Table of Content

20 December 2022 Volume 35 Issue 6

  

Traditional Chinese Medicine and Natural Active Products

Separation and purification of polyphenols from Taraxaci Herba by counter-current chromatography

GAO Jie, SONG Xiang-yun, MA Tian-yu, LIU Feng, ROMAN Kachan, WANG Xiao

Shandong Science. 2022, 35(6):  1-7.  doi:10.3976/j.issn.1002-4026.2022.06.001

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Six polyphenolic compounds were separated and extracted from Taraxaci Herba through a combination of pH-zone-refining counter-current chromatography (pH-ZRCCC) and high-speed counter-current chromatography (HSCCC). In pH-ZRCCC,ethyl acetate-acetonitrile-water (4:1:5, V/V) was selected as the solvent system, trifluoroacetic acid (10 mmol/L) was added to the upper phase as the stationary phase, and ammonia (10 mmol/L) was added to the lower phase as the mobile phase. Caffeic acid (60.2 mg with a purity of 98.1%), p-hydroxycinnamic acid (6.3 mg with a purity of 98.8%), and mixture A (590 mg) were separated from 1.6 g of crude ethyl acetate extract of Herba Taraxaci. After further using HSCCC, petroleumether-ethyl acetate-methanol-water (1:4:1:4, V/V) was selected as the solvent system.Consequently, 1-O-caffeoylglycerol (7.7 mg with a purity of 82.2%), 3,4-dihydroxyphenylacetic acid (5.4 mgwith a purity of 24.8%), protocatechuic acid (6.2mg with a purity of 95.3%) and p-hydroxyphenylacetic acid (3.4 mgwith a purity of 89.0%) were obtained from 400 mg of mixture A.The method has a large preparation volume and good reproducibility, and is suitable for the separation and purification of Taraxaci Herba polyphenol compounds.

Optimization of the column chromatographic purification of total flavonoids extracted from Ginkgo biloba using Box-Behnken design and response surface method

BI Yan-yan, MA Qing-wen, XU Hui, LIU Jian, LONG Rui, TANG Wei-ming, GUO Tian-tian, HAO Da-wei

Shandong Science. 2022, 35(6):  8-15.  doi:10.3976/j.issn.1002-4026.2022.06.002

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The study’s aim was to obtain Ginkgo biloba extract with a high mass fraction of total flavonoids. On the basis of single-factor test, the sample concentration, ethanol volume fraction, eluate volume, and elution flow rate were used as the investigation factors and the mass fraction and yield of total flavonoids extracted from G. biloba were used as the investigation indicators. Box-Behnken design (BBD) and response surface method were used to optimize the column chromatography process for purifying the total flavonoids extracted from G. biloba. Optimal purification was achieved by using a sample concentration of 3.1 mg/mL, ethanol volume fraction of 71%, eluate volume of 2 BV (BV is the column void volume), and elution flow rate of 2 BV/h. Under the optimal conditions, three batches of verification experiments were conducted. The average mass fraction of total flavonoids in the G. biloba extract reached 35.77%, and the yield was 93.30%. The mass fraction of total lactones in the G. biloba extract reached the standards of The Pharmacopoeia of the People's Republic of China. Using BBD and response surface method for optimizing the column chromatography process for the purification of total flavonoids is scientific, reasonable, and feasible.This study can be used as a reference for the industrial production of total flavonoids.

Optimization of extraction process and antioxidant activity of Angelica sinensis volatile oil

GUO Tian-tian, FANG Zhao-ying, LIU Zhen-yuan, ZHANG Wei, BI Yan-yan, SUN Yan, GUAN Yong-xia

Shandong Science. 2022, 35(6):  16-23.  doi:10.3976/j.issn.1002-4026.2022.06.003

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To determine the most optimal extraction process for angelica volatile oil and its antioxidant activity. In this experiment, authentic Angelica sinensis was used as the test material and the single factor and response surface analysis methods were adopted. The particle size of angelica granules, water addition ratio, and extraction time were investigated. In addition, volatile oil yield was evaluated, and the volatile oil extraction process was optimized. Under the conditions of this process, the volatile oil of A. sinensis was extracted, and the antioxidant activity of the volatile oil was determined based on the DPPH free radical scavenging rate. The results showed that the optimum process parameters were particle size of 24 mesh, water addition ratio of 6, and extraction time of 7 h. Under these conditions, the extraction rate of volatile oil from A. sinensis was high.The antioxidant assay showed that when the concentration of A. sinensis volatile oil was 1.2 mg/mL, the DPPH radical scavenging rate was 51.9%. The process optimized by the single factor and response surface model was stable, and the extraction rate of the volatile oil was high. The volatile oil produced under these conditions had good antioxidant activity, which can provide scientific and rational guidance for clarifying and optimizing the process parameters for extracting A. sinensis volatile oil.

