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Effects of polyurethane/functionalised carbon nanotube interfacial interactions on tensile and compressive properties - molecular dynamics simulations

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MOLECULAR PHYSICS 2024年第18期122卷

作者： wang, Zilin wang, xuwen Huang, Xiaoyong Li, Yaqin wang, Wenfei Fu, Yizheng North Univ China Sch Mat Sci & Engn Taiyuan Peoples R China Shanxi Prov Key Lab Funct Nanocomposites Taiyuan Peoples R China Luoyang Ship Mat Res Inst Luoyang Peoples R China North Univ China Sch Mat Sci & Engn Taiyuan 030051 Peoples R China Shanxi Prov Key Lab Funct Nanocomposites Taiyuan 030051 Peoples R China

In order to understand the enhancement mechanism of the interaction between functionalised carbon nanotubes and polymer matrix, and to investigate the effects of different functionalised carbon nanotubes on the properties of composites at the microscopic level, the models of pure polyurethane (PUR), carbon nanotubes/polyurethane (CNTs/PUR), hydroxyl-functionalised carbon nanotubes/polyurethane (CNTOH/PUR), and carboxyl-functionalised carbon nanotubes/polyurethane (CNTCOOH/PUR) systems were constructed, and molecular dynamics methods were used to simulate the effects of different functionalised carbon nanotubes on the mechanical properties of polyurethane composite systems. The effects of different functionalised carbon nanotubes on the properties of PUR composite systems were compared by analysing the properties of PUR and its composite systems in terms of free volume fraction (FFV), radial distribution function (RDF), binding energy, and density distribution of PUR around different functionalised carbon nanotubes. The effects of intermolecular interactions on the properties of the composite systems were elucidated at the microscopic level. The final simulation results show that the CNTCOOH/PUR composite system with added carboxylated CNTs has the highest tensile yield strength, compressive properties and modulus;the smallest free volume fraction;the strongest bonding energy between CNTCOOH and PUR matrix, the largest density distribution of PUR matrix around CNTCOOH, and the best interfacial interaction. [GRAPHICS] .

关键词： Molecular dynamics simulations PUR functionalised carbon nanotubes interfacial interactions

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Employing supercritical n-butanol to remove the EVA film for the delamination of photovoltaic laminated module

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JOURNAL OF SUPERCRITICAL FLUIDS 2025年 219卷

作者： wang, xuwen Liu, Zhifeng Ruan, Haoda Li, Xinyu Zhang, Lei Hefei Univ Technol Sch Mech Engn Hefei 230009 Peoples R China Anhui Prov Key Lab Low Carbon Recycling Technol & Hefei 230009 Peoples R China State Key Lab Environm Adaptabil lndustrial Prod Guangzhou 510300 Peoples R China

The rapid advancement of the photovoltaic (PV) industry has elevated the recycling and reuse of decommissioned PV modules to critical challenges, essential for tackling environmental concerns and achieving resource reutilization. To facilitate the efficient layering of PV modules and recovery of valuable materials, this study proposes a PV module degradation and recycling process utilizing supercritical n-butanol. A systematic evaluation was conducted to assess the effects of various factors on the dissolution ratio of PV modules, with an appropriate range of process parameters selected for optimization. A second-order regression model was developed to predict the dissolution ratio of the EVA film. Comparison of actual dissolution ratio with model predictions confirmed the high accuracy of the fitted model. Finally, characterization and elemental analysis of cells recovered from the supercritical process demonstrated the effectiveness of this recycling method, achieving more thorough degradation on the cell surfaces.

关键词： Photovoltaic Supercritical n-butanol Degradation Recycling Characterization

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Impact of implementing a free varicella vaccination policy on incidence in Wuxi City, China: an interrupted time series analysis

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EPIDEMIOLOGY & INFECTION 2023年第1期151卷 e125-e125页

作者： Xiu, Shixin wang, xuwen wang, Qiang Jin, Hui Shen, Yuan Wuxi Ctr Dis Control & Prevent Dept Immunizat Wuxi Peoples R China Southeast Univ Sch Publ Hlth Dept Epidemiol & Hlth Stat Nanjing Peoples R China Southeast Univ Sch Publ Hlth Key Lab Environm Med Engn Minist Educ Nanjing Peoples R China

Varicella vaccination is optional and requires self-payment. On 1 December 2018, Wuxi City launched a free varicella vaccination program for children. This study aimed to evaluate the changes in varicella incidence before and after the implementation of the policy. The data were obtained from official information systems and statistical yearbooks. We divided the period into chargeable (January 2017 to November 2018) and free (December 2018 to December 2021) periods. Interrupt time series analysis was used to conduct a generalised least-squares regression analysis for the two periods. A total of 51,071 varicella cases were reported between January 2017 and December 2021. After the implementation of the policy, there was a statistically significant decrease in the incidence of varicella (& beta;2 = -0.140, P = 0.017), and the slope of the incidence also decreased by 0.012 (P = 0.015). Following policy implementation, the incidence decreased in all age groups, with the largest decline observed among children aged 8-14 years (& beta;2 = -1.109, P = 0.009), followed by children aged & LE;7 years (& beta;2 = -0.894, P = 0.013). Our study found a significant reduction in the incidence of varicella in the total population after the introduction of free varicella vaccination in Wuxi City.

