微量热法研究黄连及其主要组分配伍的抑菌作用

基于微量热法,研究黄连、黄连的主要组分小檗碱、药根碱、巴马汀及其配伍模拟方的抑菌作用.以HPLC法测定黄连中小檗碱、药根碱和巴马汀的含量,并根据其含量比值配伍模拟方;微量热法测定黄连、小檗碱、药根碱、巴马汀及其模拟方对痢疾杆菌的生长代谢曲线,得出相应的热动力学参数,并进行对应分析.结果表明黄连、小檗碱、药根碱、巴马汀及其模拟方对痢疾杆菌的生长代谢均有不同程度的抑制作用,黄连作用最强,单体生物碱作用弱,配伍模拟方作用增强,但并未显现明显协同作用,黄连的抑菌作用可能为多种活性成分的综合作用.     

Antibacterial Activity and Mechanism of Linalool against Shewanella putrefaciens

The demand for reduced chemical preservative usage is currently growing, and natural preservatives are being developed to protect seafood. With its excellent antibacterial properties, linalool has been utilized widely in industries. However, its antibacterial mechanisms remain poorly studied. Here, untargeted metabolomics was applied to explore the mechanism of Shewanella putrefaciens cells treated with linalool. Results showed that linalool exhibited remarkable antibacterial activity against S. putrefaciens, with 1.5 µL/mL minimum inhibitory concentration (MIC). The growth of S. putrefaciens was suppressed completely at 1/2 MIC and 1 MIC levels. Linalool treatment reduced the membrane potential (MP); caused the leakage of alkaline phosphatase (AKP); and released the DNA, RNA, and proteins of S. putrefaciens, thus destroying the cell structure and expelling the cytoplasmic content. A total of 170 differential metabolites (DMs) were screened using metabolomics analysis, among which 81 species were upregulated and 89 species were downregulated after linalool treatment. These DMs are closely related to the tricarboxylic acid (TCA) cycle, glycolysis, amino acid metabolism, pantothenate and CoA biosynthesis, aminoacyl-tRNA biosynthesis, and glycerophospholipid metabolism. In addition, linalool substantially affected the activity of key enzymes, such as succinate dehydrogenase (SDH), pyruvate kinase (PK), ATPase, and respiratory chain dehydrogenase. The results provided some insights into the antibacterial mechanism of linalool against S. putrefaciens and are important for the development and application of linalool in seafood preservation.     

Anomalous Property of Ag(BO2)2 Hyperhalogen: Does Spin–Orbit Coupling Matter?

Hyperhalogens were recently identified as a new class of highly electronagative species which are composed of metals and superhalogens. In this work, high‐level theoretical calculations and photoelectron spectroscopy experiments are systematically conducted to investigate a series of coinage‐metal‐containing hyperhalogen anions, Cu(BO₂)₂^?, Ag(BO₂)₂^?, and Au(BO₂)₂^?. The vertical electron detachment energy (VDE) of Ag(BO₂)₂^? is anomalously higher than those of Au(BO₂)₂^? and Cu(BO₂)₂^?. In quantitative agreement with the experiment, high‐level ab initio calculations reveal that spin–orbit coupling (SOC) lowers the VDE of Au(BO₂)₂^? significantly. The sizable magnitude of about 0.5 eV of SOC effect on the VDE of Au(BO₂)₂^? demonstrates that SOC plays an important role in the electronic structure of gold hyperhalogens. This study represents a new paradigm for relativistic electronic structure calculations for the one‐electron‐removal process of ionic Au^IL₂ complexes, which is characterized by a substantial SOC effect.     

套管井中偏心对声场的影响分析*

目前在油田的实际应用中,声幅-变密度水泥胶结测井(CBL/VDL)在套管井的水泥胶结质量评价中发挥重要作用。但是,在一些大斜度井或者水平井中,往往由于仪器或者套管的重量等原因导致套管井中出现偏心现象,这给利用声波测井资料进行水泥胶结质量评价带来一些难题。为此,本文建立了套管偏心和仪器偏心两种情况下的三维声学模型,利用柱坐标系下的三维交错网格有限差分算法数值模拟了两种偏心情况下的声波传播情况,并着重研究了偏心率的变化对套管井中声场波形特征,尤其是套管波及地层波特征的影响。另外,模拟了具有不同外径尺寸的套管和偏心率的组合情况下的声场传播情况,在此基础上研究了偏心率的大小对声场特征的影响规律。本文的研究结果表明,套管偏心和仪器偏心均会给声场波形特征带来影响,且随着偏心率的增加而增大;相比较而言,仪器偏心对套管波的影响更大。     

A new approach for extracting phase effect based on in-line X-ray phase imaging

In clinical applications, the X-ray spectra from tungsten are continuous, and include both attenuation and phase effects for in-line X-ray imaging. A new approach for extracting the pure phase effect from the mixed images is presented. In this work, a normalized imaging formula independent of the light intensity is derived for the polychromatic case. Taking both photoelectric and Compton interactions into account, the attenuation effects at 70 and 50 kVp for borosilicate pyrex, air, and water are accurately calculated and shown to be stable across these substances. The attenuation effect at the interface can be greatly weakened by the subtraction of the attenuation effects of two normalized images, thus revealing details of the phase effect. The experimental results show that this approach is valid.     

A proton and optic dual-control molecular switch based on photochromic diarylethene bearing a rhodamine unit

A novel fluorescent switch based on rhodamine B and photochromic diarylethene, 1-[2-methyl-5-(4-methoxylphenyl)-3-thienyl]-2-[2-methyl-5-(4-rhodamine B hydrazine-Schiff base-phenyl)-3-thienyl]perfluorocyclopentene (1), has been successfully synthesized through the condensation of rhodamine B hydrazine and 1-[2-methyl-5-(4-methoxylphenyl)-3-thienyl]-2-[2-methyl-5-(4-formylphenyl)-3-thienyl]perfluorocyclopentene. UV and FL measurements reveal that the compound exhibits good photochromic properties responsive to proton and optic dual inputs. Upon irradiation with 297 nm light, the colorless solution of compound 1 turns blue, while the blue solution becomes colorless after irradiated with visible light (λ>450 nm). Furthermore, upon an addition of H⁺, the fluorescence resonance energy transfers from the rhodamine unit (FRET donor) to the closed-ring diarylethene unit (FRET acceptor), although no energy transfer occurs when the diarylethene is in the open-ring form. The emission intensity of the rhodamine can be modulated with proton and UV/vis light and molecular-level signal communication has been constructed, indicating high potentials of the compound in molecular switches or naked eye recognition systems.     

1,7-Palladium migration via C-H activation, followed by intramolecular amination: regioselective synthesis of benzotriazoles

A novel 1,7-palladium migration-cyclization-dealkylation sequence for the regioselective synthesis of benzotriazoles has been developed. These reactions proceed in excellent yields with high regioselectivities. The mechanism of the reaction has also been investigated.