Pharmacology and Toxicology

Exploration of the rule and network mechanism of traditional Chinese medicine in the treatment of constipation

LIU Shuang, DONG Hong-jing, ZHANG Yan-yan, WANG Xiao, LIU Wen-wen

Shandong Science. 2022, 35(6):  24-32.  doi:10.3976/j.issn.1002-4026.2022.06.004

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The mechanism of traditional Chinese medicine (TCM) for treating constipation was clarified based on data mining methods and network pharmacology. Articles related to the treatment of constipation with TCM compound prescriptions were retrieved from CNKI, VIP, and WANFANG databases. The articles that met the requirements were selected, and the drug frequency, association rules, and cluster analysis of TCM compound prescriptions were analyzed. The chemical compounds and targets of core TCM were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, and the disease targets were retrieved from GeneCards, OMIM, and TTD databases. The potential targets were screened using the Venny platform. The STRING and DAVID databases were used to analyze the potential mechanism. Molecular docking was done using AutoDock software. The results indicated that 85 TCM compound prescriptions were selected. Twenty-five medicine types were used more than 10 times, among which Atractylodis Macrocephalae Rhizoma had the highest frequency of use. The result of association rules showed that Atractylodis Macrocephalae Rhizoma-Astragali Radix and Atractylodis Macrocephalae Rhizoma-Astragali Radix-Angelicae Sinensis Radix were the most supported combinations. The medicines were divided into five categories by cluster analysis. Atractylodis Macrocephalae Rhizoma, Angelicae Sinensis Radix, Aurantii Fructus Immaturus, and Cannabis Fructus were regarded as core medicines. Network pharmacology analysis findings revealed that the mechanism of core TCM for treating constipation was chemical compounds acting on AKT1, which then regulated pathways, such as those in cancer, the PI3K-Akt signaling pathway, and the p53 signaling pathway, to exert pharmacological effects. This study provided a theoretical basis for TCM compound prescriptions to treat constipation, as well as a new idea for further investigation and development of TCM compound prescriptions.

Exploring the mechanism of Salviae Miltiorrhizae Radix Et Rhizoma in treating plasma cell mastitis based on network pharmacology and molecular docking