关键词： children expanded program of immunisation incidence interrupt time series Varicella vaccine

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The role of apparent diffusion coefficient in the grading of adult isocitrate dehydrogenase-mutant astrocytomas: relationship with the Ki-67 proliferation index

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ACTA RADIOLOGICA 2024年第5期65卷 489-498页

作者： She, Yingxia Liu, Xianwang Jiang, Jian wang, xuwen Niu, Qian Zhou, Junlin Lanzhou Univ Second Hosp Radiol Dept Lanzhou Peoples R China Lanzhou Univ Second Hosp Key Lab Med Imaging Gansu Prov Lanzhou Peoples R China Lanzhou Univ Second Hosp Gansu Int Sci & Technol Cooperat Base Med Imaging Lanzhou Peoples R China Lanzhou Univ Second Hosp Pathol Dept Lanzhou Peoples R China Lanzhou Univ Second Hosp Dept Radiol Cuiyingmen 82 Lanzhou 730030 Peoples R China

Background: The grading of adult isocitrate dehydrogenase (IDH)-mutant astrocytomas is a crucial prognostic factor. Purpose: To investigate the value of conventional magnetic resonance imaging (MRI) features and apparent diffusion coefficient (ADC) in the grading of adult IDH-mutant astrocytomas, and to analyze the correlation between ADC and the Ki-67 proliferation index. Material and Methods: The clinical and MRI data of 82 patients with adult IDH-mutant astrocytoma who underwent surgical resection and molecular genetic testing with IDH and 1p/19q were retrospectively analyzed. The conventional MRI features, ADC(min), ADC(mean), and nADC of the tumors were compared using the Kruskal-Wallis single factor ANOVA and chi-square tests. Receiver operating characteristic (ROC) curves were drawn to evaluate conventional MRI and ADC accuracy in differentiating tumor grades. Pearson correlation analysis was performed to determine the correlation between ADC and the Ki-67 proliferation index. Results: The difference in enhancement, ADC(min), ADC(mean), and nADC among WHO grade 2, 3, and 4 tumors was statistically significant (all P <0.05). ADC(min) showed the preferable diagnostic accuracy for grading WHO grade 2 and 3 tumors (AUC=0.724, sensitivity=63.4%, specificity=80%, positive predictive value (PPV)=62.0%;negative predictive value (NPV)=82.5%), and distinguishing grade 3 from grade 4 tumors (AUC=0.764, sensitivity=70%, specificity=76.2%, PPV=75.0%, NPV=71.4%). Enhancement + ADC model showed an optimal predictive accuracy (grade 2 vs. 3: AUC = 0.759;grade 3 vs. 4: AUC = 0.799). The Ki-67 proliferation index was negatively correlated with ADC(min), ADC(mean), and nADC (all P <0.05), and positively correlated with tumor grade. Conclusion: Conventional MRI features and ADC are valuable to predict pathological grading of adult IDH-mutant astrocytomas.

关键词： Apparent diffusion coefficient astrocytomas isocitrate dehydrogenase-mutant Ki-67 proliferation index

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Physical information-enhanced graph neural network for predicting phase separation

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Chinese Physics B 2024年第7期33卷 278-283页

作者：张亚强王煦文王雅楠郑文 Institute of Public-Safety and Big Data College of Computer Science and Technology(College of Data Science)Taiyuan University of TechnologyJinzhong 030600China Shanxi Engineering Research Centre for Intelligent Data Assisted Treatment Changzhi Medical CollegeChangzhi 046000China Innovation Academy for Microsatellites of Chinese Academy of Sciences Shanghai 200050China

Although phase separation is a ubiquitous phenomenon, the interactions between multiple components make it difficult to accurately model and predict. In recent years, machine learning has been widely used in physics simulations. Here,we present a physical information-enhanced graph neural network(PIENet) to simulate and predict the evolution of phase separation. The accuracy of our model in predicting particle positions is improved by 40.3% and 51.77% compared with CNN and SVM respectively. Moreover, we design an order parameter based on local density to measure the evolution of phase separation and analyze the systematic changes with different repulsion coefficients and different Schmidt *** results demonstrate that our model can achieve long-term accurate predictions of order parameters without requiring complex handcrafted features. These results prove that graph neural networks can become new tools and methods for predicting the structure and properties of complex physical systems.

