姜黄素及其改性产物与皮胶原作用研究

我国使用天然染料历史悠久,但随着近代化学工业的发展,出现了合成染料,合成染料以其丰富多彩的色彩和优良的染色牢度而得以广泛应用,天然染料则受到冷落.     

Phosphatidylcholine Cation—Tyrosine π Complexes: Motifs for Membrane Binding by a Bacterial Phospholipase C

Phosphatidylinositol-specific phospholipase C (PI-PLC) enzymes are a virulence factor in many Gram-positive organisms. The specific activity of the Bacillus thuringiensis PI-PLC is significantly increased by adding phosphatidylcholine (PC) to vesicles composed of the substrate phosphatidylinositol, in part because the inclusion of PC reduces the apparent K_d for the vesicle binding by as much as 1000-fold when comparing PC-rich vesicles to PI vesicles. This review summarizes (i) the experimental work that localized a site on BtPI-PLC where PC is bound as a PC choline cation—Tyr-π complex and (ii) the computational work (including all-atom molecular dynamics simulations) that refined the original complex and found a second persistent PC cation—Tyr-π complex. Both complexes are critical for vesicle binding. These results have led to a model for PC functioning as an allosteric effector of the enzyme by altering the protein dynamics and stabilizing an ‘open’ active site conformation.     

Modification of Polymeric Carbon Nitride with Au–CeO2 Hybrids to Improve Photocatalytic Activity for Hydrogen Evolution

The construction of a multi-component heterostructure for promoting the exciton splitting and charge separation of conjugated polymer semiconductors has attracted increasing attention in view of improving their photocatalytic activity. Here, we integrated Au nanoparticles (NPs) decorated CeO₂ (Au–CeO₂) with polymeric carbon nitride (PCN) via a modified thermal polymerization method. The combination of the interfacial interaction between PCN and CeO₂ via N-O or C-O bonds, with the interior electronic transmission channel built by the decoration of Au NPs at the interface between CeO₂ and PCN, endows CeAu–CN with excellent efficiency in the transfer and separation of photo-induced carriers, leading to the enhancement of photochemical activity. The amount-optimized CeAu–CN nanocomposites are capable of producing ca. 80 μmol· H₂ per hour under visible light irradiation, which is higher than that of pristine CN, Ce–CN and physical mixed CeAu and PCN systems. In addition, the photocatalytic activity of CeAu–CN remains unchanged for four runs in 4 h. The present work not only provides a sample and feasible strategy to synthesize highly efficient organic polymer composites containing metal-assisted heterojunction photocatalysts, but also opens up a new avenue for the rational design and synthesis of potentially efficient PCN-based materials for efficient hydrogen evolution.     

A Computer Simulation Insight into the Formation of Apocarotenoids: Study of the Carotenoid Oxygenases BCO1 and BCO2 and Their Interaction with Putative Substrates

Carotenoids are isoprenoid pigments, and sources of vitamin A in humans. The first metabolic pathway for their synthesis is mediated by the enzymes β,β-carotene-15,15′-dioxygenase (BCO1) and β,β-carotene-9′,10′-dioxygenase (BCO2), which cleave carotenoids into smaller compounds, called apocarotenoids. The objective of this study is to gain insight into the interaction of BCO1 and BCO2 with carotenoids, adding structural diversity and importance in the agro-food and/or health sectors. Homology modeling of BCO1 and BCO2, and the molecular dynamics of complexes with all carotenoids were performed. Interaction energy and structures were analyzed. For both enzymes, the general structure is conserved with a seven beta-sheet structure, and the β-carotene is positioned at an optimal distance from the catalytic center. Fe²⁺ forms in an octahedral coordination sphere with four perfectly conserved histidine residues. BCO1 finds stability in a structure in which the β-carotene is positioned ready for enzymatic catalysis at the 15–15′ bond, and BCO2 in positioning the bond to be cleaved (C9–C10) close to the active site. In BCO1 the carotenoids interact with only seven residues with aromatic rings, while the interaction of BCO2 is much more varied in terms of the type of interaction, with more residues of different chemical natures.     

Whether the Research on Ethanol–Water Microstructure in Traditional Baijiu Should Be Strengthened?