PAN Wu-liang, ZHANG Jiang-yu, XU Chun-yan, ZENG Yi, PAN Zong-yu, YOU Yuan-yuan

Shandong Science. 2022, 35(6):  33-41.  doi:10.3976/j.issn.1002-4026.2022.06.005

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This study aimed to preliminarily analyze the mechanism of action of Salviae Miltiorrhizae Radix Et Rhizoma in the treatment of plasma cell mastitis using network pharmacology and study the affinity of active ingredients in Salviae Miltiorrhizae Radix Et Rhizoma to the main targets of plasma cell mastitis using molecular docking technology, so as to prove that the selected active ingredients can indeed bind to the disease targets. We used traditional Chinese medicine’s pharmacology database and analysis platforms to screen for the effective active ingredients in Salviae Miltiorrhizae Radix Et Rhizomaand and the related targets of these ingredients to construct a traditional Chinese medicine-ingredient-target network. Using the GeneCard and DisGeNET databases to screen for the highly correlated gene targets of plasma cell mastitis, the drug ingredient targets were mapped to disease gene targets. The drug-ingredient-target-disease network was obtained, and the potential active ingredients of the drug and gene targets were obtained by analyzing the network. The potential targets were imported into the STRING database to construct a protein-protein interaction network. Biological functions and metabolic pathways of potential targets were analyzed using the DAVID database. The highly correlated active ingredients were screened, and their targets underwent molecular docking, where IL-6, ICAM1, and PGR having the highest correlation with plasma cell mastitis were selected, and their three-dimensional protein structure was found in the PDB database. Next, the molecular structure of the active ingredients of Salviae Miltiorrhizae Radix Et Rhizoma was found in the Zinc database. The proteins were docked to the molecules using Autodock 4.0 software, and 59 effective active ingredients of traditional Chinese medicine and 132 of its related targets as well as 125 disease-related targets were obtained. A total of 10 potential targets of action, BCL2L1, EDNRA, ERBB2, ICAM1, IFNG, IL-4, IL-6, NR3C1, PGR, and STAT3, were obtained after mapping; 14 biological processes were found after Gene Ontology enrichment analysis; and 16 signaling pathways were screened after Kyoto Encyclopedia of Genes and Genomes analysis, which mainly included breast cancer, cancer signaling, Cushing’s syndrome, and NF-κB signaling pathways, among others. Molecular docking showed that the screened active ingredients of the drug did have a greater affinity to the potential targets of action. This study has preliminarily identified the material basis of Salviae Miltiorrhizae Radix Et Rhizoma miltiorrhiza in the treatment of plasma cell mastitis and revealed that the treatment of this disease using Salviae Miltiorrhizae Radix Et Rhizoma is regulated by multiple ingredients, targets, and pathways.

Mechanism of Clematidis Radix Rhizoma in the treatment of rheumatoid arthritis based on network pharmacology and molecular docking

JIANG Ye-ke, CHEN Yan, PAN Ling-yu, HAN Yan-quan, HE Ning, WANG Yong-zhong

Shandong Science. 2022, 35(6):  42-49.  doi:10.3976/j.issn.1002-4026.2022.06.006

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This study aimed to explore the mechanism of Clematidis Radix Rhizoma in the treatment of rheumatoid arthritis based on network pharmacology and molecular docking. Traditional Chinese medicine systems pharmaclogy database and analysis platform database, PubChem, and SwissTargetPrediction database were used to screen the active ingredients of Clematidis Radix Rhizoma and their targets. The targets of rheumatoid arthritis were predicted using OMIM database and GeneCards database. Venn diagram was used to obtain the intersection targets of Clematidis Radix Rhizoma and rheumatoid arthritis. Protein interaction network was constructed using STRING database and imported into Cytoscape3.7.1 to obtain core targets. DAVID database was used for Gene Ontology(GO) analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG) analysis. AutoDock Vina1.5.6 was employed to perform molecular docking of key active ingredients and core targets. The key active ingredients in Clematidis Radix Rhizoma, such as oleanolic acid, β-sitosterol, stigmasterol, and 3-epioleanolic acid, act on core targets, such as MAPK3, PTGS2, and CYP19A1, and play a role in the treatment of rheumatoid arthritis by regulating arachidonic acid metabolic pathway and ovarian steroidogenesis. The result of molecular docking suggested that the key active ingredients had good binding activity with the core targets. In this paper, the key active ingredients, core targets, and related pathways of Clematidis Radix Rhizoma in the treatment of rheumatoid arthritis were preliminarily discussed, serving as a reference for clinical application of Clematidis Radix Rhizoma.

Using network pharmacology and molecular docking to determine the mechanism of Cnidii Fructus in the treatment of breast cancer

