Structure and stability of endohedral X@Si20H20 complexes (X = Li, Na, K, Be, Mg, Ca)

The structure and stability of endohedral X@Si₂₀H₂₀ complexes (X = Li^0/+, Na^0/+, K^0/+, Be^0/2+, Mg^0/2+, Ca^0/2+) have been studied at the B3LYP/6-31G* level of density functional theory. It is found that complexes with X = Na^0/+, K^0/+, Mg and Ca^0/2+ are energy minimum structures with X at the cage center in I_h symmetry, while those with X = Li^0/+, Be^0/2+, Mg²⁺ have off-centered structures with X towards one pentagon face in C_5v symmetry. Large electron or charge transfer between the Si₂₀H₂₀ cage and the encapsulated X has been observed.     

金属组学在急性心肌梗死早期诊断的应用

为探讨急性心肌梗死(AMI)患者血清中K⁺、Na⁺、Ca²⁺、Fe²⁺、Mg²⁺含量变化,并研究其与心肌梗死患者之间的关系。选取2022年5月至2023年2月收治的AMI患者37例,同时选取健康体检者35例作为对照组。依据入院时或体检时收集的抽血样本进行临床生化分析,比较两组间血清K⁺、Na⁺、Ca²⁺、Fe²⁺、Mg²⁺含量,采用判别方程、主成分分析法(PCA),判断分析哪种金属离子对于心肌梗死的诊断价值大。结果表明,AMI患者的血清中Ca²⁺和Fe²⁺含量低于健康对照组,差异具有统计学意义。基于血钙、铁水平两组具有显著性差异,以它们为基础进行判别分析,获得判别函数式。将血清中K⁺、Na⁺、Ca²⁺、Fe²⁺、Mg²⁺     

Machine learning-based direct solver for one-to-many problems on temporal shaping of relativistic electron beams

To control the temporal profile of a relativistic electron beam to meet requirements of various advanced scientific applications like free-electron-laser and plasma wakefield acceleration, a widely-used technique is to manipulate the dispersion terms which turns out to be one-to-many problems. Due to their intrinsic one-to-many property, current popular stochastic optimization approaches on temporal shaping may face the problems of long computing time or sometimes suggesting only one solution. Here we propose a real-time solver for one-to-many problems of temporal shaping, with the aid of a semi-supervised machine learning method, the conditional generative adversarial network (CGAN). We demonstrate that the CGAN solver can learn the one-to-many dynamics and is able to accurately and quickly predict the required dispersion terms for different custom temporal profiles. This machine learning-based solver is expected to have the potential for wide applications to one-to-many problems in other scientific fields.     

Cluster synchronization in a network of non-identical dynamic systems

Cluster synchronization in a network of non-identical dynamic systems is studied in this paper, using two-cluster synchronization for detailed analysis and discussion. The results show that the common intercluster coupling condition is not always needed for the diffusively coupled network. Several sufficient conditions are obtained by using the Schur unitary triangularization theorem, which extends previous results. Some numerical examples are presented for illustration.     

基于自组装膜的光纤错位型氨气传感器

演示了一种基于单壁碳纳米管（SWCNTs）-聚合物自组装复合膜的光纤错位型氨气传感器。通过层层自组装技术在高Q谐振器上涂覆薄膜,薄膜上存在大量的游离羧基以及较大的比表面积,这提供了光与薄膜之间的强相互作用,以及对氨气的高吸附性和选择性。光谱随氨气浓度影响的有效折射率而变化。在(10～37) ×10⁻⁶的低浓度范围内,光谱变化与氨气浓度差之比即灵敏度为13.25 pm/10⁻⁶,检测极限为3.77 ×10⁻⁶并且具有良好的线性。这项工作研制为低浓度和高选择性氨气传感器提供了一种有效的方法。     

Relaxation dynamics of stretched polymer chains traced by shear induced Shish‐Kebab structure

We have developed a morphologic method to investigate the relaxation processing of the stretched polymer chains in melts, in which an atomic force microscope probe was used to shear the surface of an isotactic polypropylene melt to obtain the isolated shish‐kebab structure. We present the results of the time dependence of length of the isolated shish‐kebab structure and the stress dependence of the kebab density along the direction of shish in this paper. Our results demonstrate that the shear‐oriented polymer melts show the relaxation dynamics of worm‐like chain where the length deficit of the isolated shish‐kebab structure is scaled with the relaxation time as a power of 1/3. The melting behavior of shish‐kebab structure was also investigated. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2013, 51, 907–914     

Synthesis of Simple Multivalent β-D-GalNAc-(1→4)-β-D-Gal Oligomers as Probes for Investigating the Interactions of P. Aeruginosa Pili with Multivalent Receptors

ABSTRACT

Five multivalent β-D-GalNAc-(1→4)-β-D-Gal oligomers were selected and synthesized as probes for investigating the adhesin-receptor interactions of P. aeruginosa pili with multivalent receptors. They were synthesized by the amide coupling reactions of 8-(N-2-aminoethyl)carboxamidooctyl 4-O-(2-acetamido-2-deoxy-β-D-galactopyranosyl)-β-D-galactopyranoside (7) with EDTA dianhydride, EDTA, Kemp's triacid and adipic acid with EDC, DIC and DCC combined with HOBt as coupling reagents and by the reaction of per-O-acetylated 7 with 1,3,5-benzenetricarbonyl trichloride followed by de-O-acetylation. These resulting multivalent compounds contain flexible C₉ spacer arms as linkers attached to either flexible hydrophilic moieties or rigid hydrophobic cores.     

Echelle dif fraction grating based high-resolution spectrometer-on-chip on SiON waveguide platform

An echelle diffraction grating based high-resolution spectrometer-on-chip on silicon oxynitride (SiON) waveguide platform operated at a wavelength range of 850 nm is demonstrated. The chip comprises 120 output waveguides with 0.25-nm wavelength channel spacing and has a size of only 11 × 6 (mm). The experimental results show that the insertion loss is-14 dB, the measured adjacent channel crosstalk is less than -25 dB, the 3 dB channel bandwidth is < 0.1 nm, and the channel non-uniformity is 3 dB for 56 channels with a wavelength ranging from 838 to 852 nm.     

(Ni0.81Fe0.19)1-xCrx作为种子层对NiFe/FeMn交换偏置的影响

采用一种新的种子层材料:(Ni081Fe019)1-xCrx,通过改变种子层中Cr原子的含量,使得在其上生长的NiFeFeMn双层膜的织构和晶粒尺寸产生极大的差异,系统研究了NiFeFeMn双层膜中FeMn晶粒尺寸和织构对交换偏置的影响.实验结果表明,在FeMn的γ相(111)织构较好的前提下,交换偏置场的大小与织构的差异没有关系;FeMn的晶粒尺寸对交换偏置场有很大影响,较小的反铁磁层晶粒对交换偏置场有利,过大的反铁磁层晶粒不利于交换偏置场.将(Ni081Fe019)05Cr05与传统的种子层材料Ta进 关键词： 交换偏置 晶粒尺寸 织构 种子层