scheme.     

An enhancement algorithm based on adaptive updating template with Gaussian model for Si3N4 ceramic bearing roller surface defects detection

The method based on machine vision image processing is used to detect the surface defects of Si₃N₄ bearing roller. Owing to the variety of defects, small area and low contrast, it is easy to miss or error detection. In this paper, an adaptive update template defect enhancement algorithm based on Gaussian model is proposed. First, a large number of surface images of Si₃N₄ bearing roller are collected to obtain the non-defect background statistical feature, and the background characteristic curve is fitted by Gaussian model. Further, the initial background template is gained according to the Gaussian curve. Then, combined with the gray distribute of defect images and initial background template, unique adaptive update template can be established. Finally, subtraction operation and nonlinear enhancement are used to improve the comparison of defect information and background. Through inverse sorting, adaptive threshold segmentation and Canny operation, the precise positioning of defects is realized. The enhancement algorithm can effectively enhance the contrast and eliminate the influence of noise. The average detection time is 0.84s, and the detection accuracy is 96.2%.     

Using deep learning to combine static and dynamic power analyses of cryptographic circuits

Side-channel attacks have shown to be efficient tools in breaking cryptographic hardware. Many conventional algorithms have been proposed to perform side-channel attacks exploiting the dynamic power leakage. In recent years, with the development of processing technology, static power has emerged as a new potential source for side-channel leakage. Both types of power leakage have their advantages and disadvantages. In this work, we propose to use the deep neural network technique to combine the benefits of both static and dynamic power. This approach replaces the classifier in template attacks with our proposed long short-term memory network schemes. Hence, instead of deriving a specific probability density model for one particular type of power leakage, we gain the ability of combining different leakage sources using a structural algorithm. In this paper, we propose three schemes to combine the static and dynamic power leakage. The performance of these schemes is compared using simulated test circuits designed with a 45-nm library.     

Engineering the Structure of Mesoporous Bioactive Glass Microspheres by the Surface Effect of Inverse Opal Templates and Temperature

The interactions of ions and molecules with material surface are highly dependent on the surface properties of the material. Therefore, the distribution of ions or molecules near the material surface may be affected by the surface properties. This phenomenon can be significant enough for controlling the structure of a material synthesized in the sub‐micrometer scale confinement space of a template. This work confirms that inverse opals are perfect templates for offering confinement space, while their different surface properties can strongly affect ion and block copolymer distribution in the confinement space. This surface effect principle can be used for the controlled synthesis of colloids with complex composition. As an example, four kinds of mesoporous magnetic bioactive glass colloids with ordered mesopores, core–shell structure, open surface pores, or disordered mesopores are prepared by using polystyrene and carbon inverse opal templates. This work reveals that inverse opal templates possess great advantage in controlled synthesizing colloidal structures due to their surface effect on ions and molecules and confinement space.     

Co纳米线阵列的掠入射中子小角散射研究

本文采用掠入射中子小角散射（GISANS）技术，研究了沉积在多孔阳极氧化铝（AAO）模板中的Co磁性纳米线阵列的空间结构，利用计算机软件对GISANS实验进行了理论模拟，并与扫描电子显微镜（SEM）观察的结果进行比较。结果表明，GISANS实验结果、GISANS理论模拟结果和SEM实验结果三者相吻合。纳米线直径约为60 nm，纳米线中心平均距离约为121 nm，垂直于样品表面相互平行排列，在样品平面内呈现出二维局域六角有序排布。本工作证明了GISANS实验技术结合计算机理论模拟，是研究纳米线阵列及类似纳米体系的有力手段。     

One‐Step Construction of N,P‐Codoped Porous Carbon Sheets/CoP Hybrids with Enhanced Lithium and Potassium Storage

Despite the desirable advancement in synthesizing transition‐metal phosphides (TMPs)‐based hybrid structures, most methods depend on foreign‐template‐based multistep procedures for tailoring the specific structure. Herein, a self‐template and recrystallization–self‐assembly strategy for the one‐step synthesis of core–shell‐like cobalt phosphide (CoP) nanoparticles embedded into nitrogen and phosphorus codoped porous carbon sheets (CoP?NPPCS), is first proposed. Relying on the unusual coordination ability of melamine with metal ions and the cooperative hydrogen bonding of melamine and phytic acid to form a 2D network, a self‐synthesized single precursor can be attained. Importantly, this approach can be easily expanded to synthesize other TMPs?NPPCS. Due to the unique compositional and structural characteristics, these CoP?NPPCSs manifest outstanding electrochemical performances as anode materials for both lithium‐ and potassium‐ion batteries. The unusual hybrid architecture, the high specific surface area, and porous features make the CoP?NPPCS attractive for other potential applications, such as supercapacitors and electrocatalysis.     

Carbon nanotube filter for heavy metal ion adsorption

This study investigated carbon nanotube filtration technology using catalyst particles supported on silicalite-1–biomorphic carbon materials (BCMs). Aqueous solutions of Mn(II), Cu(II), Cr(III), Cd(II), and Pb(II) were used to test the efficiency of heavy metal ions removal. Carbon nanotubes (CNTs) were synthesized and grown on BCMs by the chemical vapor deposition method catalyzed with the catalyst (Co, Fe, and Ni). The synthesized CNTs with Co– and Fe– nanoparticles were typically multi-walled carbon nanotubes, and they showed good crystallinity (I_D/I_G = 1.05) and yield of (11.10 and 8.86) %. The removal efficiency of Mn(II), Cu(II), Cr(III), Cd(II), and Pb(II) ions using Co-catalyzed CNT filter was 97.57%, 98.01%, 97.89%, 97.42%, and 99.99%, respectively.