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Modification to solution-diffusion model for performance prediction of nanofiltration of long-alkyl-chain ionic liquids aqueous solutions based on ion cluster

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Green Energy & Environment 2020年第1期5卷 105-113页

作者： Jianguo Qian Ruiyi Yan Xiaomin Liu Chunshan Li Xiangping Zhang Key Laboratory of Green Process and Engineering Beijing Key Laboratory of Ionic Liquids Clean ProcessState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China College of Chemistry and Chemical Engineering University of Chinese Academy of SciencesBeijing100049China

Mathematical modeling for nanofiltration of ionic liquids(ILs) solutions could assist to understand transfer mechanism and predict experimental values. In this work, modeling by solution-diffusion model for nanofiltration of long-alkyl-chain ILs aqueous solutions was proposed. Molecular simulations were performed to validate the existence of ion cluster in long-alkyl-chain ILs aqueous solution. Based on the results of simulations, parameters used in the solution-diffusion model were modified, such as concentration of ILs and diameter of ion *** modeling process was developed for three long-alkyl-chain ILs aqueous solutions with different concentrations(1-alkyl-3-methylimidazolium chloride: [C6 mim]Cl, [C8 mim]Cl, [C10 mim]Cl). The calculated values obtained from modified solution-diffusion model could well match the experimental values.

关键词： Solution-diffusion model Nanofiltration Long-alkyl-chain ionic liquid Molecular dynamic simulation Ion cluster

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Performance evaluation on chemical looping oxidative dehydrogenation of ethane via Fe2O3@SiO2 oxygen carriers

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Fuel 2025年 400卷

作者： Wang, Zhichao Liang, Wei Li, Meixin Yang, Xiantan Sun, Zhongshun Yang, Bolun Sun, Bing Wu, Zhiqiang Shaanxi Key Laboratory of Energy Chemical Process Intensification School of Chemical Engineering and Technology Xi'an Jiaotong University Shaanxi Xi'an710049 China State Key Laboratory of Chemical Safety SINOPEC Research Institute of Safety Engineering Co. Ltd. Qingdao266071 China

Precise control of the matching between lattice oxygen migration rates and surface reaction rates is a key challenge in designing oxygen carriers for the partial oxidation of lower alkanes. In this study, the introduction of SiO2 dispersion successfully facilitated the nanostructuring of the oxygen carrier, significantly tuning the reactivity of lattice oxygen in the Fe2O3 redox oxygen carrier, thereby enabling efficient ethylene production in the chemical looping oxidative dehydrogenation (CL-ODH) of ethane. The incorporation of SiO2 effectively reduced the particle size of the Fe2O3 oxygen carrier, increasing the number of active sites and promoting efficient and well-regulated lattice oxygen migration. Under single-cycle conditions involving the processing of 120 mL of ethane at 700 °C, the Fe2O3 oxygen carrier exhibited a well-balanced match between lattice oxygen mobility and surface reaction kinetics, achieving an ethane conversion of 41.0 % and an ethylene selectivity of 60.1 %. This study provides a highly active CL-ODH oxygen carrier and offers an effective technical approach for the future large-scale industrial production of ethane chemical looping oxidative dehydrogenation. © 2025 Elsevier Ltd

关键词： Dehydrogenation

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Behavioural analysis and dynamic simulation of the debris flow that occurred in Ganluo County(Sichuan, China) on 30 August 2020

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Journal of Mountain Science 2022年第6期19卷 1495-1508页

作者： LI Nuo-dong LIU Wei ZHAO Jin-heng Chengdu Power Supply Company of State Grid Sichuan Electric Power Company Chengdu 610041China Key Laboratory of Mountain Hazards and Surface Process Institute of Mountain Hazards and EnvironmentChinese Academy of SciencesChengdu 610041China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Hydraulics and Mountain River Engineering Sichuan UniversityChengdu 610065China Department of Water Hydropower and Construction Engineering Skill Training Center of State Grid Sichuan Electric Power CompanyChengdu 610000China

On August 30, 2020, a high-intensity storm that dropped 45.4 mm of rain in 5 hours hit the Heixiluo basin and triggered a landslide-generated debris flow event, causing fatalities and damage. The original source of the debris flow was a large slope collapse on a steep hillside. The fallen debris mass was enlarged through sediment entrainment and slope collapse and ultimately buried a bridge at the gully entrance. Approximately 6.9×10;m;of material, including sediments and collapsed slope deposits in the gullies, was entrained, and the maximum erosion depth reached 17 m. A geomorphological analysis was initially performed based on a detailed field investigation to recognize the liquid and solid sources of the debris flow and the areas subjected to deposition and erosion. A map of the erosiondeposition distribution was obtained based on preand post-event DEMs. Using the rainfall estimated by the nearest rain gauge and the solid source estimated by the DEMs, runoff and debris flow propagation was simulated using a liquid-solid two-phase model that considers the effects of runoff and entrainment. The similarity between the estimated and simulated deposition-erosion volumes was satisfactory. The behaviour of debris flows captured in the simulation is broadly in line with the main features of the observed event.

