Microstructure characterization of CVI-densified carbon/carbon composites with various fiber distributions

Mechanical behavior of multi-phase composites is crucially influenced by volume fractions, orientation distributions and geometries of microconstituents. In the case of carbon–carbon composites manufactured by chemical vapor infiltration, the microconstituents are carbon fibers, pyrolytic carbon matrix, and pores. The local variable thickness of the pyrolytic carbon coating, distribution of the fibers and porosity are the main factors influencing the properties of these materials. Two types of fiber arrangements are considered in this paper: 2D laminated preform and random felt. The materials are characterized by determining their densities and their fiber distribution functions, by establishing types of pyrolytic carbon matrix present in the composites, and by studying the porosity. A technique utilizing X-ray computed tomography for estimation of the orientation distribution of the fibers and pores with arbitrary shapes is developed. A methodology based on the processing of microstructure images with subsequent numerical simulation of the coating growth around the fibers is proposed for estimation of the local thickness of the coating. The obtained information is appropriate for micromechanical modeling and prediction of the overall thermo-mechanical properties of the studied composites.     

NMOB与花生酸的组装多层膜及其非线性光学性质

利用与花生酸交替的方法，制备了2－硝基－5（N－甲基－N－十八烷基）氨基苯甲酸（NMOB）非中心对称多层膜，研究了它的非线性光学性质，结果表明，该多层膜的二次谐波强度与NMOB层数平方基本成正比。X－射线小角衍射测定结果再次表明，多层膜的排列相当有序，NMOB单层膜厚度为2．76nm.NMOB有良好的二阶非线性光学性质和出色的成膜性质，是一种很好的非线光学LB膜材料，可望用于制作光波导。     

The Role of the Choroid in Stargardt Disease

Stargardt disease is the commonest juvenile macular dystrophy. It is caused by genetic mutations in the ABCA4 gene. Diagnosis is not always straightforward, and various phenocopies exist. Late-onset disease can be misdiagnosed with age-related macular disease. A correct diagnosis is particularly critical because of emergent gene therapies. Stargardt disease is known to affect retinal pigment epithelium and photoreceptors. Many studies have also highlighted the importance of the choroid in the diagnosis, pathophysiology, and progression of the disease. The choroid is in an integral relationship with the retinal pigment epithelium and photoreceptors, and its possible involvement during the disease should be considered. The purpose of this review is to analyze the current diagnostic tools for choroidal evaluation and the extrapolation of useful data for ophthalmologists and researchers studying the disease.     

近似最优正则化参数方法在电容成像图像重建中的应用

将基于近似最优正则化参数的Tikhonov方法应用于电容成像(Electrical capacitance tomography，ECT)图像重建以解决其中存在的病态性问题，并利用几种典型分布对该方法进行仿真测试。数值结果表明，在先验知识满足的条件下，近似最优参数法所找到的正则化参数是对最优正则化参数的较合理近似。在重建结果方面，基于近似最优参数的Tikhonov方法在不同的介电常数分布下与目前普遍采用的线性反投影算法(Linear back projection，LBP)各有优势。结果表明，该方法尚不能完全取代LBP算法，但能在一定程度上弥补LBP算法的不足。     

网络编码在拓扑推断中的应用研究

针对现有的基于线性网络编码的网络拓扑推断算法中拓扑错误推断率较高、节点资源消耗大等问题,提出了一种改进的网络拓扑推断解决方案。在无链路丢包的情况下,提出了组合包测量方法,不仅适合二叉树类型的网络,也适合于存在节点度数大于3的中间节点的树状网络拓扑;在存在链路丢包的情况下,提出了快速发包算法,避免了网络中间节点和探测包帧结构设计上的额外开销。仿真结果表明,该算法具有更广泛的适用范围,具有更严谨的推断过程,同时能够在不增加网络节点运行负担的情况下降低错误推断率。     

Strong Hydrogen Bonds in Acetylenedicarboxylic Acid Dihydrate

Acetylenedicarboxylic acid dihydrate (ADAD) represents a complex with strong hydrogen bonding between the carboxylic OH and the water molecule. An X-ray re-examination of the ADAD crystal structure confirms the O^…O distance of the short hydrogen bonds, and clearly shows different bond lengths between the two oxygen atoms with respect to the carbon atom in the carboxyl group, indicating a neutral structure for the complex. The neutral structure was also confirmed by vibrational spectroscopy, as no proton transfer was observed. The diffraction studies also revealed two polymorph modifications: room temperature (α) and low temperature (β), with a phase transition at approximately 4.9 °C. The calculated vibrational spectra are in satisfactory agreement with the experimental spectra. A comparison of the structure and the vibrational spectra between the ADAD and the oxalic acid dihydrate reveals some interesting details. The crystal structures of both crystal hydrates are almost identical; only the O^…O distances of the strongest hydrogen bonds differ by 0.08 Å. Although it was expected that a larger O^…O spacing in the ADAD crystal may significantly change the infrared and Raman spectra, especially for the frequency and the shape of the acidic OH stretching vibration, both the shape and frequency are almost identical, with all subpeaks topped on the broad OH stretching vibration. The O^…O distance dependent are only in- and out-of-plane OH deformations modes. The presence of polarons due to the ionized defects was not observed in the vibrational spectra of ADAD. Therefore, the origin of the broad OH band shape was explained in a similar way to the acid dimers. The anharmonicity of a potential enhances the coupling of the OH stretching with the low-frequency hydrogen bond stretching, which, in addition to the Fermi resonance, structures the band shape of the OH stretching. The fine structure found as a superposition of a broad OH stretching is attributed to Davydov coupling.     