KE Chang-hu, PAN Chang-jiang, YAN Hui, LIU Jia-ling, CHEN Miao, LI Zhi-hao

Shandong Science. 2022, 35(6):  50-57.  doi:10.3976/j.issn.1002-4026.2022.06.007

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The study aimed to investigate the potential therapy targets and pharmacological mechanism of Cnidii Fructus for the treatment of breast cancer using network pharmacology and molecular docking. The active components of Cnidii Fructus and the potential targets of active components were obtained via the traditional Chinese medicine systems pharmacology database and analysis platform, and the gene conversions were obtained using the UniProt database. The targets of breast cancer were retrieved from GeneCards and OMIM database. The Venn online software was used to obtain the common targets of drug and disease, and then the drug-compound-target-disease network diagram was constructed using the Cytoscape 3.7.2 software. The STRING database was employed to draw the protein-protein interaction network. Further, the DAVID database was used to perform gene ontology function and Kyoto encyclopedia of genes and genomes pathway enrichment analysis on the effective targets, and the AutoDock software was used to verify the molecular docking of active components and core targets. The results revealed that 17 active components of the Cnidii Fructus regulated 19 targets and 56 pathways to treat breast cancer. The four key compounds were beta-sitosterol, (E)-2,3-bis(2-keto-7-methoxy-chromen-8-yl)acrolein, stigmasterol, and osthol, which generally mediate pathways in cancer, proteoglycans in cancer, focal adhesion, PI3K-Akt, and other signaling pathways. These pathways are mediated via HSP90AA1, JUN, PRKACA, KDR, and other key targets to exert the anti-breast cancer effects. The study preliminarily reveals the molecular mechanism of Cnidii Fructus against breast cancer and provides a theoretical basis for the clinical application of Cnidii Fructus and its related research on breast cancer.

Identification of metabolites of isochlorogenic acid A in rats based on UHPLC-Q-Exactive Orbitrap MS

DENG Zhi-peng, ZHANG Xiao, TIAN Hai-tao

Shandong Science. 2022, 35(6):  58-64.  doi:10.3976/j.issn.1002-4026.2022.06.008

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Rats were intragastrically administered with isochlorogenic acid A to identify the metabolites in their feces, urine, and plasma. Rat feces, urine, and plasma samples were collected at different time points after intragastric administration of isochlorogenic acid A at a dose of 20 mg/kg. The treated samples were analyzed via UHPLC-Q-Exactive Orbitrap MS. According to the relative retention time, mass/charge ratio, and characteristic fragment ions, 10 metabolites including the parent compound were identified. Among them, four metabolites from feces and six from urine samples were obtained. the main metabolic pathways included hydrogenation, methylation, glucuronidation, and sulfatation. The study identified the metabolites of isochlorogenic acid A in rats, clarified the pharmacodynamic material basis of isochlorogenic acid A, and provided the material basis for further research and development.

Microbiology of Agriculture

Optimization of growth and spore-producing conditions of salt-tolerant Trichoderma atroviride TW320 and Trichoderma koningiopsis TW1876

HU Guang-yan, ZHAO Zhong-juan, YANG He-tong

Shandong Science. 2022, 35(6):  65-73.  doi:10.3976/j.issn.1002-4026.2022.06.009

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The effects of different pH, medium, carbon source, nitrogen source, and C/N ratios on the colony growth and spore yield of two salt-tolerant Trichoderma strains, Trichoderma atroviride TW320 and Trichoderma. koningiopsis TW1876, were studied in order to optimize the growth and spore production conditions of the two strains. The results showed that the salt-tolerant T. atroviride TW320 could grow and produce spores on potato dextrose agar (PDA) medium with a pH of 4 to 11, and the optimum pH for mycelial growth and spore production was 5. On soybean corn flour medium, TW320 grew the fastest and produced the most spores. The best carbon source for TW320 mycelial growth and sporulation was xyaccharide, respectively, and the best nitrogen source for TW320 was yeast extract. When the C/N ratio is 12:1, TW320 produces the most spores. The optimum pH for mycelial growth and sporulation of T. koningiopsis TW1876 was 11, and the optimal medium was PDA. TW1876 has the highest sporulation capacity, with lactose being the best carbon source, glycine being the best nitrogen source, and the C/N ratio being 9:1.

Soil conditioner and Trichoderma LTR-2 combined application for remediation of continuous cropping obstacle soil in Brassica chinensis L.