关键词： Debris flow Formation analysis Two-phase model Dynamic simulation

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Continuous Blood Gas Control Based on Active Disturbance Rejection Control During Ex Vivo Porcine Liver Perfusion

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Artificial Organs 2025年第6期49卷 967-976页

作者： Zhao, Yilong Lyu, Xin Sun, Zhen Zhang, Xiaoliang Cen, Jin Yang, Tianhang Xu, Xiaoliang Xing, Wenhui Zhao, Sihan Wang, Bidou Luo, Gangyin Division of Life Science and Medicine University of Science and Technology of China Hefei China Suzhou Institute of Biomedical Engineering and Technology Chinese Academy of Sciences Suzhou China State Key Laboratory of Cell Biology Center for Excellence in Molecular Cell Science Shanghai Institute of Biochemistry and Cell Biology Chinese Academy of Sciences University of Chinese Academy of Sciences Shanghai China Hainan Academy of Medical Sciences Hainan Medical University Hainan Haikou China

Background: Membrane oxygenators facilitate extracorporeal gas exchange, necessitating the monitoring of blood gas. Recent advances in normothermic machine perfusion (NMP) for ex vivo liver offer solutions to the shortage of donor liver. However, maintaining physiological blood gas levels during prolonged NMP is complex and costly. Methods: We introduce a noninvasive and economical approach for regulating the blood gas during NMP of ex vivo porcine livers. By monitoring gas fractions at the outlet of oxygenator, real-time adjustments of blood gas can be made without the online blood gas analyzer. The method involves constructing multivariate linear regression (MLR) models, aligning target setpoints of gas, and employing active disturbance rejection control (ADRC) to achieve closed-loop regulation. Results: Ex vivo porcine liver perfusion experiments demonstrated the effectiveness of the method, maintaining blood gas within physiological levels over 24 h (oxygen partial pressure: 150.36 ± 3.33 mmHg, carbon dioxide partial pressure: 41.34 ± 0.91 mmHg). Conclusion: ADRC-based continuous regulation of gas fraction at the outlet of oxygenator is a feasible and effective approach for managing blood gas during ex vivo porcine liver perfusion. © 2025 International Center for Artificial Organ and Transplantation (ICAOT) and Wiley Periodicals LLC.

关键词： Disturbance rejection

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A Low-Voltage Apparatus Assembly Quality Inspection Network Based on ConvNeXt 6

A Low-Voltage Apparatus Assembly Quality Inspection Network ...

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6th International Conference on Intelligent Autonomous Systems, ICoIAS 2023

作者： Bao, Yicheng Guo, Haorui Hu, Songyu Yao, Xinhua Li, Li Zhang, Yinglin Polytechnic Institute Zhejiang University Hangzhou China College of Mechanical Engineering Zhejiang University The State Key Laboratory of Fluid Power and Mechatronic Systems Hangzhou China College of Mechanical Engineering Zhejiang University Key Laboratory of 3D Printing Process and Equipment of Zhejiang Province Hangzhou China Zhejiang Chint Electric Co. Ltd. Yueqing China

ISBN: (纸本)9798350371253

Assembly quality inspection, which aims to detect misplaced, missing, and broken defects in products and classify defective products from normal ones, plays a significant role in ensuring the final quality of low-voltage apparatus. The huge production quantity makes manual inspection time-consuming and laborious, and consistency difficult to guarantee. This paper proposes a ConvNeXt-based classification network that introduces the 3D non-parametric attention module SimAM Block and adapts output accordingly. It fully integrates features of different scales and levels to obtain rich contour texture and semantic information of low-voltage apparatuses. The experimental results show this method has an accuracy of 97.6% on the test dataset of low-voltage apparatus images. Ablation experiments verify the improved module framework. © 2023 IEEE.

