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Hydration lubrication modulated by water structure at TiO2–aqueous interfaces

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Friction 2024年第4期12卷 591-605页

作者： Pingsu MA yuan LIU Ke han yu TIAN Liran MA State Key Laboratory of Tribology in Advanced Equipment Department of Mechanical EngineeringTsinghua UniversityBeijing 100084China

The nature of solid-liquid interfaces is of great significance in *** advances have been made in lubrication based on hydration ***,a detailed molecular-level understanding is still ***,we investigated water molecule behaviors at the TiO2-aqueous interfaces by the sum-frequency generation vibrational spectroscopy(SFG-VS)and atomic force microscope(AFM)to elucidate the fundamental role of solid-liquid interfaces in *** contributions of water structures and hydration effects were revealed,where water structures played the dominant role in lubrication for TiO2 surfaces of varying hydrophilicity,while hydration effects dominated with the increasing of ion *** lubrication is observed on the initial TiO2 surfaces with strongly H-bonded water molecules compared to the hydrophilic TiO2 surfaces with more disordered *** stable ordered water arrangement with strong hydrogen bonds and the shear plane occurring between the ordered water layer and subsequent water layer may play a significant role in achieving lower *** adsorbed hydrated molecules with the increasing ionic concentration perturb ordered water but lead to the enhancement of hydration effects,which is the main reason for the improved lubrication for both *** work provides more insights into the detailed molecular-level understanding of the mechanism of hydration lubrication.

关键词： hydration lubrication interfacial water structures hydration effects titanium dioxide(TiO2)

Optimization of Gas Production from Hydrate-Bearing Sediments with Fluctuation Characteristics

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Journal of Ocean University of China 2024年第3期23卷 618-632页

作者： LI Yaobin XU Tianfu XIN Xin yu han yuan Yilong ZHU Huixing Key Laboratory of Groundwater Resources and Environment Ministry of EducationJilin UniversityChangchun 130021China Jilin Provincial Key Laboratory of Water Resources and Environment Jilin UniversityChangchun 130021China

As an important source of low-carbon,clean fossil energy,natural gas hydrate plays an important role in improving the global energy consumption *** the hydrate industry in the South China Sea is important to achieving‘carbon peak and carbon neutrality’goals as soon as ***-water areas subjected to the action of long-term stress and tectonic movement have developed complex and volatile terrains,and as such,the morphologies of hydrate-bearing sediments(HBSs)fluctuate *** key to numerically simulating HBS morphologies is the establishment of the conceptual model,which represents the objective and real description of the actual geological ***,current numerical simulation models have characterized HBSs into horizontal strata without considering the fluctuation *** representing the HBS as a horizontal element reduces simulation ***,the commonly used horizontal HBS model and a model considering the HBS’s fluctuation characteristics with the data of the SH2 site in the Shenhu Sea area were first constructed in this ***,their production behaviors were compared,and the huge impact of the fluctuation characteristics on HBS production was *** this basis,the key parameters affecting the depressurization production of the fluctuating HBSs were studied and *** research results show that the fluctuation characteristics have an obvious influence on the hydrate production of HBSs by affecting their temperatures and pressure distributions,as well as the transmission of the pressure drop and methane gas ***,the results show that the gas productivity of fluctuating HBSs was about 5%less than that of horizontal *** optimizing the depressurization amplitude,well length,and layout location of vertical wells,the productivity of fluctuating HBSs increased by about 56.6%.

