Shandong Science

Study on the medication mechanism of COVID-19 Sanjiao-Cold-Dampness Syndrome based on network pharmacology and molecular docking

DU Hai-tao, WANG Ping, LI Na, DING Jie, ZHANG Jing, YUAN Cheng-min, SUN Tie-feng, HAN Li, ZHANG Zhong-fa

Shandong Science. 2021, 34(1): 1-9. doi:10.3976/j.issn.1002-4026.2021.01.001

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To study a clinical drug combination of COVID-19 Sanjiao-Cold-Dampness Syndrome, network pharmacology and molecular docking mechanism were investigated to analyze the medication mechanism. 77 types of traditional Chinese medicine components and 4760 action targets were screened. GO(gene ontology) analysis and KEGG(kyoto encyclopedia of genes and genomes) enrichment analysis of core targets using the DAVID(the database for amotation,visualization and intergated discovery),mainly involving biological processes such as protein binding,ATP binding and singaling pathways such as PI3-Akt and FOXO. The results of Maestro molecular docking showed that the docking scores of the blood-related drug components and COVID-19 related targets were less than -5. The results show that various active components in the drug team can have a direct antiviral effect by combining with the related targets of SARS-CoV-2 and play a regulatory role in COVID-19 through various biological pathways.

Network pharmacology study of Fritillariae Thunbergii Bulbus - Trichosanthis Fructus compatibility for treating chronic obstructive pulmonary disease based on the BATMAN-TCM online analysis platform

CAO Ming-chen, XU Long, XIN Zhao-yang, FANG Ming-xiang, XING Xiao-min, CHEN Xiao, WANG Chuan, WEI Xin-xin, REN Wei

Shandong Science. 2021, 34(1): 10-20. doi:10.3976/j.issn.1002-4026.2021.01.002

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Based on the bioinformatics analysis tool for molecular mechanism of traditional Chinese medicine (BATMAN-TCM), this study revealed the molecular mechanism of action of Fritillariae Thunbergii Bulbus-Trichosanthis Fructus (FTB-TF) for treating chronic obstructive pulmonary diseases (COPD). The BATMAN-TCM was adopted to predict the potential targets of FTB-TF, whereas the GeneCards database was used to search the targets of COPD. Cytoscape 3.7.1 software was used to construct a compound-disease-target interaction network and protein-protein interaction (PPI) network to conduct gene ontology (GO) enrichment analysis and pathway enrichment analysis based on the Kyoto encyclopedia of genes and genomes (KEGG). A total of 21 types of active ingredients were screened from FTB-TF, and the compound-disease-target network was constructed. The PPI network of FTB-TF targets was established based on STRING, and it included 131 nodes and 236 edges. Examples of the key nodes included ANXA1, EDN1, HDAC1, RXRA, ADRA2A, OXT, and RXRB. The GO enrichment analysis mainly involved ion-gated channel activity, substrate-specific channel activity, passive transmembrane transporter activity, extracellular ligand-gated ion channel activity, neurotransmitter receptor activity, and ligand-gated ion channel activity. The KEGG pathway analysis mostly involved neuroactive ligand-receptor interaction, cAMP signaling pathway, calcium signaling pathway, cholinergic synapse, retrograde endocannabinoid signaling, serotonergic synapse, and dopaminergic synapse. The results suggested that ANXA1 and HDAC1, for instance, were the key targets of FTB-TF. The signaling pathways primarily involved neuroreceptor pathways such as acetylcholine, serotonin, and dopamine. These findings reflected the overall characteristics of the Chinese medicine compound prescription, thereby providing new clues for further research on the molecular mechanism of action of FTB-TF.

Histone deacetylase gene knockout in Penicillium and changes in secondary metabolite production

ZHAO Pei-pei, LIU Hai-rong, YANG Meng, WANG Hong, QI Jun, LIU Chang-heng, XIA Xue-kui

Shandong Science. 2021, 34(1): 21-27. doi:10.3976/j.issn.1002-4026.2021.01.003

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Various secondary metabolites produced by filamentous fungi, especially Penicillium, are becoming an important source of new drugs. Many drugs such as anticancer drugs, antibiotics, and immunosuppressants are derived from fungal secondary metabolites. However, the secondary metabolism of fungi is affected by many factors, among which epigenetic modification plays an important regulatory role. The epigenetic modification by histone acetylation is often associated with transcriptional activation, thereby facilitating the synthesis of secondary metabolites. In this study, Penicillium christenseniae SD-193.84 was used as the research object. Bioinformatics methods were used to identify the histone deacetylase(HDAC) gene. A gene knockout technique based on homologous recombination was established in this fungus to knock out HDAC. Analysis of secondary metabolites was conducted before and after the gene knockout. We found that HDAC affects the synthesis of a variety of secondary metabolites in the fungus. This study provides a reference for molecular genetic manipulation and secondary metabolic regulation in Penicillium.

