A RT-FDTD method of analyzing wireless propagation characteristics in underground mine.

Efficient communication is crucial in reducing injuries and fatalities in coal mine accidents, necessitating the study of simulation methods for mine communication. When transceiver antennas are positioned close to the same side of the tunnel, the simulation results from the Ray Tracing (RT) method exhibit significant errors. Additionally, the Finite-Difference Time-Domain (FDTD) method demands substantial computational resources. In response to these challenges, we propose a RT-FDTD method, guided by the law of conservation of energy. This approach involves dividing the mine tunnel into a cuboidal region, using the RT method to calculate the electric field strength on the cuboid's surface, and then employing this as the excitation source for the FDTD method. Subsequently, the FDTD method is used to calculate the electric field strength within the cuboid. Experimental results demonstrate that the RT-FDTD method effectively mitigates the limitations of the RT and FDTD methods, enhancing both the efficiency and accuracy of simulations in underground mine.

Construction of hierarchical layered hydroxide grown in situ on carbon tubes derived from a metal-organic framework for asymmetric supercapacitors.

Electrode materials are very important for the performance of supercapacitors (SCs). Therefore, preparation of hybrid electrode materials is an effective way to develop high-performance SCs. We firstly design and prepare metal organic framework (MOF) derived carbon nanotubes as the core skeleton to support the shell of a nickel gallium layered hydroxide nanosheet (NiGa-LDH). MOF derived carbon nanomaterials have high conductivity and a large specific surface area, which can promote electron transfer and improve the agglomeration of LDH. The deposited LDH can provide high specific capacitance and the layered structure can further enhance the reaction site. The NiGa-LDH@CNT-500@CC has an excellent specific capacitance of 2580 F g-1 at 1 A g-1 and a high capacitance retention rate of 83.3% at 5 A g-1 due to the synergistic effect of two materials. The assembled NiGa-LDH@CNT-500@CC//carbon NS asymmetric supercapacitor (ASC) has an operating voltage of 1.6 V and a high energy density of 52 W h kg-1 at a power density of 952 W kg-1. Therefore, the core-shell structure composed of LDH and carbon nanomaterials provides an effective way for the design of high-performance electrodes.

Enantioselective recognition of amino acid based on electrochemical deposition and X-ray diffraction technology.

Addition of D-Asp in the electrochemical deposition process of Bismuth film resulted the generation of a new diffraction peak in X-ray diffraction (XRD) spectrum. This phenomenon was not observed in the situation of L-Asp. The new diffraction peak might suggest D-Asp could result in the generation of a specific Bismuth structure. Enantioselective recognition of D- and L-Asp can be realized based on this new XRD peak. The limit of detection was determined to be 3.5 × 10-8 and 1.7 × 10-8 mol L-1 for D- and L-Asp, respectively. The XRD spectra of electrodeposited Copper films fabricated in the presence of D- or L-Asp showed different lattice plane diffraction peak intensity ratios. The reason was believed to be chirality induced different binding capabilities of Asp enantiomers that influenced Copper film growth. Therefore, the combination of electrochemical deposition using Copper as metal source and XRD technology can be used to achieve enantioselective recognition of Asp. The limit of detection for D- and L-Asp were determined to be 1.5 × 10-10 and 1.2 × 10-11 mol L-1, respectively.

Effect of glyphosate on X-ray diffraction of copper films prepared by electrochemical deposition.

In the process of electrochemical deposition of metals, the additives can directly affect the final morphology of the metal. Using glyphosate as the additive, copper thin films were prepared by the electrochemical deposition method from a CuSO4 aqueous solution under a specific voltage. The copper thin films were grown on the surface of the indium tin oxide (ITO) film, which was used as the working electrode in a classical three-electrode cell. Glyphosate combined with the copper ion to form a complex, and hindered further reduction and crystallization of the copper ions. The results indicated that the peak intensities of the X-ray diffraction peaks decreased with the increase in the glyphosate concentrations, which can be used as a basis for quantitative detection. The method is simple and highly sensitive.