关键词： Defects

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Triticeae-BGC:a web-based platform for detecting,annotating and evolutionary analysis of biosynthetic gene clusters in Triticeae

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Journal of Genetics and Genomics 2023年第11期50卷 921-923页

作者： Mingxu Li Haoyu Wang Shilong Tian Yan Zhu Yijing Zhang State Key Laboratory of Genetic Engineering Collaborative Innovation Center of Genetics and DevelopmentDepartment of BiochemistryInstitute of Plant BiologySchool of Life SciencesFudan UniversityShanghai 200438China National Key Laboratory of Plant Molecular Genetics CAS Center for Excellence in Molecular Plant SciencesShanghai Institute of Plant Physiology and EcologyShanghai Institutes for Biological SciencesChinese Academy of SciencesShanghai 200032China State Key Laboratory of Crop Stress Adaptation and Improvement School of Life SciencesCollege of AgricultureHenan UniversityKaifengHenan 457004China

Triticeae species encompass many important crops including wheat,barley,and rye,which are essential for ensuring human survival and world food *** of genes involved in stress responses are common in Triticeae genomes,which contributed to the high adaptability of Triticeae *** metabolites are key weapons for plants to deal with changing ***,metabolic enzymes generally underwent diversifying selection depending on the environments.

关键词： Tri crops analysis

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In-vivo Polyvalent Aptamer@Protein-Based Nanocarrier with Synergistic Charge Effect for High Drug Loading,High Nuclease Resistance,and High Receptor Accessibility

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CCS Chemistry 2025年第5期7卷 1411-1423页

作者： Yu Zhang Qian Dong Jiaxiang Xiao Xingru Fang Wenwen Huang Qi Li Zhuo Chen Honglin Liu Weihong Tan China Light Industry Key Laboratory of Meat Microbial Control and Utilization School of Food and Biological EngineeringEngineering Research Center of Bio-processMinistry of EducationHefei University of TechnologyHefei 230601 Molecular Science and Biomedicine Laboratory(MBL) State Key Laboratory of Chemo/Biosensing and ChemometricsCollege of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082 The Cancer Hospital of the University of Chinese Academy of Sciences(Zhejiang Cancer Hospital) Institute of Basic Medicine and Cancer(IBMC)Chinese Academy of SciencesHangzhouZhejiang 310022 Institute of Molecular Medicine Renji HospitalShanghai Jiao Tong University School of Medicineand College of Chemistry and Chemical EngineeringShanghai Jiao Tong UniversityShanghai 200240

Aptamers are of great interest in biomedical applications,for example,sensing,imaging,and targeted delivering,but face crucial challenges,particularly regarding in vivo ***,we developed a nanocarrier based on polyvalent aptamer-protein,named pAPNC,made of bovine serum albumin(BSA)core and polyvalent XQ-2d aptamer *** possessed outstanding properties in biostability,signal amplification,drug-loading efficiency,and cancer cell *** normalized to the same amounts of XQ-2d,pAPNC shows improved stability in serum and DNase I nuclease for 72 h and 96 h;exhibits a 30%higher affinity towards CD71 receptor than XQ-2d,a 5-fold improved loading efficiency of Dox molecules than XQ-2d;and provides prolonged in vivo imaging capability than XQ-2d in mice *** improved loading efficiency comes from intricate protein-DNA interactions and synergistic charge effects within DNA chains,enhanced resistance to nucleases owing to effects of stereo-hindrance,electrostatic repulsion,and gathering of XQ-2d aptamers on BSA *** normalized to the same and ultralow 1.6 nM of Dox,pAPNC@Dox can damage 52.5%cancer cells,an improvement of 49%compared to free Dox and 23%compared to XQ-2d@Dox,which is due to the enhanced nuclease resistance and receptor *** pioneering platform holds great promise for revolutionizing targeted therapeutic interventions and imaging modalities in biomedical settings.

关键词： aptamer nanocarrier nuclease resistance receptor accessibility drug-loading efficiency stability

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Molecular Dynamics Study on the Stability of Nanobubbles: From Stretch to Compression

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Langmuir : the ACS journal of surfaces and colloids 2025年第22期41卷 2025 May 29页

作者： Sheng Mi Yu Zhang Wei Ge School of Chemical Engineering and Technology Tianjin University Tianjin 300072 China. State Key Laboratory of Mesoscience and Engineering Institute of Process Engineering (IPE) Chinese Academy of Sciences (CAS) Beijing 100190 China. School of Chemical Engineering University of Chinese Academy of Sciences Beijing 100049 China.

This work systematically investigates the stable states of argon vapor nanobubbles emerging in bulk liquid under either stretch or compression using molecular dynamic simulation. Thermodynamic conditions including the average density of argon atoms in the system, scale of the simulation box, and temperature are changed in various simulation cases. A new approach that considers the curvature effect of the gas-liquid interface on surface tension was proposed to distinguish the phase boundary of the nanobubble, by which the stability of the nanobubble is analyzed. The stable states of nanobubbles are judged by time-averaging the system pressure at equilibrium: positive system pressure means that the nanobubble is compressed, while negative pressure means that the nanobubble is stretched. By decreasing the average argon density, increasing the system scale, or increasing the temperature, the stable state of argon vapor nanobubbles changes from stretch to compression. Under higher compression, the phase interfaces are vague and deformable and the nanobubble destabilization temperature is closer to the critical temperature. The Laplace pressure becomes lower, and the decrease in system pressure due to nanobubble destabilizing is less significant under compression than under stretch.

