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Abstract The design and synthesis of polyhedra using coordination‐driven self‐assembly has been an intriguing research area for synthetic chemists. Metal‐organic polyhedra are a class of intricate molecular architectures that have garnered significant attention in the literature due to their diverse structures and potential applications. Hereby, we reportCu‐MOP, a bifunctional metal‐organic cuboctahedra built using 2,6‐dimethylpyridine‐3,5‐dicarboxylic acid and copper acetate at room temperature. The presence of both Lewis basic pyridine groups and Lewis acidic copper sites imparts catalytic activity to Cu‐MOP for the tandem one‐pot deacetalization‐Knoevenagel/Henry reactions. The effect of solvent system and time duration on the yields of the reactions was studied, and the results illustrate the promising potential of these metal‐organic cuboctahedra, also known as nanoballs for applications in catalysis. 

Our simulation-based experiments are aimed to demonstrate a use case on the feasibility of fulfillment of global energy demand by primarily relying on solar energy through the integration of a longitudinally-distributed grid. These experiments demonstrate the availability of simulation technologies, good approximation models of grid components, and data for simulation. We also experimented with integrating different tools to create realistic simulations as we are currently developing a detailed tool- chain for experimentation. These experiments consist of a network of model houses at different locations in the world, each producing and consuming only solar energy. The model includes houses, various appliances, appliance usage schedules, regional weather information, floor area, HVAC systems, population, number of houses in the region, and other parameters to imitate a real-world scenario. Data gathered from the power system simulation is used to develop optimization models to find the optimal solar panel area required at the different locations to satisfy energy demands in different scenarios. 

Connecting molecular building blocks by covalent bonds to form extended crystalline structures has caused a sharp upsurge in the field of porous materials, especially covalent organic frameworks (COFs), thereby translating the accuracy, precision, and versatility of covalent chemistry from discrete molecules to two-dimensional and three-dimensional crystalline structures. COFs are crystalline porous frameworks prepared by a bottom-up approach from predesigned symmetric units with well-defined structural properties such as a high surface area, distinct pores, cavities, channels, thermal and chemical stability, structural flexibility and functional design. Due to the tedious and sometimes impossible introduction of certain functionalities into COFs via de novo synthesis, pore surface engineering through judicious functionalization with a range of substituents under ambient or harsh conditions using the principle of coordination chemistry, chemical conversion, and building block exchange is of profound importance. In this review, we aim to summarize dynamic covalent chemistry and framework linkage in the context of design features, different methods and perspectives of pore surface engineering along with their versatile roles in a plethora of applications such as biomedical, gas storage and separation, catalysis, sensing, energy storage and environmental remediation. 

Today’s smart-grids have seen a clear rise in new ways of energy generation, transmission, and storage. This has not only introduced a huge degree of variability, but also a continual shift away from traditionally centralized generation and storage to distributed energy resources (DERs). In addition, the distributed sensors, energy generators and storage devices, and networking have led to a huge increase in attack vectors that make the grid vulnerable to a variety of attacks. The interconnection between computational and physical components through a largely open, IP-based communication network enables an attacker to cause physical damage through remote cyber-attacks or attack on software-controlled grid operations via physical- or cyber-attacks. Transactive Energy (TE) is an emerging approach for managing increasing DERs in the smart-grids through economic and control techniques. Transactive Smart-Grids use the TE approach to improve grid reliability and efficiency. However, skepticism remains in their full-scale viability for ensuring grid reliability. In addition, different TE approaches, in specific situations, can lead to very different outcomes in grid operations. In this paper, we present a comprehensive web-based platform for evaluating resilience of smart-grids against a variety of cyber- and physical-attacks and evaluating impact of various TE approaches on grid performance. We also provide several case-studies demonstrating evaluation of TE approaches as well as grid resilience against cyber and physical attacks. 

With the advent of remarkable development of solar power panel and inverter technology and focus on reducing greenhouse emissions, there is increased migration from fossil fuels to carbon-free energy sources (e.g., solar, wind, and geothermal). A new paradigm called Transactive Energy (TE) [3] has emerged that utilizes economic and control techniques to effectively manage Distributed Energy Resources (DERs). Another goal of TE is to improve grid reliability and efficiency. However, to evaluate various TE approaches, a comprehensive simulation tool is needed that is easy to use and capable of simulating the power-grid along with various grid operational scenarios that occur in the transactive energy paradigm. In this research, we present a web-based design and simulation platform (called a design studio) targeted toward evaluation of power-grid distribution system and transactive energy approaches [1]. The design studio allows to edit and visualize existing power-grid models graphically, create new power-grid network models, simulate those networks, and inject various scenario-specific perturbations to evaluate specific configurations of transactive energy simulations. The design studio provides (i) a novel Domain-Specific Modeling Language (DSML) using the Web-based Generic Modeling Environment (WebGME [4]) for the graphical modeling of power-grid, cyber-physical attacks, and TE scenarios, and (ii) a reusable cloud-hosted simulation backend using the Gridlab-D power-grid distribution system simulation tool [2].