“数字信号处理”课程的几何视角

“数字信号处理”的经典课程体系以“系统”为中心，以离散时间傅立叶变换、z变换和离散傅立叶变换为分析工具，以滤波器设计为目的，注重定理和公式推导及其性质分析，很难让学生建立一个形象的、完整统一的知识体系框架。本文从几何视角将 “系统”化和“代数”化的经典课程体系重构为面向“信号”的“几何”知识体系，从而提升学生对本质问题的“洞察力”，帮助学生建立系统的知识体系。     

农村综合能源系统多层协同优化运行方法

农村综合能源系统通过多种能源的协同互补,在满足农村用户多元化用能需求的同时,能有效提升能源利用效率和用能经济性。首先,在考虑适应农村典型场景的基础上,提出了一种三层协同自律的农村综合能源分层协同运行优化框架。然后,基于农村综合能源系统典型设备,建立了三层农村综合能源系统源-储-荷联合优化调度模型以及相应的优化调度流程。调度模型中冬季通过对沼气发电机组的余热回收与空气源热泵协同对用户供热;夏季对沼气发电机组余热进行回收,并通过溴化锂制冷机与空气源热泵联合对农村用户供冷。最后,对农村综合能源系统多层协同优化方法进行了算例分析,结果表明该优化方法提高了农村居民用能的经济性,验证了所提方法的有效性。     

Synthesis of hollow Fe,Co, and N-doped carbon catalysts from conducting polymer-metal-organic-frameworks core-shell particles for their application in an oxygen reduction reaction

Oxygen reduction reaction (ORR), one of the key reactions for fuel cells and zinc-air batteries, should be improved for higher performance. Herein, we fabricated hollow Fe, Co, and nitrogen co-doped carbon (H-FeCo-NC) catalyst, which was prepared by carbonization of core-shell particles made of polypyrrole (PPy)-coated polystyrene (PS) spheres as cores and (Zn, Co) bimetallic-zeolitic imidazolate frameworks (ZnCoBZIFs) as shells. PPy was used as a nitrogen and a carbon source. The H-FeCo-NC catalyst had a high surface area of 324.08 m² g^?1 with uniformly distributed Fe and Co species, and excellent ORR performance with the half-wave potential of 0.888 V vs. reversible hydrogen electrode in alkaline media. Furthermore, the H-FeCo-NC catalyst demonstrated exceptional stability, durability, and tolerance to methanol crossover.     

Design of frameworks for self-adaptive service-oriented applications: A systematic analysis

Self-adaptive service-oriented Applications (Self-Apps) must be able to understand themselves or the environment in which they are executed, and propose solutions to meet changing conditions. The development of these applications is not a trivial task, since it encompasses issues from different research areas. Despite the importance of frameworks for Self-Apps, there is a lack of comprehensive analysis of how the design of such applications is performed, and regarding the standardization of concepts and coverage of minimum requirements for Self-Apps. The main contribution of this article is to present this comprehensive analysis, providing the state of the art for this subject. This analysis was built through a Systematic Mapping Study, based on a total of 65 studies, from which we identify the main attributes for Quality of Service (QoS), search strategies, and service management strategies employed in the design of frameworks for Self-Apps. The main aspects of requirements involved in the design of Self-Apps were pointed out to stakeholders. For example, these applications must implement a method for evaluation of QoS based on metrics. We also put forward the S-Frame, a modular solution that brings together the main features for the design of Self-Apps, and describe the main challenges concerning these applications.     

Molecular fingerprint and machine learning to accelerate design of high-performance homochiral metal–organic frameworks

Computational screening was employed to calculate the enantioseparation capabilities of 45 functionalized homochiral metal–organic frameworks (FHMOFs), and machine learning (ML) and molecular fingerprint (MF) techniques were used to find new FHMOFs with high performance. With increasing temperature, the enantioselectivities for (R,S)-1,3-dimethyl-1,2-propadiene are improved. The “glove effect” in the chiral pockets was proposed to explain the correlations between the steric effect of functional groups and performance of FHMOFs. Moreover, the neighborhood component analysis and RDKit/MACCS MFs show the highest predictive effect on enantioselectivities among the four ML classification algorithms with nine MFs that were tested. Based on the importance of MF, 85 new FHMOFs were designed, and a newly designed FHMOF, NO₂-NHOH-FHMOF, with high similarity to the optimal MFs achieved improved chiral separation performance, with enantioselectivities of 85%. The design principles and new chiral pockets obtained by ML and MFs could facilitate the development of new materials for chiral separation.     

Exploring Molecular Contacts of MUC1 at CIN85 Binding Interface to Address Future Drug Design Efforts

The modulation of protein-protein interactions (PPIs) by small molecules represents a valuable strategy for pharmacological intervention in several human diseases. In this context, computer-aided drug discovery techniques offer useful resources to predict the network of interactions governing the recognition process between protein partners, thus furnishing relevant information for the design of novel PPI modulators. In this work, we focused our attention on the MUC1-CIN85 complex as a crucial PPI controlling cancer progression and metastasis. MUC1 is a transmembrane glycoprotein whose extracellular domain contains a variable number of tandem repeats (VNTRs) regions that are highly glycosylated in normal cells and under-glycosylated in cancer. The hypo-glycosylation fosters the exposure of the backbone to new interactions with other proteins, such as CIN85, that alter the intracellular signalling in tumour cells. Herein, different computational approaches were combined to investigate the molecular recognition pattern of MUC1-CIN85 PPI thus unveiling new structural information useful for the design of MUC1-CIN85 PPI inhibitors as potential anti-metastatic agents.     

Enhanced photoreactivity of MOFs by intercalating interlayer bands via simultaneous ?NCO and ?SCu modification

Herein, we propose a novel method to enhance the photoreactivity of an MOF catalyst by grafting isocyanate bonds ( NCO) and sulfhydryl-complexed copper ( SCu) onto ZIF-8 (NIF-SCu). The grafting process intercalated interlayer bands between the conduction and valence bands of ZIF-8, thereby providing a “ladder” for facile electron transition. The extreme improvement in the photoreactivity of NIF-SCu could be attributed to the enhancement in light responses in the range of 350–450 nm by  NCO groups and the widening of the visible light range of the MOF by  SCu groups. The formation of staggered energy levels in NIF-SCu could also narrow the band gap, lower the resistance, and facilitate the transfer of photogenerated carriers, thereby generating electrons with strong reduction potential in the  SCu conduction band. This study provides a new strategy for improving or even endowing the photoactivity of environmental functional materials with wide bandgaps.     

Domain reversal and current transport property in BiFeO3 films

The electrical properties and domain reversal in BiFeO₃ ferroelectric films were studied using sandwiched heterostructures and piezoresponse force microscopy. A robust polarization state was observed, combined with a switchable domain pattern and a remanent polarization of approximately 100 μC cm^?2. In addition, domain reversal was explored using scanning probe microscopy. The results show that dipoles could be reversed along the direction of the electric field under a negative tip bias, leading to carrier gathering near the domain walls. The enhanced conductivity near the domain walls was owing to the discontinuous polarization boundary conditions. In addition, typical diode-like current transport properties are sensitive to various temperature conditions, which is attributed to the Schottky barriers at the contact interface. These findings extend the current understanding of domain texture reversal in ferroelectric films and shed light on their potential applications for future ferroelectric random-access memory operations over a wide temperature range.