关键词： natural gas hydrate numerical simulation fluctuation characteristics depressurization production production well optimization

Efficacy and safety of electroacupuncture for insomnia:A systematic review and meta-analysis

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Journal of Integrative Medicine 2024年第4期22卷 459-472页

作者： han-yu Xu Lin-na Wu yuan Zhang Te Ba Xiao-feng Zhao Acupuncture and Moxibustion Department First Teaching Hospital of Tianjin University of Traditional Chinese MedicineTianjin 300193China National Clinical Research Center for Chinese Medicine Acupuncture and Moxibustion Tianjin 300193China

Background:Electroacupuncture is often used to treat ***:To evaluate the efficacy and safety of electroacupuncture for *** strategy:Databases including PubMed,Cochrane Library,Embase,Web of Science,Chinese Biomedical Literature Database,China National Knowledge Infrastructure,Wanfang Data and VIP Fulltext e-Journals Database were searched up to January 15,*** criteria:Randomized clinical trials were included if they compared the clinical efficacy and safety of electroacupuncture with sham acupuncture,no treatment or usual care (UC) and general *** extraction and analysis:The full texts of the studies were reviewed to remove ineligible *** extracted data included authors,publication year,diagnostic criteria,sample size,population characteristics,interventions and *** above steps were performed independently by two reviewers and the data were cross ***15.0 software was used to analyze the extracted outcome *** continuous data (Pittsburgh Sleep Quality Index[PSQI]score and Insomnia Severity Index score),weighted mean difference (WMD) was calculated and 95% confidence interval (CI) was reported when the same scale was *** dichotomous variables (clinical response rate and adverse events),a meta-analysis was performed using risk ratio (RR) as the effect ***:Thirty-one trials with 2226 subjects were *** meta-analysis suggested that electroacupuncture was more effective in improving insomnia compared with the control group (sham acupuncture,no treatment,UC and general acupuncture)(RR=1.21;95 CI:[1.16,1.27]),significantly reducing the PSQI score in insomnia patients after treatment and at follow-up (WMD=-3.23;95%CI:[-4.29,-2.17];P<0.001).There was no significant difference in the incidence of adverse events between the EA and control groups (sham acupuncture and no treatment or ***=1.48;95%CI:[0.91,2.40];P=0.117).In addition,the regression results revealed t

关键词： Electroacupuncture Insomnia Systematic review Meta-analysis

Design and Coupled Thermo-Mechanical Analysis of Silicon Carbide Primary Mirror Assembly

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Chinese Journal of Aeronautics 2006年第B12期19卷 62-65页

作者： han yuan-yuan ZhanG yu-min han Jie-cai Center for Composite Materials Harbin Institute of Technology Harbin 150080 China

Based on the principle that the thermal expansion coefficient of the support structure should match that of the mirror, three schemes of primary mirror assembly were designed. Of them, the first is fused silica mirror plus 4J32 flexible support plus ZTC4 support back plate, the second K9 mirror plus 4J45 flexible support plus ZTC4 support back plate, and the third SiC mirror plus SiC rigid support back plate. A coupled thermo-mechanical analysis of the three primary mirror assemblies was made with finite element method. The results show that the SiC assembly is the best of all schemes in terms of their combination properties due to its elimination of the thermal expansion mismatch between the materials. The analytical results on the cryogenic property of the SiC primary mirror assembly show a higher surface finish of the SiC mirror even under the cryogenic condition.

关键词： silicon carbide primary mirror assembly design coupled thermo-mechanical analysis

Network Pharmacology and Molecular Docking Analysis of the Mechanisms of Combined Radix Bupleuri(Chai-Hu) and Radix Paeoniae Alba(Bai-Shao) Treatment in the Prevention and Treatment of Alzheimer's Disease

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World Journal of Traditional Chinese Medicine 2024年第2期10卷 254-262页

作者： Zhao-han Huang yuan Fang Qi yu Tong Wang College of Traditional Chinese Medicine Beijing University of Chinese MedicineBeijingChina Shanghai Center for Women and Children's Health ShanghaiChina