Characteristics of the analog of electromagnetically induced transparency in case of a polarization-insensitive metamaterial

LI Rong, ZHENG Wen

Shandong Science. 2021, 34(1): 28-34. doi:10.3976/j.issn.1002-4026.2021.01.004

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In this study, an electromagnetically induced transparent metamaterial structure with four metal lines and a ring is proposed. It exhibits the characteristics of horizontal and vertical polarization insensitivity when the electromagnetic wave is perpendicular to its surface. The characteristics of the metamaterial transmission curve and its surface current distribution have been numerically calculated and simulated. Further, the phase propagation curve and group refractive index are calculated and analyzed. The maximum group refractive index can reach up to 380, indicating that the metamaterial can be used to fabricate slow optical devices. When this metamaterial is used to manufacture a refractive index sensor, the D_FOM value is approximately 20.13, indicating a higher sensitivity compared with those of the existing sensors. Results show that the metamaterial can be applied to manufacture slow optical devices and refractive index sensors.

Optimization of phase diagram based on Ti-Nb-Zr ternary system alloy

XU Li-li, XU Yong, XU Rong-fu, WANG Zhi-gang, TIAN Bin , YU Mei-jie

Shandong Science. 2021, 34(1): 35-42. doi:10.3976/j.issn.1002-4026.2021.01.005

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The optimization and calculation of the phase diagram of a Ti-Nb-Zr ternary system were presented using Pandat software. The Gibbs energy of the pure component was described using the expression provided in the scientific group thermodata Europe database. The substitutional solution and two-sublattice models were used to describe the Gibbs energy of the liquid and solid solution phases, respectively. To improve the description of the Ti-Nb-Zr ternary system, the thermodynamic parameters of the Ti-Nb and Ti-Zr systems were obtained using the PanOptimizer module of Pandat software by considering experimental data on phase equilibrium and published thermodynamic properties. The calculations of the phase equilibrium and thermodynamic properties using the proposed description agreed well with the experimental data. The results have important directive significance to the development of Ti-Nb-Zr ternary system biomedical materials.

Optimal envelopment configuration of special vehicles based on railway boundaries

ZHANG Jia-lin, ZHANG Tao-hua, WANG Zhen-zhen, LIU Xiang-xin, LIU Qi

Shandong Science. 2021, 34(1): 43-52. doi:10.3976/j.issn.1002-4026.2021.01.006

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Because of the influence of the basic railway boundaries and security requirements of dynamic turning, the configuration and complex centroid of special vehicles in rail transportation must satisfy the railway boundaries. Focusing on these problems, the boundary design of special vehicles was studied in this article.A mathematical model was derived to calculate the design shape and dimension range of the three-dimensional configuration, including profile- or centroid-centered loading.The largest three-dimensional envelopment configuration for multiple loading modes was designed. Moreover,through the study of the centroid height envelopment area, it was concluded that the centroid height of vehicles between 60 t and 70 t should not exceed 1284~1213 mm, thereby providing a basis for the optimal configuration and centroid for vehicle design.

Customized bus dispatch considering parking penalty on congested roads

CHENG Ren-hui, JIA Shun-ping

Shandong Science. 2021, 34(1): 53-61. doi:10.3976/j.issn.1002-4026.2021.01.007

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To meet the personalized needs of passenger travel in urban industrial agglomeration areas and to alleviate the problem of oversaturation of the road network, a customized bus dispatching model considering parking penalty on congested roads is proposed. First, the operation conditions and scheduling rules are analyzed. Then, the penalty functions for the cost of stopping and picking up passengers as well as violating passenger′s time window are demarcated. A customized bus dispatching decision-making model in response to the real-time demand is established with the goal of optimizing the total cost of the system, including the cost of carrying passenger time, the cost of bus operation time, the cost of violating passenger′s time window penalty and the cost of stopping on congested roads. Improved genetic algorithm and insertion algorithm are designed to solve the problem, and Zhongguancun Software Park is used as an example to verify the effectiveness of the model and algorithm. The results show that the customized bus dispatching model can achieve the expected results with respect to the targets for shift length, full-load ratio, and cost control, thus confirming the feasibility of the model and algorithm.