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Heparin mimetics as potential intervention for COVID-19 and their bio-manufacturing

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Synthetic and Systems Biotechnology 2023年第1期8卷 11-19页

作者： Lan Jiang Tianji Zhang Hongzhong Lu Saijuan Li Kangjie Lv Alex Tuffour Lixin Zhang Kan Ding Jin-Ping Li Hongmei Li Xueting Liu Department of Cardiothoracic Surgery Children’s Hospital of Nanjing Medical UniversityNanjing210093China State Key Laboratory of Bioreactor Engineering East China University of Science and TechnologyShanghai200237China Division of Chemistry and Analytical Science Key Laboratory of Chemical Metrology and Applications on Nutrition and Health for State Market RegulationNational Institute of MetrologyBeijing100029China State Key Laboratory of Microbial Metabolism and School of Life Sciences and Biotechnology Shanghai Jiao Tong UniversityShanghai200240China Glycochemistry&Glycobiology Lab Key Laboratory of Receptor ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai201203China International Research Center for Soft Matter Beijing University of Chemical TechnologyBeijing100029China Department of Medical Biochemistry and Microbiology University of UppsalaUppsalaSweden

The COVID-19 pandemic has caused severe health problems worldwide and unprecedented decimation of the global ***,after more than 2 years,many populations are still under pressure of ***,a broader perspective in developing antiviral strategies is still of great *** by the observed multiple benefits of heparin in the treatment of thrombosis,the potential of low molecular weight heparin(LMWH)for the treatment of COVID-19 have been *** applications found that LMWH decreased the level of inflammatory cytokines in COVID-19 patients,accordingly reducing ***,several in vitro studies have demonstrated the important roles of heparan sulfate in SARS-CoV-2 infection and the inhibitory effects of heparin and heparin mimetics in viral *** clinical observations and designed studies argue for the potential to develop heparin mimetics as anti-SARS-CoV-2 drug *** this review,we summarize the properties of heparin as an anticoagulant and the pharmaceutical possibilities for the treatment of virus infection,focusing on the perspectives of developing heparin mimetics via chemical synthesis,chemoenzymatic synthesis,and bioengineered production by microbial cell *** ultimate goal is to pave the eminent need for exploring novel compounds to treat coronavirus infection-caused diseases.

关键词： Heparin Biosynthesis Biological activities Bio-production

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纳米多晶316L奥氏体不锈钢高温蠕变行为的原子尺度研究

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Acta Mechanica Sinica 2023年第5期39卷 19-27页

作者：王冰王千罗容阚前华古斌 Key Laboratory of Testing for Manufacturing Process Ministry of EducationSchool of Manufacturing Science and EngineeringSouthwest University of Science and TechnologyMianyang621010China Tianjin Key Laboratory of Composite&Functional Materials School of Materials Science and EngineeringTianjin UniversityTianjin300072China Institute of Applied Mechanics State Key Laboratory of Traction PowerSouthwest Jiaotong UniversityChengdu610031China Applied Mechanics and Structure Safety Key Laboratory of Sichuan Province School of Mechanics and Aerospace EngineeringSouthwest Jiaotong UniversityChengdu611756China

通过分子动力学模拟研究了纳米多晶316L奥氏体不锈钢在不同峰值应力下的高温蠕变变形行为和蠕变机制.数值模拟结果表明纳米多晶316L奥氏体不锈钢的高温蠕变变形是由位错、晶粒内部和晶界扩散以及晶界滑移之间的交互作用引起.在初始蠕变... 详细信息

通过分子动力学模拟研究了纳米多晶316L奥氏体不锈钢在不同峰值应力下的高温蠕变变形行为和蠕变机制.数值模拟结果表明纳米多晶316L奥氏体不锈钢的高温蠕变变形是由位错、晶粒内部和晶界扩散以及晶界滑移之间的交互作用引起.在初始蠕变和稳态蠕变阶段,纳米多晶316L奥氏体不锈钢高温蠕变的主导性机制是晶粒内部和晶界的扩散以及晶界的滑移.在加速蠕变阶段,一些晶界被摧毁后,位错滑移成为纳米多晶316L奥氏体不锈钢的主要蠕变机制.这项工作旨在揭示纳米多晶316L奥氏体不锈钢的高温蠕变机理,为增强型抗蠕变316L奥氏体不锈钢的设计和制造提供指导.

关键词： 316L austenitic stainless steels Creep Molecular dynamics simulation Dislocation Diffusion Grain boundaries sliding

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