Objective: Radix Bupleuri and Radix Paeoniae Alba are referred to as Chai-Hu and Bai-Shao, respectively, in Chinese. We used molecular docking and network pharmacological approaches to explore the active components of this Chinese herb combination which is commonly used for treating Alzheimer's disease(AD), the Chai-Hu and Bai-Shao pair(CBP). Materials and Methods: The active compounds and action targets of Chai-Hu and Bai-Shao were identified in the Traditional Chinese Medicine Systems Pharmacology database, and the Therapeutic Target Database, Drug Bank, Gen Cards, Dis Ge NET, and Online Mendelian Inheritance in Man databases were used to identify therapeutic targets in patients with AD. To identify a common target of CBP in the treatment of AD, we used the Metascape tool to perform Gene Ontology function enrichment and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses. In addition, CBP-AD protein–protein interaction(PPI) and herb-component-target networks were created using Cytoscape 3.8.2. Molecular docking was verified using Auto Dock tools. Results: We identified 20 active compounds of CBP, 202 active targets, 1,323 disease targets, and 117 active compound disease intersection targets;the PPI network showed that the top eight key targets were AKT1, interleukin(IL) 6, JUN, MAPK1, tumor necrosis factor, TP53, vascular endothelial growth factor, and epidermal growth factor. These act mainly on the fluid shear stress, atherosclerosis, IL-17, hypoxia-inducible factor-1, and nonalcoholic fatty liver disease pathways, among others, which control immune inflammation, cell proliferation, and apoptosis. Based on molecular docking results, the active components of CBP bind well to its key targets. Conclusion: Our results indicated that CBP was effective for treating AD by reducing the expression of inflammatory factors, promoting cell proliferation and differentiation, and preventing nerve cell death and anti-neuronal cell apoptosis.

关键词： Alzheimer's disease Bai-Shao Chai-Hu molecular docking network pharmacology

Composite laminar membranes for electricity generation from water evaporation

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Nano Research 2024年第1期17卷 307-311页

作者： Xiao Wang Gang yuan han Zhou yu Jiang Shuo Wang Jiaojiao Ma Chongyang Yang Sheng Hu State Key Laboratory of Physical Chemistry of Solid Surfaces Collaborative Innovation Center of Chemistry for Energy Materials(iChEM)College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China Innovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province(IKKEM) Xiamen 361005China Pen-Tung Sah Institute of Micro-Nano Science and Technology Xiamen UniversityXiamen 361005China

Harvesting clean energy from water evaporation has been extensively investigated due to its *** achieve high efficiency,energy conversion materials should contain multiple features which are difficult to be simultaneously obtained from single-component *** we use composite laminar membranes assembled by nanosheets of graphene oxide and mica,and find a sustained power density induced by water evaporation that is two orders of magnitude larger than that from membranes made by either of the *** power output is attributed to selective proton transport driven by water evaporation through the interlayer nanochannels in the *** process relies on the synergistic effects from negatively charged and hydrophilic mica surfaces that are important for proton selectivity and water transport,and the tunable electrical conductivity of graphene oxide that provides optimized internal *** demonstrated composite membranes offer a strategy of enhancing power generation by combining the advantages from each of their components.

关键词： graphene oxide mica water evaporation electrical double layer surface charge ion selectivity

Trial application of the envelope method to the potential ambiguity problem

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Nuclear Science and Techniques 2024年第1期35卷 73-80页

作者： Li-yuan Hu yu-Shou Song Fundamental Science on Nuclear Safety and Simulation Technology Laboratory Harbin Engineering UniversityHarbin 150001China College of Nuclear Science and Technology Harbin Engineering UniversityHarbin 150001China Key Laboratory of Nuclear Safety and Advanced Nuclear Energy Technology Ministry of Industry and Information TechnologyHarbin 150001China

The optical potential ambiguity is a long-standing problem in the analysis of elastic scattering *** a specific collid-ing system,ambiguous potential families can lead to different behaviors in the nearside and farside scattering *** contrast,the envelope method can decompose the experimental data into two components with negative and positive deflection angles,***,a question arises as to whether the comparison between the calculated nearside(or farside)component and the derived positive-deflection-angle(or negative-deflection-angle)component can help analyze the potential ambiguity *** this study,we conducted a trial application of the envelope method to the potential ambiguity *** envelope method was improved by including uncertainties in the experimental *** colliding systems of 16O+28Si at 215.2 MeV and 12C+12C at 1016 MeV were considered in the *** each colliding system,the angular distribution experimental data were described nearly equally well by two potential sets,one of which is“surface transpar-ent”and the other is *** calculated angular distributions were decomposed into nearside and farside scattering *** the improved envelope method,the experimental data were decomposed into the positive-deflection-angle and negative-deflection-angle components,which were then compared with the calculated nearside and farside *** capability of the envelope method to analyze the potential ambiguities was also discussed.