Baijiu is a unique and traditional distilled liquor in China. Flavor plays a crucial rule in baijiu. Up to now, the research on the flavor of baijiu has progressed from the identification of volatile compounds to the research on key aroma compounds, but the release mechanism of these characteristic compounds is still unclear. Meanwhile, volatile compounds account for only a tiny fraction, whereas ethanol and water account for more than 98% of the content in baijiu. By summarizing the ethanol–water hydrogen bond structure in different alcoholic beverages, it was found that flavor compounds can affect the association strength of the ethanol–water hydrogen bond, and ethanol–water can also affect the interface distribution of flavor compounds. Therefore, the research on ethanol–water microstructure in baijiu is helpful to realize the simple visualization of adulteration detection, aging determination and flavor release mechanism analysis of baijiu, and further uncover the mystery of baijiu.     

Hemocompatibile Thin Films Assessed under Blood Flow Shear Forces

The aim of this study was to minimize the risk of life-threatening thromboembolism in the ventricle through the use of a new biomimetic heart valve based on metal–polymer composites. Finite volume element simulations of blood adhesion to the material were carried out, encompassing radial flow and the cone and plane test together with determination of the effect of boundary conditions. Both tilt-disc and bicuspid valves do not have optimized blood flow due to their design based on rigid valve materials (leaflet made of pyrolytic carbon). The main objective was the development of materials with specific properties dedicated to contact with blood. Materials were evaluated by dynamic tests using blood, concentrates, and whole human blood. Hemostability tests under hydrodynamic conditions were related to the mechanical properties of thin-film materials obtained from tribological tests. The quality of the coatings was high enough to avoid damage to the coating even as they were exposed up to maximum loading. Analysis towards blood concentrates of the hydrogenated carbon sample and the nitrogen-doped hydrogenated carbon sample revealed that the interaction of the coating with erythrocytes was the strongest. Hemocompatibility evaluation under hydrodynamic conditions confirmed very good properties of the developed coatings.     

回旋速调管放大器注-波互作用分析

给出了自洽非线性大信号理论分析方法,在理论分析和高频计算的基础上,建立了回旋速调管放大器注-波互作用计算模型,对其进行数值计算。研究多种参量对放大器输出功率、增益、效率等的影响,通过优化得到了中心频率34 GHz的四腔回旋速调管放大器设计方案。粒子模拟表明：在工作电压65 kV,注电流8 A,电子注横向与纵向速度比为1.5时,输出功率230 kW,带宽230 MHz,电子效率45%,饱和增益33 dB。     

激光等离子体相互作用的局域振荡电子加热机制

用2.5维粒子模拟程序模拟了超强激光与等离子体的相互作用过程,发现超强激光可以通过J×B加热机制加速电子并引起电荷分离,从而产生很强的静电场并形成电场势阱,电子在静电场势阱中振荡,被多次加速,使得高速电子被甩出势阱,进而增强电荷分离,然后静电场结构被破坏,静电势能传给电子。在此过程中,电子在此阱中作局域振荡,并且被J×B机制多次加速,激光的能量会有效地传给电子,使电子能量高达10MeV。这是一种新的电子加热机制,称之为局域振荡电子加热机制。     

翼片加载螺旋线慢波结构的螺旋带模型

翼片加载螺旋线慢波结构广泛应用于大功率、宽频带行波管中。建立了翼片加载螺旋线慢波结构的螺旋带模型,得到了实用的色散方程、耦合阻抗和衰减常数的表达式。利用导出的方程对实际行波管的螺旋慢波结构进行计算,并与测量结果和导电面模型进行了比较,计算结果与测量结果具有良好的一致性。分析了不同管壳半径对色散特性的影响。     

考虑螺旋带径向厚度的螺旋线慢波系统的研究

分析了具有夹持杆和金属屏蔽筒并且考虑了螺旋带径向厚度的螺旋线慢波系统的色散特性和耦合阻抗。通过用切比雪夫多项式来展开螺旋带上的面电流,用真空层来模拟螺旋带的厚度,用均匀分层介质来等效介质夹持杆,得到了色散方程和耦合阻抗的表达式。与实验数据相比,考虑螺旋带厚度所得出的结果明显优于未考虑其厚度的结果。利用该模型设计了两个工作在3GHz的螺旋线慢波系统。