WANG Yi-lian, HUANG Ding-li, WEI Yan-li, LI Hong-mei, YANG Hong-tong, LI Ji-shun

Shandong Science. 2022, 35(6):  74-79.  doi:10.3976/j.issn.1002-4026.2022.06.010

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To explore the measures for safely producing leafy vegetables and remediation effects of Brassica chinensis in continuous cropping obstacles soil, the greenhouse plot experiment was conducted in this study using soil with conditioner combined with Trichoderma LTR-2, taking soil pH, soil conductivity, disease control efficiency, and yield increase rate as evaluation indexes. According to the results of soil nutrient content, the experiment of fertilizer reduction. The results showed that the soil pH increased from 4.50 to 6.95 and soil conductivity decreased from 675.10 to 519.70 μS/cm after treatment with a 7 500 kg/hm² conditioner. Compared with before fertilization, soil pH decreased and soil conductivity increased in B (conditioner + organic fertilizerⅠ+ compound fertilizer) and C (conditioner + organic fertilizerⅠ+ LTR-2 + compound fertilizer) treatment groups after fertilization. After one stubble of planting, pH value decreased from 6.43 and 6.57 to 6.06 and 6.26, respectively, and soil conductivity decreased from 1 011.43 and 959.47 μS/cmto 955.70 and 863.43 μS/cm, respectively. Compared with the conventional treatment group A (organic fertilizerⅡ+ compound fertilizer), there were significant differences in soil pH and soil conductivity in B and C treatment groups before and after Brassica chinensis vegetated. The control effects of root rot were 65.39% and 80.77%, and the yield increase rates were 27.48% and 33.59% in treatment groups B and C, respectively. The available nutrients of A, B, and C had different excess accumulations in the soil. Compared with conventional treatment A' (organic fertilizer III + compound fertilizer), under 66.67% compound fertilizer reduction, the yield increase rate of treatment group D' (organic fertilizerⅠ+ LTR-2 + 1/3 compound fertilizer) was 9.31%.

Energy and Power

Characteristics and energy-saving potential of a distributed energy system in the oilfield joint station based on pinch analysis

XU Tao, XU Fei, LIU Wei

Shandong Science. 2022, 35(6):  80-91.  doi:10.3976/j.issn.1002-4026.2022.06.011

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Currently, Shengli Oilfield has entered the period of ultrahigh water cut, thereby increasing the difficulty of exploitation and raising the cost of oil production. Energy conservation has become the main factor for controlling the cost of oil-production plants. The distributed energy system based on natural gas can be constructed by combining gas turbine or gas internal combustion engine for power generation and flue gas-driven heat pump for the recovery from sewage and heating crude oil. Energy-flow analysis and optimization can be achieved through pinch analysis of a traditional joint station and a joint station distributed energy system. Based on the energy-flow model of a gas internal combustion engine under variable working conditions, the combustion calculation of a gas internal combustion engine is performed via thermal simulation and the pinch analysis is conducted for a traditional joint station that heats crude oil via water jacket heating furnace. Based on the lithium bromide-absorption heat pump energy-flow model driven via flue-gas heat, the pinch point analysis is conducted for the distributed energy system of the joint station. A comparative analysis of the joint station distributed energy system and the traditional joint station is performed. The energy-saving potential of the joint station distributed energy system can reach 24%, contributing to the realization of the “carbon peaking and carbon neutrality” goal.

Thermodynamic analysis of combined cooling,heating and power system based on solar hydrogen production/high-temperature proton-exchange membrane fuel cell

SONG Rui, JI Feng-jun, SONG Ju-xing, HAN Ji-tian

Shandong Science. 2022, 35(6):  92-102.  doi:10.3976/j.issn.1002-4026.2022.06.012

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A combined cooling, heating, and power system based on solar hydrogen production and high-temperature proton-exchange membrane fuel cell is developed in this study. A mathematical model of the system is built using the Matlab software to analyze the operation conditions of the system under rated working condition. The key design parameters, such as the pressure swing adsorption separation rate, current density, and working temperature of the high-temperature proton-exchange membrane fuel cell are studied emphatically to explore their impact on exergy efficiency; primary energy efficiency; and the cooling, heating, power loads of the system. The results demonstrate that the combined cooling, heating, and power system can provide the power load of 236.68 kW, heating, and cooling loads of 1 180.30 kW, and 165.14 kW, respectively, during a 6 h hydrogen production period under the design flow rate of input methanol. The system can output power, heating, and cooling loads of 2.30 × 10⁷, 2.55 × 10⁷,and 1.43 × 10⁷ kJ every 24 h. The 24 h exergy and the primary energy efficiency of the system are 69.18% and 91.96% respectively. Further, it is observed that the largest exergy loss occurs in the burning room, heat exchanger 3, and solar reforming-reaction generator.