关键词： Elastic scattering Optical potential ambiguities Envelope method Nearside/farside decomposition

Azocalixarenes: a scaffold of universal excipients with high efficiency

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Science China Chemistry 2024年第5期67卷 1697-1706页

作者： yu-Xin yue Yi-Lin Lin Meng-Meng Chen han-Wen Tian Rong Ma Ze-han Wang Fang-yuan Chen yu-Chen Pan Dong-Sheng Guo College of Chemistry State Key Laboratory of Elemento-Organic ChemistryKey Laboratory of Functional Polymer Materials(Ministry of Education)Frontiers Science Center for New Organic MatterCollaborative Innovation Center of Chemical Science and Engineering(Tianjin)Nankai UniversityTianjin 300071China

Excipients are important components of pharmaceutical preparations that affect their quality, safety, and efficacy. Macrocyclic receptors are a family of supramolecular excipients with several advantages, including molecular-level protection, small sizes,fast kinetics of host-guest recognition, and modular construction. With the continuous advances in the medical field, personalized and precision medicine requires the development of excipients with low dosages, integrated modifying effects, universality,and controlled release. To meet these requirements, we have developed a new family of macrocyclic excipients based on calixarenes by integrating their covalent(broad chemical design space) and noncovalent(wide range of substrates) ***, azocalixarenes(Azo CAs) were designed, showing high binding affinities to a broad spectrum of active pharmaceutical ingredients(APIs), selectivity to interferents, and responsiveness to hypoxic microenvironments. Due to their highly efficient and controllable recognition, Azo CAs serve as low-dose excipients for 30 APIs. Molecular encapsulation by Azo CAs results in the integrated modification of the physicochemical properties of APIs, including solubility, stability, bioavailability,and biocompatibility. Moreover, Azo CAs can be reduced by azoreductases overexpressed in hypoxic microenvironments,leading to the controlled release of APIs. Collectively, Azo CA excipients have broad application prospects for a series of diseases such as enteritis, arthritis, stroke, cancer, bacterial infection and kidney injury, with diverse therapeutic modalities,including chemotherapy, photodynamic therapy, photothermal therapy, immunotherapy, boron neutron capture therapy, radiotherapy, fluorescence imaging, and their combinations.

关键词： supramolecular chemistry host-guest systems excipient calixarene molecular recognition

Data-driven discovery of linear dynamical systems from noisy data

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Science China(Technological Sciences) 2024年第1期67卷 121-129页

作者： WANG YaSen yuan Ye FANG HuaZhen DING han School of Mechanical Science and Engineering Huazhong University of Science and TechnologyWuhan 430074China State Key Lab of Digital Manufacturing Equipment and Technology Huazhong University of Science and TechnologyWuhan 430074China School of Artificial Intelligence and Automation Huazhong University of Science and TechnologyWuhan 430074China Department of Mechanical Engineering University of KansasLawrence 66045USA

In modern science and engineering disciplines,data-driven discovery methods play a fundamental role in system modeling,as data serve as the external representations of the intrinsic mechanisms within ***,empirical data contaminated by process and measurement noise remain a significant obstacle for this type of *** this study,we have developed a data-driven method capable of directly uncovering linear dynamical systems from noisy *** method combines the Kalman smoothing and sparse Bayesian learning to decouple process and measurement noise under the expectation-maximization framework,presenting an analytical method for alternate state estimation and system ***,the discovered model explicitly characterizes the probability distribution of process and measurement noise,as they are essential for filtering,smoothing,and stochastic *** have successfully applied the proposed algorithm to several simulation *** results demonstrate its potential to enable linear dynamical system discovery in practical applications where noise-free data are intractable to capture.

关键词： system identification sparse Bayesian learning Kalman smoothing process and measurement noise