Hudson模型适用性及储层微观建模应用*

为明确裂缝间相互作用对各向异性的影响，本文以Hudson模型为例分析了裂缝密度、裂缝倾角对地震波波场、弹性常数和Thomsen系数的影响规律，然后采用“基质-骨架-流体”组合化的方法进行了裂缝储层微观尺度的建模，并与实际测井资料进行了对比。结果表明该模型适用条件为低裂缝密度储层，二阶模型适用的裂缝密度范围比一阶模型大，但在裂缝密度过大时，二阶模型会出现不收敛的现象，模型便不再适用。裂缝储层纵横波速度随裂缝倾角增大而增大，纵波速度对裂缝倾角更为敏感。另外，在与实际测井曲线对比时，在高裂缝密度地层二阶模型的应用效果明显优于一阶模型，说明了在高裂缝密度储层考虑裂缝间的相互作用的必要性。     

Determination of Anti-Parkinson Drug Pramipexole Using a Label-free Biosensor and Evaluation of its Interaction with ds-DNA

In this study, we fabricated an effective and sensitive DNA biosensor based on flower-like Pt/NiCo₂O₄ modified carbon paste electrode (FL-Pt/NiCo₂O₄/CPE) for detection of pramipexole (PPX). Spectrophotometry, differential pulse voltammetry (DPV) and docking methods were employed to evaluate the interaction of DNA-PPX. Moreover, the DPV technique was chosen to monitor the electrochemical response of guanine on the DNA biosensor. The relationship between the concentration of PPX and the oxidation signal of guanine was linear in the range of 0.4 to 310.0 μM and a limit of detection (LOD) of 0.09 μM was calculated.     

Toward efficient interactions of bubbles and coal particles induced by stable cavitation bubbles under 600 kHz ultrasonic standing waves

The interactions of bubbles and coal particles in 600 kHz ultrasonic standing waves (USW) field has been investigated. A high-speed camera was employed to record the phenomena occurred under the USW treatment. The formation and behaviors of cavitation bubbles were analyzed. Under the driving of these cavitation bubbles, whose size is from several microns to dozens of microns, coal particles were aggregated and then attracted by large bubbles due to the acoustic radiation forces. The results of USW-assisted flotation show a significant improvement in recoveries at 600 kHz, which indicates that the interactions of bubbles and particles in the USW field are more efficient than that in the conventional gravitational field. Furthermore, the sound pressure distribution of the USW was measured and predicted by a hydrophone. The analysis of gravity and buoyancy, primary and secondary Bjerknes forces shows that bubble-laden particles can be attracted by the rising bubbles under large acoustic forces. This study highlights the potential for USW technology to achieve efficient bubble-particle interactions in flotation.     

K促进的纳米片状水滑石衍生CoAlO金属氧化物催化碳烟燃烧

采用水热法合成了负载K的纳米片状水滑石衍生CoAlO金属氧化物，其表现出优异的催化碳烟燃烧活性.氢气-程序升温还原（H₂-TPR）实验结果表明，K与Co之间的相互作用提高了催化剂的氧化还原性能.X射线光电子能谱（XPS）分析结果表明，K的负载增大了表面Co²⁺/Co³⁺的比例，促进了氧空位的产生，提高了催化剂对气相氧的吸附能力.碳烟-程序升温还原（Soot-TPR）实验结果表明，K的负载增加了表面吸附氧数量.动力学实验结果表明，K的负载增加了单位质量催化剂上的活性氧数量、反应速率和转化频率（TOF），从而提高了催化剂的本征活性.另外，碳烟颗粒可以分散在纳米片的层间，与活性位点的接触效率得到提高，也有利于提高催化碳烟燃烧活性.     

Systematic Profiling and Evaluation of Structure-based Kinase–Inhibitor Interactome in Cervical Cancer by Integrating In Silico Analyses and In Vitro Assays at Molecular and Cellular Levels

Various protein kinases are implicated in the pathogenesis of human cervical cancer and many kinase inhibitors have been used to regulate the activity of protein kinases involved in the disease signaling networks. In the present study, a systematic kinase–inhibitor interactome is created for various small-molecule inhibitors across diverse cervical cancer-related kinases by using ontology enrichment, molecular docking, dynamics simulation and energetics analysis. The interactome profile is examined in detail with heatmap analysis and heuristic clustering to derive promising inhibitors that are highly potential to target the kinome of human cervical cancer in a multi-target manner. A number of hit and unhit inhibitors are selected and their cell-suppressing effects are tested against human cervical carcinoma HeLa, from which several inhibitor compounds with high cytotoxicity are successfully identified. A further kinase assay confirms that these inhibitors can generally target their noncognate kinases HER3 and BRaf in cervical cancer with a high or moderate activity; the activity profile are comparable with or even better than that of cognate kinases inhibitors, with IC₅₀ values ranging between 4.8 and 340.6 nM for HER3 and between 37.2 and 638.2 nM for BRaf. This work would help to identify those unexpected kinase–inhibitor interactions in human cervical cancer and to develop new and efficient therapeutic strategy combating the disease.     

