Anti-N-methyl-D-aspartate receptor type autoimmune encephalitis with severe pneumonia:a case report

Autoimmune encephalitis(AE)is a type of encephalitis caused by autoimmune disease.AE was included on a list of the first batch of 121 rare diseases published by the Chinese National Health Commission on 11^(th)May 2018.Currently,patients with AE account for 10%-20% of encephalitis cases,with 54%-80% of those cases classified as the anti-N-methyl-D-aspartate receptor(NMDAR)type,which is the most common type.[1]In 2010,China reported the first case of a patient withanti-NMDARtype AE.

Molecular simulation study on K^＋-Cl^- ion pair in geological fluids

This paper reports a classical molecular dynamics study of the potential of mean forces(PMFs),association constants,microstructures K^+-Cl^- ion pair in supercritical fluids.The constrained MD method is used to derive the PMFs of K^+-Cl^- ion pair from 673 to 1273 K in low-density water(0.10-0.60 g/cm).The PMF results show that the contact ion-pair(CIP) state is the one most energetically favored for a K^+-Cl^- ion pair.The association constants of the K^+-Cl^- ion pair are calculated from the PMFs,indicating that the K^+-Cl^- ion pair is thermodynamically stable.It gets more stable as T increases or water density decreases.The microstructures of the K^+-Cl^- ion pair in the CIP and solvent-shared ion-pair states are characterized in detail.Moreover,we explore the structures and stabilities of the KCl-Au(I)/Cu(I) complexes by using quantum mechanical calculations.The results reveal that these complexes can remain stable for T up to1273 K,which indicates that KCl may act as a ligand complexing ore-forming metals in hydrothermal fluids.

A molecular dynamics study of uranyl-carbonate complexes adsorbed on basal surfaces of clay minerals

We use molecular dynamics simulation to study the mechanisms involved in the adsorption of aqueous uranyl species(UO_2^(2+)) to the basal surfaces of clay minerals,including kaolinite,pyrophyllite and montmorillonite.Uranyl ion can form various complexes with carbonates,namely,[UO_2(H_2O)_5]^(2+),[UO_2(H_2O)3(CO_3)],[UO_2(H_2O)2(CO_3)_2]^(2-),[UO_2(CO_3)_3]^(4-).The simulations show that at aqueous clay interfaces,both uranyl species and surface type control the adsorption pattern.The noncarbonato and monocarbonato uranyl species can form outer-sphere complexes on siloxane surfaces through electrostatic interaction,but the dicarbonato and tricarbonato uranyl complexes rarely adsorb on the siloxane surfaces.Strong outer-sphere adsorptions of the uranylcarbonate complexes on gibbsite surfaces are observed,which are fixed by hydrogen bonds between the ligands(carbonate and/or H_2O) and surface hydroxyls.The sorption behaviors derived in this study provide new insights into understanding the migration and enrichment of uranium and other radionuclides.

A molecular simulation study of Cs-Cl and Cs-F ion pairs in hydrothermal fluids

Magmatic-hydrothermal processes play an important role in the transport, enrichment, and mineralization of cesium. In this study, classical molecular dynamics simulations were performed to investigate the properties of Cs-Cl and Cs-F ion pairs in hydrothermal fluids. The association constants(log_(10)K_(A)(m)) under a wide range of temperature(i.e. 298–1273 K) and fluid density(i.e. 0.1–1.0 g/cm^(3)) were derived from the potential of mean force(PMF) curves. The results indicate that CsCl and Cs-F ion pairs have similar stabilities. This is different from other alkali metal cations(e.g., Li^(+), Na^(+), and K^(+)), which prefer binding with F over Cl. The stabilities of Cs-Cl and Cs-F ion pairs increase with increasing temperature(except for the fluid density ≤ 0.1 g/cm^(3)) or decreasing fluid density, which is similar to other alkali halide ion pairs. Comparisons among the stabilities of CsCl/F and other alkali halide ion pairs indicate that the Li–F ion pair has the highest stability in hydrothermal fluids.

内嵌异质声学黑洞阵列板结构的阻尼演化机制研究

声学黑洞是一种有效的被动减振结构.这种结构的特点在于可以俘获结构中的弯曲波形成高能量密度区域,从而通过附加阻尼材料来实现高效率的振动能量耗散.基于这种声学黑洞效应,本文通过有限元仿真与实验探究了单个声学黑洞与声学黑洞阵列的动力学性能.研究发现,声学黑洞阵列可以有效地提高整体板结构的模态密度和模态损耗因子,从而在较宽的频率范围下实现更好的减振性能.为了进一步揭示声学黑洞结构的阻尼损耗机理,建立了声学黑洞与阻尼材料的耦合模型并进行了参数化讨论.结果表明,系统的模态损耗因子不仅与阻尼材料的性能有关,而且还取决于阻尼材料所覆盖的结构模态动能的大小.同时,模态密度则由结构的几何尺寸决定.此外,本文对声学黑洞阵列中不同单元的作用也进行了探讨,并分析了不同类型声学黑洞阵列结构的动力学性能.结果表明,异质声学黑洞阵列比传统的均匀阵列在宽频范围内具有更稳定的动力学性能.这些研究有利于声学黑洞阵列在减振降噪方面的实际工程应用.