Activity-Directed Synthesis: A Flexible Approach for Lead Generation

Activity-directed synthesis (ADS) is a structure-blind, functional-driven molecular discovery approach. In this Concept, four case studies highlight the general applicability of ADS and showcase its flexibility to support different medicinal chemistry strategies. ADS deliberately harnesses reactions with multiple possible outcomes, and allows many chemotypes to be evaluated in parallel. Resources are focused on bioactive molecules, which emerge in tandem with associated synthetic routes. Some of the future challenges for ADS are highlighted, including the realisation of an autonomous molecular discovery platform. The prospects for ADS to become a mainstream lead generation approach are discussed.     

Delay compensated control of the Stefan problem and robustness to delay mismatch

This paper presents a control design for the one‐phase Stefan problem under actuator delay via a backstepping method. The Stefan problem represents a liquid‐solid phase change phenomenon which describes the time evolution of a material's temperature profile and the interface position. The actuator delay is modeled by a first‐order hyperbolic partial differential equation (PDE), resulting in a cascaded transport‐diffusion PDE system defined on a time‐varying spatial domain described by an ordinary differential equation (ODE). Two nonlinear backstepping transformations are utilized for the control design. The setpoint restriction is given to guarantee a physical constraint on the proposed controller for the melting process. This constraint ensures the exponential convergence of the moving interface to a setpoint and the exponential stability of the temperature equilibrium profile and the delayed controller in the norm. Furthermore, robustness analysis with respect to the delay mismatch between the plant and the controller is studied, which provides analogous results to the exact compensation by restricting the control gain.     

基于多元神经网络融合的分布式资源空间文本分类研究

针对实体产业对科技资源的服务需求,以服务效应作为资源文本分类标准,提出一种基于多元神经网络融合的分布式资源空间文本分类模型。设计了包含词嵌入层、卷积层、双向门控循环单元层、注意力机制层和softmax层的多元神经网络通路;在此基础上采用基于需求—效应—资源分类策略,完成了从定性科技资源需求到定量资源服务效应求解,再到定性科技资源输出的映射变换,重点解决了分布式科技资源局部和全局语义特征形式多样、文本长距离依赖特征显著、重要资源信息难以准确识别的问题,进而从分布式科技资源空间中快速准确地获取效应知识,提升实体产业产品研发效率和创新能力;通过万方专利科技资源数据集验证了所提方法的可行性和有效性,为更加全面地挖掘资源文本特征和按需服务实体产业提供了一种新的思路和手段。     

Doping-free hybrid white organic light-emitting diodes with fluorescent blue,phosphorescent green and red emission layers

Industrialized white organic light-emitting diodes (OLEDs) currently require host-guest doping, a complicated process necessitating precise control of the guest concentration to get high efficiency and stability. Two doping-free, hybrid white OLEDs with fluorescent blue, and phosphorescent green and red emissive layers (EMLs) are reported in this work. An ultra-thin red phosphorescent EML was situated in a blue-emitting electron transport layer (ETL), while the ultra-thin green phosphorescent EML was placed either in the ETL (Device 1), or the hole transport layer (HTL) (Device 2). Device 2 exhibits higher efficiency and more stable spectrum due to the enhanced utilization of excitons by ultra-thin green EML at the exciton generation zone within the HTL. Values of current efficiency (CE), power efficiency (PE), and CRI obtained for the optimized hybrid white OLEDs fabricated through a doping-free process were of 23.2 cd/A, 20.5 lm/W and 82 at 1000 cd/m², respectively.     

CuInS2/SiNWs/Si composite material for application as potential photoelectrode for photoelectrochemical hydrogen generation

This work aims at developing a new composite material based on nanosized semiconducting CuInS₂ (CIS) particles combined with silicon nanowires grown on a silicon substrate (SiNWs/Si) for photoelectrochemical (PEC)-splitting of water. The CIS particles were prepared via a colloidal method using N-methylimidazole (NMI) as the solvent and an annealing treatment. The SiNWs were obtained by chemical etching of silicon (100) substrates assisted by a metal. The CIS/SiNWs/Si composite material was obtained by deposition of an aliquot of a suspension of CIS particles onto the SiNWs/Si substrate, using spin coating followed by a drying step. The XRD pattern demonstrated that CuInS₂ grows in the tetragonal/chalcopyrite phase, while SiNWs/Si presents a cubic structure. The SEM images show semi-spherical particles (～10 nm) distributed on the surface of silicon nanowires (～10 μm). The EIS measurements reveal n-type conductivity for CIS, SiNWs/Si and CIS/SiNWs/Si materials, which could favour the oxidation reaction of water molecules.     

Distributed learning consensus control based on neural networks for heterogeneous nonlinear multiagent systems

This paper considers a novel distributed iterative learning consensus control algorithm based on neural networks for the control of heterogeneous nonlinear multiagent systems. The system's unknown nonlinear function is approximated by suitable neural networks; the approximation error is countered by a robust term in the control. Two types of control algorithms, both of which utilize distributed learning laws, are provided to achieve consensus. In the provided control algorithms, the desired reference is considered to be an unknown factor and then estimated using the associated learning laws. The consensus convergence is proven by the composite energy function method. A numerical simulation is ultimately presented to demonstrate the efficacy of the proposed control schemes.     

Geothermal energy utilization trends from a technological paradigm perspective

The use of geothermal energy and its associated technologies has been increasing worldwide. However, there has been little paradigmatic research conducted in this area. This paper proposes a systematic methodology to research the development trends for the sustainable development of geothermal energy. A novel data analysis system was created to research the geothermal energy utilization trends, and a technological paradigm theory was adopted to explain the technological changes. A diffusion velocity model was used to simulate and forecast the geothermal power generation development in the diffusion phase. Simulation results showed that the development of installed capacity for geothermal generation had a strong inertia force along with the S-curve. Power generation from geothermal power sources reached a peak in 2008 and is estimated to be saturated by 2030. Geothermal energy technologies in hybrid power systems based on other renewable energy sources look to be more promising in the future.