Optical Fiber and Photonic Sensing Technology

Study on CO₂ detecting system based on spectrum absorption

GONG Wei-Hua, ZHANG Ting-Ting, WEI Yu-Bin, WANG Zhao-Wei, LI Yan-Fang, ZHANG Qin-Duan, LIU Tong-Yu, ZHANG Wei

Shandong Science. 2022, 35(6):  103-108.  doi:10.3976/j.issn.1002-4026.2022.06.013

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To meet the application requirements of real-time carbon dioxide (CO₂)-gas online monitoring, this paper proposes an online detection system for the CO₂ gas based on tunable diode laser absorption spectroscopy according to the theory of Beer-Lambert law. The selected absorption spectrum wavelength of the system is 1 609.583 nm. Futher, two reference optical paths are built to eliminate the signal fluctuation of the light source and automatically detect the absorption peak to improve the stability and accuracy of the detection system. The calibration of the system shows that the relative measurement error of the system is less than 0.8%, the system repeatability is less than 0.06%, and the response time is less than or equal to 18 s. Continuous monitoring of CO₂ in the air for 4 h shows that the fluctuation range of the volume fraction measurement is 360×10^-6 to 400×10^-6. The system has good stability and reliability and can meet the application requirements of real-time CO₂ gas online monitoring.

Design of flow-velocity sensor based on double fiber Bragg gratings

MA Long, ZHANG Fa-xiang, LIU Xiao-hui, WANG Ying-ying, WANG Chang, LI Hui

Shandong Science. 2022, 35(6):  109-115.  doi:10.3976/j.issn.1002-4026.2022.06.014

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A double fiber Bragg grating (FBG) flow-velocity sensor is designed for measuring the flow velocity. The sensor mainly comprises shell, FBG measuring module, and fixture. The sensitivity and dynamic range are tested, and the influence of different temperature and pressure on the performance of the sensor is analyzed. The sensitivity of the fiber-optic flow sensor is 76 mm/s, and the flow velocity is measured in the range of 0 to 1.2 m/s. The sensor is insensitive to temperature and ambient pressure and can meet the needs of flow-velocity measurement in the fields of the exploitation and transportation of oil and gas as well as the oceans and rivers.

Traffic and Transportation

Impact of foundation pit dewatering and excavation with suspended waterproof curtain on adjacent high-speed railway piers

LI Peng-ju, QIAN Lin-gen, WU Qiang, HUANG Shan, CHEN Su

Shandong Science. 2022, 35(6):  116-122.  doi:10.3976/j.issn.1002-4026.2022.06.015

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In the case of a deep aquifer, a suspended waterproof curtain is typically used in foundation pit engineering. The depth of the waterproof curtain exerts a crucial impact on the deformation of surrounding surface and buildings owing to dewatering and excavation of foundation pit. To study the impact of the dewatering and excavation of foundation pit on the deformation of adjacent high-speed railway piers under different depths of the waterproof curtain, a three-dimension finite element software was used to numerically simulate the dewatering and excavation of a subway station foundation pit in Suzhou. Results show that with increasing depth of the waterproof curtain, the settlement of piers adjacent to the foundation pits gradually decreases. When the depths of the waterproof curtain are 41 and 91 m, the pier settlements of the high-speed railway are 31.88 and 4.18 mm, respectively. Moreover, the settlement of the pier meets the control requirements (≤5 mm) only if the depth of the waterproof curtain exceeds 91 m.

Diversion parking guidance strategy of shared bicycles under reward mechanism considering user preference

PENG Peng, JIA Shun-ping

Shandong Science. 2022, 35(6):  123-130.  doi:10.3976/j.issn.1002-4026.2022.06.016

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To alleviate the random-parking problem of shared bicycles due to insufficient parking spaces, this paper proposes a diversion guidance strategy for parking shared bicycles and sets the corresponding reward measures according to user behavior. A survey of stated preference is designed to obtain the user behavior choice preference data. Subsequently, the Logit model is used to analyze the data and build a reward mechanism to encourage the diversion parking by shared-bicycle users. Moreover, a multiobjective optimization model is constructed for minimizing enterprise cost and maximizing transfer parking demand. Yongtaizhuang subway station in Xisanqi is used as an example to examine the practical operability of this strategy. Results show that the user acceptance of the proposed strategy is 60%, and 58.33% of the excessive parking demand is successfully transferred. This strategy can mitigate the problem of insufficient parking spaces for shared bicycles to a certain degree and provides effective suggestions for managing the parking of shared bicycles.