Prediction of the mode share ratio of middle-and-long distance high-speed passenger transport based on the Panel Mixed Logit model

SHENG Dong-dong, SUN Ming-mei

Shandong Science. 2021, 34(1): 62-71. doi:10.3976/j.issn.1002-4026.2021.01.008

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To solve the problem of mode share change of high-speed railways and civil aviation in middle-and-long distance passenger transport, taking the heterogeneity among passenger groups and the relevance of passenger choices in different scenarios into consideration, the Panel Mixed Logit(PML) model was established, which taking gender, age, and monthly income of passengers as basic property, the cost and time before ,after and during the trip as specific property. NLOGIT was used to estimate the parameters of Traditional Logit, Cross-sectional Mixed Logit, and Panel Mixed Logit models based on the stated preference data of passenger in Beijing-Nanjing transport corridor. Model estimation results show that the PML model has better behavior interpretation capabilities and prediction accuracy. Based on PML model, the simulation method was used to predict the trend of mode share of high-speed railways and civil aviation along with the changes of trip cost and time. The results show that the high-speed railways mode share ratio increases with the increase of trip cost difference value and decreases with the increase of trip time difference value; which is the opposite for civil aviation. It also shows that the trip cost difference value has a more significant effect on the mode share than the trip time difference value.

Strength and modal analysis of the 2AMT shell of an electric vehicle based on ANSYS

XU Hai-gang, ZHANG Jian-wu, LIN Lian-hua, LU Xing-yang

Shandong Science. 2021, 34(1): 72-81. doi:10.3976/j.issn.1002-4026.2021.01.009

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2AMT (two-speed mechanical automatic transmission) is widely studied because it can further improve the power and economy of electric vehicles. 2AMT designing process involves repeated assessments and optimizations to meet the requirements of light-weight, strength, and noise control. The force on the gear, gear shaft, and shell is analyzed when the 2AMT motor is running with maximum torque output. Based on the finite element analysis theory, ANSYS software is used to analyze the strength and modal of the shell, and the analysis results are used to optimize the 2AMT structure. Results show that the 2AMT shell meets the strength requirements, and the optimized structure reduces the maximum deformation by 0.057 mm and the maximum stress by 20 MPa, and its natural frequency can avoid the gear meshing impact frequency in the common speed range.

The reflectance spectra characteristics of soil phosphorus fractions and their spectral model

Shandong Science. 2021, 34(1): 82-88. doi:10.3976/j.issn.1002-4026.2021.01.010

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The spectral model of soil phosphorous (P) has relatively poor stability, mainly owing to the insufficient understanding of its visible and near-infrared spectral characteristics. To this end, we propose a new method to explore the reflectance spectrum of total P using soil residues by sequentially extracting different P fractions. In particular, the reflectance spectra of different P fractions were measured indirectly using the standard whiteboard as the reference spectrum and measured directly using the soil residues as the reference spectrum. The spectral characteristics of these P fractions and their spectral models were analyzed.Both indirect and direct results showed that each P fraction had a specific reflectance spectrum with different spectral characteristics, spectral shapes, reflectance rates, and peak/valley positions. Therefore, they could be qualitatively and quantitatively analyzed by visible and near-infrared spectroscopy (200~1000 nm). Results suggesteed that 250~750 nm is the sensitive band of soil P. This study can provide an important theoretical basis for understanding the reflectance spectrum and predicting the concentrations of total P.

Wind environment assessment based on CFD and urban morphology parameters

GUO Qi-jin, CHANG Fang-qiang, HUANG Qing-xiang

Shandong Science. 2021, 34(1): 89-97. doi:10.3976/j.issn.1002-4026.2021.01.011

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Wind environment has a considerable influence on urban residents′ comfort,which is the focus of urban climate research. Taking Dongcheng District of Daqing City as an example, a wind environment assessment method based on CFD computational fluid dynamics） and urban morphology parameters was studied. First, the wind environment in the central area of the city was simulated by CFD software to obtain the wind speed nephogram. Then, the wind speed nephogram was divided into grids, and the regression equation between grid wind speed ratio and urban shape parameters was obtained by SPSS. Finally, the wind speed ratio of Dongcheng District was calculated by the regression fitting equation, and the wind environment was evaluated. Results show that sky openness and windward area density are the most important urban morphological parameters affecting the wind speed ratio, and the combination of multiple urban morphology parameters can explain the change in wind speed ratio better. Thus, by combining the wind speed ratio calculation equation and wind environment evaluation standard, the bad wind environment areas in a city can be found and relevant optimization suggestions can be proposed.

