Rational Design of Two-Dimensional Magnetic Chromium Borides Based on First-Principles Calculation

Two-dimensional(2D) magnetic materials have been experimentally recognized recently,however,the Curie temperatures(TC) of known 2D systems are quite low.Generally,magnetic systems can be seen as constituent magnetic elements providing spins and the non-magnetic elements providing frameworks to host the magnetic elements.Short bond lengths between the magnetic and non-magnetic elements would be beneficial for strong magnetic interactions and thus high TC.Based on this,we propose to combine the magnetic element Cr and the non-magnetic element boron to design novel 2D magnetic systems.Using our self-developed software package IM2 ODE,we design a series of chromium-boride based 2D magnetic materials.Nine stable magnetic systems are identified.Among them,we find that CrB4-Ⅰ,CrB4-Ⅱ and CrBs-Ⅰ with common structural units [CrB8] are ferromagnetic metals with estimated TC of 270 K,120 K and 110 K,respectively.On the other hand,five CrB3 phases with structural units [Cr2B12] are antiferromagnetic metals.Additionally,we also find one antiferromagnetic semiconductor CrB2-Ⅰ.Our work may open new directions for identifying 2D magnetic systems with high TC.     

Metal organic frameworks as advanced extraction adsorbents for separation and analysis in proteomics and environmental research

Science China Chemistry - Human health is always under global spotlight, but now it suffers from severe environmental issue and various diseases. Developing highly selective and effective...     

In-situ monitoring of cell-secreted lactate by electrochemiluminescence sensing under biomimetic microfluidic confinement

Cell migration proceeds in 3D matrices in vivo, which can naturally switch to distinct phenotypes for better invasion in confined microenvironments. The studies of important metabolites under confinement are extremely meaningful for comprehensive insights into cancer metastasis. The integration of cell confinement device and analytical techniques is a key point for in-situ analysis of significant metabolites in vitro.Herein, an electrochemiluminescence(ECL) sensing platform was designed for in-s...     

Some Results on the Optimal Matching Problem for the Jacobi Model

Potential Analysis - We establish some exact asymptotic results for a matching problem with respect to a family of beta distributions. Let X1,…,Xn be independent random variables with common...     

System scan of the multiplicity correlation between forward and backward rapidities in relativistic heavy-ion collisions using a multi-phase transport model

A systematic study on forward–backward (FB) multiplicity correlations from large systems to small ones through a multi-phase transport model (AMPT) has been performed and the phenomenon that correlation strength increases with centrality can be explained by taking the distribution of events as the superposition of a series of Gaussian distributions. It is also found that correlations in the \begin{document}$ \eta -\phi $\end{document} plane can imply the shape of the event. Furthermore, long-range correlations originate from the fluctuations associated with the source information. FB correlations allow us to decouple long-range correlations from short-range correlations, and may provide a chance to investigate the α-clustering structure in initial colliding light nuclei as well. It seems the tetrahedron ¹⁶O + ¹⁶O collision gives a more uniform and symmetrical fireball, that emits the final particles more isotropically or independently in the longitudinal direction, indicating that the forward–backward multiplicity correlation could be used to identify the pattern of α-clustered ¹⁶O in future experiments.     

Facet-dependent antibacterial activity of Au nanocrystals

Engineered nanomaterials have attracted significantly attention as one of the most promising antimicrobial agents for against multidrug resistant infections. The toxicological responses of nanomaterials are closely related to their physicochemical properties, and establishment of a structure-activity relationship for nanomaterials at the nano-bio interface is of great significance for deep understanding antibacterial toxicity mechanisms of nanomaterials and designing safer antibacterial nanomaterials. In this study, the antibacterial behaviors of well-defined crystallographic facets of a series of Au nanocrystals, including {100}-facet cubes, {110}-facet rhombic dodecahedra, {111}-facet octahedra, {221}-facet trisoctahedra and {720}-facet concave cubes, was investigated, using the model bacteria Staphylococcus aureus. We find that Au nanocrystals display substantial facet-dependent antibacterial activities. The low-index facets of cubes, octahedra, and rhombic dodecahedra show considerable antibacterial activity, whereas the high-index facets of trisoctahedra and concave cubes remained inert under biological conditions. This result is in stark contrast to the previous paradigm that the high-index facets were considered to have higher bioactivity as compared with low-index facets. The antibacterial mechanism studies have shown that the facet-dependent antibacterial behaviors of Au nanocrystals are mainly caused by differential bacterial membrane damage as well as inhibition of cellular enzymatic activity and energy metabolism. The faceted Au nanocrystals are unique in that they do not induce generation of reactive oxygen species, as validated for most antibiotics and antimicrobial nanostructures. Our findings may provide a deeper understanding of facet-dependent toxicological responses and suggest the complexities of the nanomaterial-cell interactions, shedding some light on the development of high performance Au nanomaterials-based antibacterial therapeutics.     

Global and local performance metric with inertia effects

Nonlinear Dynamics - A complex system’s structural–dynamical interplay plays a profound role in determining its collective behavior. Irregular behavior in the form of macroscopic chaos,...