Molecular Modeling and Design Studies of Purine Derivatives as Novel CDK2 Inhibitors.

Cyclin-dependent kinase 2 (CDK2) is a potential target for treating cancer. Purine heterocycles have attracted particular attention as the scaffolds for the development of CDK2 inhibitors. To explore the interaction mechanism and the structure⁻activity relationship (SAR) and to design novel candidate compounds as potential CDK2 inhibitors, a systematic molecular modeling study was conducted on 35 purine derivatives as CDK2 inhibitors by combining three-dimensional quantitative SAR (3D-QSAR), virtual screening, molecular docking, and molecular dynamics (MD) simulations. The predictive CoMFA model (q² = 0.743, r pred 2 = 0.991), the CoMSIA model (q² = 0.808, r pred 2 = 0.990), and the Topomer CoMFA model (q² = 0.779, r pred 2 = 0.962) were obtained. Contour maps revealed that the electrostatic, hydrophobic, hydrogen bond donor and steric fields played key roles in the QSAR models. Thirty-one novel candidate compounds with suitable predicted activity (predicted pIC50 > 8) were designed by using the results of virtual screening. Molecular docking indicated that residues Asp86, Glu81, Leu83, Lys89, Lys33, and Gln131 formed hydrogen bonds with the ligand, which affected activity of the ligand. Based on the QSAR model prediction and molecular docking, two candidate compounds, I13 and I60 (predicted pIC50 > 8, docking score > 10), with the most potential research value were further screened out. MD simulations of the corresponding complexes of these two candidate compounds further verified their stability. This study provided valuable information for the development of new potential CDK2 inhibitors.

Core bioactive components promoting blood circulation in the traditional Chinese medicine compound xueshuantong capsule (CXC) based on the relevance analysis between chemical HPLC fingerprint and in vivo biological effects.

Compound xueshuantong capsule (CXC) is an oral traditional Chinese herbal formula (CHF) comprised of Panax notoginseng (PN), Radix astragali (RA), Salvia miltiorrhizae (SM), and Radix scrophulariaceae (RS). The present investigation was designed to explore the core bioactive components promoting blood circulation in CXC using high-performance liquid chromatography (HPLC) and animal studies. CXC samples were prepared with different proportions of the 4 herbs according to a four-factor, nine-level uniform design. CXC samples were assessed with HPLC, which identified 21 components. For the animal experiments, rats were soaked in ice water during the time interval between two adrenaline hydrochloride injections to reduce blood circulation. We assessed whole-blood viscosity (WBV), erythrocyte aggregation and red corpuscle electrophoresis indices (EAI and RCEI, respectively), plasma viscosity (PV), maximum platelet aggregation rate (MPAR), activated partial thromboplastin time (APTT), and prothrombin time (PT). Based on the hypothesis that CXC sample effects varied with differences in components, we performed grey relational analysis (GRA), principal component analysis (PCA), ridge regression (RR), and radial basis function (RBF) to evaluate the contribution of each identified component. Our results indicate that panaxytriol, ginsenoside Rb1, angoroside C, protocatechualdehyde, ginsenoside Rd, and calycosin-7-O-ß-D-glucoside are the core bioactive components, and that they might play different roles in the alleviation of circulation dysfunction. Panaxytriol and ginsenoside Rb1 had close relevance to red blood cell (RBC) aggregation, angoroside C was related to platelet aggregation, protocatechualdehyde was involved in intrinsic clotting activity, ginsenoside Rd affected RBC deformability and plasma proteins, and calycosin-7-O-ß-D-glucoside influenced extrinsic clotting activity. This study indicates that angoroside C, calycosin-7-O-ß-D-glucoside, panaxytriol, and protocatechualdehyde may have novel therapeutic uses.