运用X射线荧光光谱法对石榴石分类鉴定

本文介绍了运用X射线荧光光谱法对石榴石的化学组成元素进行剖析（定性及半定量分析）,通过化学组分的不同来对石榴石进行分类、鉴定。     

Functional and Structural Insights into Human PPARα/δ/γ Subtype Selectivity of Bezafibrate,Fenofibric Acid,and Pemafibrate

Among the agonists against three peroxisome proliferator-activated receptor (PPAR) subtypes, those against PPARα (fibrates) and PPARγ (glitazones) are currently used to treat dyslipidemia and type 2 diabetes, respectively, whereas PPARδ agonists are expected to be the next-generation metabolic disease drug. In addition, some dual/pan PPAR agonists are currently being investigated via clinical trials as one of the first curative drugs against nonalcoholic fatty liver disease (NAFLD). Because PPARα/δ/γ share considerable amino acid identity and three-dimensional structures, especially in ligand-binding domains (LBDs), clinically approved fibrates, such as bezafibrate, fenofibric acid, and pemafibrate, could also act on PPARδ/γ when used as anti-NAFLD drugs. Therefore, this study examined their PPARα/δ/γ selectivity using three independent assays—a dual luciferase-based GAL4 transactivation assay for COS-7 cells, time-resolved fluorescence resonance energy transfer-based coactivator recruitment assay, and circular dichroism spectroscopy-based thermostability assay. Although the efficacy and efficiency highly varied between agonists, assay types, and PPAR subtypes, the three fibrates, except fenofibric acid that did not affect PPARδ-mediated transactivation and coactivator recruitment, activated all PPAR subtypes in those assays. Furthermore, we aimed to obtain cocrystal structures of PPARδ/γ-LBD and the three fibrates via X-ray diffraction and versatile crystallization methods, which we recently used to obtain 34 structures of PPARα-LBD cocrystallized with 17 ligands, including the fibrates. We herein reveal five novel high-resolution structures of PPARδ/γ–bezafibrate, PPARγ–fenofibric acid, and PPARδ/γ–pemafibrate, thereby providing the molecular basis for their application beyond dyslipidemia treatment.     

Dimerization Tendency of 3CLpros of Human Coronaviruses Based on the X-ray Crystal Structure of the Catalytic Domain of SARS-CoV-2 3CLpro

3CLpro of SARS-CoV-2 is a promising target for developing anti-COVID19 agents. In order to evaluate the catalytic activity of 3CLpros according to the presence or absence of the dimerization domain, two forms had been purified and tested. Enzyme kinetic studies with a FRET method revealed that the catalytic domain alone presents enzymatic activity, despite it being approximately 8.6 times less than that in the full domain. The catalytic domain was crystallized and its X-ray crystal structure has been determined to 2.3 Å resolution. There are four protomers in the asymmetric unit. Intriguingly, they were packed as a dimer though the dimerization domain was absent. The RMSD of superimposed two catalytic domains was 0.190 for 182 Cα atoms. A part of the long hinge loop (LH-loop) from Gln189 to Asp197 was not built in the model due to its flexibility. The crystal structure indicates that the decreased proteolytic activity of the catalytic domain was due to the incomplete construction of the substrate binding part built by the LH-loop. A structural survey with other 3CLpros showed that SARS-CoV families do not have interactions between DM-loop due to the conformational difference at the last turn of helix α7 compared with others. Therefore, we can conclude that the monomeric form contains nascent enzyme activity and that its efficiency increases by dimerization. This new insight may contribute to understanding the behavior of SARS-CoV-2 3CLpro and thus be useful in developing anti-COVID-19 agents.     

Enabling Coarse X-ray Fluorescence Imaging Scans with Enlarged Synchrotron Beam by Means of Mosaic Crystal Defocusing Optics

Trace elements, functionalized nanoparticles and labeled entities can be localized with sub-mm spatial resolution by X-ray fluorescence imaging (XFI). Here, small animals are raster scanned with a pencil-like synchrotron beam of high energy and low divergence and the X-ray fluorescence is recorded with an energy-dispersive detector. The ability to first perform coarse scans to identify regions of interest, followed by a close-up with a sub-mm X-ray beam is desirable, because overall measurement time and X-ray dose absorbed by the (biological) specimen can thus be minimized. However, the size of X-ray beams at synchrotron beamlines is usually strongly dependent on the actual beamline setup and can only be adapted within specific pre-defined limits. Especially, large synchrotron beams are non-trivial to generate. Here, we present the concept of graphite-based, convex reflection optics for the one-dimensional enlargement of a 1 mm wide synchrotron beam by a factor of 5 to 10 within a 1 m distance. Four different optics are tested and characterized and their reflection properties compared to ray tracing simulations. The general shape and size of the measured reflection profiles agree with expectations. Enhancements with respect to homogeneity and efficiency can be expected with improved optics manufacturing. A mouse phantom is used for a proof-of-principle XFI experiment demonstrating the applicability of coarse and fine scans with the suggested optics design.