WENO schemes applied to the quasi-relativistic Vlasov–Maxwell model for laser–plasma interaction

In this paper we focus on WENO-based methods for the simulation of the 1D Quasi-Relativistic Vlasov–Maxwell (QRVM) model used to describe how a laser wave interacts with and heats a plasma by penetrating into it. We propose several non-oscillatory methods based on either Runge–Kutta (explicit) or Time-Splitting (implicit) time discretizations. We then show preliminary numerical experiments.     

Easily Scalable Shell-Structured Copper Catalyst with High Activity and Durability for Carbon Dioxide Hydrogenation

Inducing strong metal-support interaction (SMSI) has been a useful way to control the structure of surface active sites. The SMSI often causes the encapsulation of metal particles with an oxide layer. Herein, an amorphous ceria shell was formed on Cu nanoparticles under a mild gas condition with high activity and durability for surface reaction. Cu−Ce solid solution promoted the transfer of surface oxygen species, which induced the ceria shell formation on Cu nanoparticles. This catalyst was used for CO₂ hydrogenation, selectively producing CO with high low-temperature activity and good durability for operation at high temperature. CO₂ activation and H₂ spillover could occur at low temperatures, enhancing the activity. The shell prevented the sintering, assuring durability. This catalyst was applied to a bench-scale reactor without loss in performance, resulting in high CO productivity in all temperature ranges.     

Interfacial Assembly of Nanocrystals on Nanofibers with Strong Interaction for Electrocatalytic Nitrate Reduction

One-dimensional fiber architecture serves as an excellent catalyst support. The orderly arrangement of active materials on such a fiber substrate can enhance catalytic performance by exposing more active sites and facilitating mass diffusion; however, this remains a challenge. We developed an interfacial assembly strategy for the orderly distribution of metal nanocrystals on different fiber substrates to optimize their electrocatalytic performance. Using electrochemical nitrate reduction reaction (NO₃⁻RR) as a representative reaction, the iron-based nanofibers (Fe/NFs) assembly structure achieved an excellent nitrate removal capacity of 2317 mg N/g Fe and N₂ selectivity up to 97.2 %. This strategy could promote the rational design and synthesis of fiber-based electrocatalysts.     

Anomalous Charge Transfer from Organic Ligands to Metal Halides in Zero-Dimensional [(C6H5)4P]2SbCl5 Enabled by Pressure-Induced Lone Pair-π Interaction

Low-dimensional (low-D) organic metal halide hybrids (OMHHs) have emerged as fascinating candidates for optoelectronics due to their integrated properties from both organic and inorganic components. However, for most of low-D OMHHs, especially the zero-D (0D) compounds, the inferior electronic coupling between organic ligands and inorganic metal halides prevents efficient charge transfer at the hybrid interfaces and thus limits their further tunability of optical and electronic properties. Here, using pressure to regulate the interfacial interactions, efficient charge transfer from organic ligands to metal halides is achieved, which leads to a near-unity photoluminescence quantum yield (PLQY) at around 6.0 GPa in a 0D OMHH, [(C₆H₅)₄P]₂SbCl₅. In situ experimental characterizations and theoretical simulations reveal that the pressure-induced electronic coupling between the lone-pair electrons of Sb³⁺ and the π electrons of benzene ring (lp-π interaction) serves as an unexpected “bridge” for the charge transfer. Our work opens a versatile strategy for the new materials design by manipulating the lp-π interactions in organic–inorganic hybrid systems.     

Tandem Guest-Host-Receptor Recognitions Precisely Guide Ciprofloxacin to Eliminate Intracellular Staphylococcus aureus

Staphylococcus aureus (S. aureus) is able to hide within host cells to escape immune clearance and antibiotic action, causing life-threatening infections. To boost the therapeutic efficacy of antibiotics, new intracellular delivery approaches are urgently needed. Herein, by rational design of an adamantane (Ada)-containing antibiotic-peptide precursor Ada-Gly-Tyr-Val-Ala-Asp-Cys(StBu)-Lys(Ciprofloxacin)-CBT ( Cip-CBT-Ada ), we propose a strategy of tandem guest-host-receptor recognitions to precisely guide ciprofloxacin to eliminate intracellular S. aureus. Via guest-host recognition, Cip-CBT-Ada is decorated with a β-cyclodextrin-heptamannoside ( CD-M ) derivative to yield Cip-CBT-Ada/CD-M , which is able to target mannose receptor-overexpressing macrophages via multivalent ligand-receptor recognition. After uptake, Cip-CBT-Ada/CD-M undergoes caspase-1 (an overexpressed enzyme during S. aureus infection)-initiated CBT-Cys click reaction to self-assemble into ciprofloxacin nanoparticle Nano-Cip . In vitro and in vivo experiments demonstrate that, compared with ciprofloxacin or Cip-CBT-Ada , Cip-CBT-Ada/CD-M shows superior intracellular bacteria elimination and inflammation alleviation efficiency in S. aureus-infected RAW264.7 cells and mouse infection models, respectively. This work provides a supramolecular platform of tandem guest-host-receptor recognitions to precisely guide antibiotics to eliminate intracellular S. aureus infection efficiently.