Application of large material sorting machines in food waste pretreatment

ZHENG Yun-feng, HUANG Xing-gang, ZHANG Li, LIU Cui, ZHU Li-ke, WU Yuan, LIU Jian-liang, YAO Cong

Shandong Science. 2021, 34(1): 98-104. doi:10.3976/j.issn.1002-4026.2021.01.012

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Material sorting at the pretreatment stage of food waste greatly influences the overall treatment process. If the sorting accomplished inappropriately and there are a lot of impurities in the slurry, there will be problems such as serious pipeline wear and high equipment failure rate. Therefore, the better-operating parameter range of the large material sorting machine is explored herein by adjusting the feeding and operating frequencies, making the sorting work more effective. The better operating parameter range can be obtained from the experiment results, that operating frequency of the large material sorting machine is 70 Hz, and the feeding frequency is below 17 Hz. Under this working condition, the current value of the equipment is low and the fluctuation curve is relatively stable. The proportion of organic matter in the sorting material is between 33% and 37%. Compared with other working conditions, the proportion of organic matter is at least 3% lower. Changes in operating conditions have no effect on the composition of the slurry, the sum of organic matter, peel, and bone accounts for more than 98%, and other impurities account for less than 2%.

Synthesis of 6-chloroimidazo[1,2-b]pyrazine-3-carbonitrile

CHENG Wei, CHEN Qi-xu, ZHANG Xiang-long, QI Qi, WANG Ming-jun, LIU Sheng-wei, YUAN Wen-peng

Shandong Science. 2021, 34(1): 105-112. doi:10.3976/j.issn.1002-4026.2021.01.013

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6-chloroimidazo[1,2-b]pyrazine-3-carbonitrile is a major intermediate of BMS-986260, which is a novel TGF-β R1 inhibitor that can be used as an anticancer drug. The synthesis goes through the following five-step reaction process with a total yield of 69.4%: hydrazine hydrate and maleic anhydride are considered as raw materials, acid-catalyzed condensation reaction, chlorination with phosphorus oxychloride, ammonolysis with ammonia water, imidization with N,N-dimethylformamide dimethyl acetal, and ring-closing condensation with bromoacetonitrile. The purity of the obtained product was 98.3%, which was measured via high-performance liquid chromatography (HPLC) at wavelength of 254 nm. The structure was confirmed through ¹H NMR and ¹³C NMR. Compared with the reported synthetic routes, this route exhibits good chemical selectivity, low cost, easy operation, and high yield. Further, it requires no column chromatography separation and is suitable for industrial production.

Design of a control system for the crane-main-beam processing equipment based on PLC

WU Hao, WANG Peng, CHEN Tie, ZHANG Shu-wen

Shandong Science. 2021, 34(1): 113-120. doi:10.3976/j.issn.1002-4026.2021.01.014

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Aiming at the production characteristics and processing mode of crane main beam, a control system of crane main beam processing equipment based on PLC(programmable logic controller) was developed. The hardware composition and software design of the control system and the processing flow of the crane main beam processing equipment were introduced, and the PLC program of each control part was compiled according to the mechanic flow. The designed processing system realizes the automatic production of crane main beam, and it can process a single-section crane girder with a length of 6 m at one time, work efficiency was improved greatly. The practice shows that the system works stably, has high reliability and has practical value in engineering.

Intensity and rain pattern characteristics of short-duration rainstorm

LIU Huan-bin, QIU Can, WANG Rong

Shandong Science. 2021, 34(1): 121-129. doi:10.3976/j.issn.1002-4026.2021.01.015

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The determination of urban rainstorm intensity and rainstorm pattern serves as the basis for scientific planning and rational design of urban drainage systems. Based on the detailed precipitation data from Jinan National Basic Weather Station for 1961—2017, this paper studied the characteristics of short-duration rainstorm intensity and rain pattern change in four different periods using probability distribution model, Chicago method, and co-frequency method: 1961—1990, 1971—2000, 1981—2010, and 1991—2017. The results showed that Jinan′s short-duration rainstorm had been increasing intensity since the 1980s, and this is especially obvious since the 1990s. The short-duration and long-duration strong precipitation were all mainly concentrated in the first half of the precipitation process and had a tendency to postpone. This paper suggests that the local rainstorm intensity formula should be revised every 10 years or when the change rate of the rainstorm intensity exceeds 5%.

A taxonomic study of Trypethelium Lichens in China

YAO Zong-ting , JIANG Shu-hua, JIA Ze-feng

Shandong Science. 2021, 34(1): 130-137. doi:10.3976/j.issn.1002-4026.2021.01.016

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The crustose Trypethelium Lichen belongs to the Trypetheliaceae family, which is the second most diverse family among corticolous lichens after Graphidaceae. At present, there is no systematic study on this genus in China. Herein, we revealed the phylogenetic relationships of lichens of the genus Trypethelium by processing the samples collected from Guangdong, amplifying their ITS and LSU sequences, and constructing phylogenetic trees of the species. We also provided relevant descriptions and discussions of the reported species in China, as well as their taxonomic key.

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