Local and parallel finite element algorithm for stationary incompressible magnetohydrodynamics

This article presents a local and parallel finite element method for the stationary incompressible magnetohydrodynamics problem. The key idea of this algorithm comes from the two‐grid discretization technique. Specifically, we solve the nonlinear system on a global coarse mesh, and then solve a series of linear problems on several subdomains in parallel. Furthermore, local a priori estimates are obtained on a general shape regular grid. The efficiency of the algorithm is also illustrated by some numerical experiments.© 2017 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 1513–1539, 2017     

A fractional spectral method with applications to some singular problems

In this paper we propose and analyze fractional spectral methods for a class of integro-differential equations and fractional differential equations. The proposed methods make new use of the classical fractional polynomials, also known as Müntz polynomials. We first develop a kind of fractional Jacobi polynomials as the approximating space, and derive basic approximation results for some weighted projection operators defined in suitable weighted Sobolev spaces. We then construct efficient fractional spectral methods for some integro-differential equations which can achieve spectral accuracy for solutions with limited regularity. The main novelty of the proposed methods is that the exponential convergence can be attained for any solution u(x) with u(x ^1/λ ) being smooth, where λ is a real number between 0 and 1 and it is supposed that the problem is defined in the interval (0,1). This covers a large number of problems, including integro-differential equations with weakly singular kernels, fractional differential equations, and so on. A detailed convergence analysis is carried out, and several error estimates are established. Finally a series of numerical examples are provided to verify the efficiency of the methods.     

Bounds for pairs in judicious partitioning of graphs

In 2002, Bollobás and Scott posed the following problem: for an integer and a graph G of m edges, what is the smallest f (k, m ) such that V (G ) can be partitioned into V ₁,…,V _k in which for all , where denotes the number of edges with both ends in ? In this paper, we solve this problem asymptotically by showing that . We also show that V (G ) can be partitioned into such that for , where Δ denotes the maximum degree of G . This confirms a conjecture of Bollobás and Scott. © 2016 Wiley Periodicals, Inc. Random Struct. Alg., 50, 59–70, 2017     

高比能锂离子电池层状富锂正极材料改性策略研究进展

层状富锂材料具有超过250 mAh∙g⁻¹的高可逆比容量,被认为是下一代高比能锂离子电池最具商业化前景的正极材料之一。然而,层状富锂材料在实际应用之前仍需解决诸多挑战,如高电压氧释放、层状到岩盐相的结构变化、过渡金属离子迁移等结构劣化,并由此带来了较低的初始库伦效率、电压/容量的衰减以及循环寿命的不足。针对以上问题,进行层状富锂材料改性无疑是一种行之有效的方法。本综述全面介绍了层状富锂材料的结构、组分以及电化学性能,在此基础上对材料改性策略进行了系统阐述,详细介绍了体相掺杂、表面包覆、缺陷设计、离子交换和微结构调控等一系列改性策略的现状以及发展趋势,最终提出了高容量和长循环层状富锂材料和高比能锂离子电池的设计思路。     

A Compartmentalized Nanoreactor Formed by Interfacial Hydrogelation for Cascade Enzyme Catalytic Therapy

Some cellular enzymatic pathways are located within a single organelle, while most others involve enzymes that are located within multiple compartmentalized cellular organelles to realize the efficient multi-step enzymatic process. Herein, bioinspired by enzyme-mediated biosynthesis and biochemical defense, a compartmented nanoreactor (Burr-NCs@Gl^SOD) was constructed through a self-confined catalysis strategy with burr defect-engineered molybdenum disulfide/Prussian blue analogues (MoS₂/PBA) and an interfacial diffusion-controlled hydrogel network. The specific catalytic mechanism of the laccase-like superactivity induced hydrogelation and cascade enzyme catalytic therapy were explored. The confined hydrogelation strategy introduces a versatile means for nanointerface functionalization and provides insight into biological construction of simulated enzymes with comparable activity and also the specificity to natural enzymes.     

Fused Indacene Dimers

Polycyclic hydrocarbons consisting of two or more directly fused antiaromatic subunits are rare due to their high reactivity. However, it is important to understand how the interactions between the antiaromatic subunits influence the electronic properties of the fused structure. Herein, we present the synthesis of two fused indacene dimer isomers: s-indaceno[2,1-a]-s-indacene ( s -ID ) and as-indaceno[3,2-b]-as-indacene ( as -ID ), containing two fused antiaromatic s-indacene or as-indacene units, respectively. Their structures were confirmed by X-ray crystallographic analysis. ¹H NMR/ESR measurements and DFT calculations revealed that both s -ID and as -ID have an open-shell singlet ground state. However, while localized antiaromaticity was observed in s -ID , as -ID showed weak global aromaticity. Moreover, as -ID exhibited a larger diradical character and a smaller singlet-triplet gap than s -ID . All the differences can be attributed to their distinct quinoidal substructures.     

Design of a Fully Non-Fused Bulk Heterojunction toward Efficient and Low-Cost Organic Photovoltaics

To modulate the miscibility between donor and acceptor materials both possessing fully non-fused ring structures, a series of electron acceptors (A4T-16, A4T-31 and A4T-32) with different polar functional substituents were synthesized and investigated. The three acceptors show good planarity, high conformational stability, complementary absorption and energy levels with the non-fused polymer donor (PTVT-BT). Among them, A4T-32 possesses the strongest polar functional group and shows the highest surface energy, which facilitates morphological modulation in the bulk heterojunction (BHJ) blend. Benefiting from the proper morphology control method, an impressive power conversion efficiency (PCE) of approaching 16.0 % and a superior fill factor over 0.795 are achieved in the PTVT-BT : A4T-32-based organic photovoltaic cells with superior photoactive materials price advantage, which represent the highest value for the cells based on the non-fused blend films. Notably, this cell maintains ≈84 % of its initial PCE after nearly 2000 h under the continuous simulated 1-sun-illumination. In addition, the flexible PTVT-BT : A4T-32-based cells were fabricated and delivered a decent PCE of 14.6 %. This work provides an effective molecular design strategy for the non-fused non-fullerene acceptors (NFAs) from the aspect of bulk morphology control in fully non-fused BHJ layers, which is crucial for their practical applications.     

A Conformational Restriction Strategy for the Control of CRISPR/Cas Gene Editing with Photoactivatable Guide RNAs**

The CRISPR/Cas system is one of the most powerful tools for gene editing. However, approaches for precise control of genome editing and regulatory events are still desirable. Here, we report the spatiotemporal and efficient control of CRISPR/Cas9- and Cas12a-mediated editing with conformationally restricted guide RNAs (gRNAs). This approach relied on only two or three pre-installed photo-labile substituents followed by an intramolecular cyclization, representing a robust synthetic method in comparison to the heavily modified linear gRNAs that often require extensive screening and time-consuming optimization. This tactic could direct the precise cleavage of the genes encoding green fluorescent protein (GFP) and the vascular endothelial growth factor A (VEGFA) protein within a predefined cutting region without notable editing leakage in live cells. We also achieved light-mediated myostatin (MSTN) gene editing in embryos, wherein a new bow-knot-type gRNA was constructed with excellent OFF/ON switch efficiency. Overall, our work provides a significant new strategy in CRISPR/Cas editing with modified circular gRNAs to precisely manipulate where and when genes are edited.