关键词： graph neural network phase separation machine learning dissipative particle dynamics

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HPV vaccination strategy for 14-year-old females and economic returns for cervical cancer prevention in Wuxi City, China: a cost effectiveness analysis

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COST EFFECTIVENESS AND RESOURCE ALLOCATION 2024年第1期22卷 1页

作者： Jiang, Jingfeng Zhao, Fanqi Hong, Xiang wang, xuwen Nanjing Med Univ Wuxi Ctr Dis Control & Prevent Affiliated Wuxi Ctr Dis Control & Prevent Wuxi 214023 Peoples R China Southeast Univ Minist Educ Sch Publ Hlth Dept Epidemiol & Hlth StatKey Lab Environm Med & Nanjing Peoples R China

Background Since December 2021, Wuxi, China has offered a two-dose human papillomavirus (HPV) vaccination to 14-year-old females for free. This study evaluated the costs and benefits of this vaccination scheduled in the Expanded Program on Immunization in Wuxi from the perspective of the cities' demographic characteristics, economic development, and policy support. Methods The model-based economic evaluation used TreeAge Pro software to construct a decision tree-Markov model for the vaccination strategy in which 100,000 14-year-old females received two doses of bivalent HPV vaccine or no vaccination. Costs and effects of the strategy were assessed from a societal perspective through literature research and data obtained from the Wuxi Centre for Disease Control and Prevention. Univariate, multivariate, and probabilistic sensitivity analyses assessed the stability of the findings. Results The cost of the bivalent HPV vaccine in Wuxi is 711.3 CNY. The two-dose of bivalent HPV vaccine for 100,000 14-year-old females would cost an additional 658,016 CNY compared to no vaccination, but would result in 1,960 Quality Adjustment Years of Life (QALYs). Using the per capita gross domestic product of 187,415 CNY in 2021 in Wuxi as the willingness-to-pay threshold, the vaccination strategy costs 3,357.37 CNY per QALY gained, which is much lower than the threshold, suggesting that it is a very cost-effective strategy. In addition, the vaccine strategy reduced the incidence of cervical cancer by 300 cases and cervical cancer deaths by 181 cases, representing a benefit-cost ratio of 2.86 (> 1) when health output outcomes were measured in monetary terms. These results suggested that the vaccination strategy was advantageous. Sensitivity analyses showed that changes in the parameters did not affect the conclusions and that the findings were robust. Conclusions Compared to no vaccination, the delivery of two doses of bivalent HPV vaccine for 14-year-old females was a more highly cost-

关键词： Cost-effectiveness HPV Cervical cancer Vaccination

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Varicella vaccine effectiveness evaluation in Wuxi, China: A retrospective cohort study

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EPIDEMIOLOGY & INFECTION 2024年 152卷 e105-e105页

作者： Xiu, Shixin Xu, Zhuping wang, xuwen Zhang, Li wang, Qiang Yang, Min Shen, Yuan Nanjing Med Univ Affiliated Wuxi Ctr Dis Control & Prevent Wuxi Ctr Dis Control & Prevent Dept Immunizat Wuxi Peoples R China Nanjing Med Univ Affiliated Wuxi Ctr Dis Control & Prevent Wuxi Ctr Dis Control & Prevent Dept Chron Communicable Dis Wuxi Peoples R China Jiangyin Cty Ctr Dis Control & Prevent Publ Hlth Dept Wuxi Peoples R China Fudan Univ Sch Publ Hlth Dept Epidemiol Shanghai Peoples R China Nanjing Med Univ Affiliated Wuxi Ctr Dis Control & Prevent Wuxi Ctr Dis Control & Prevent Wuxi Peoples R China

Varicella is a vaccine-preventable infectious disease. Since 1 December 2018, the varicella vaccine has been included in the local Expanded Programme on Immunization (EPI) in Wuxi, China, and children born after 1 December 2014 are eligible for free vaccination. To evaluate the effect of varicella vaccination in Wuxi city, we selected 382 397 children born from 2012 to 2016 as subjects. Their disease data were obtained from the Chinese Disease Prevention and Control Information System, and their vaccination data were obtained from the Jiangsu Province Vaccination Integrated Service Management Information System. The incidence of breakthrough varicella cases increased in the first 4 years and reached the peak in the fifth year. With the increase of vaccination rate, the incidence of varicella decreased significantly. The vaccine effectiveness (VE) was found to be 88.17%-95.78% for one dose and 98.65%-99.93% for two doses. Although the VE per dose decreased from 99.57% in the first year to 93.04% in the eighth year, it remained high. These findings confirmed the effectiveness of varicella vaccination in children, supported the use of a two-dose varicella vaccination strategy to achieve better protection, and provided important insights into the optimal vaccination strategy for varicella prevention in children.

关键词： screening method vaccine effectiveness varicella vaccine number of varicella cases vaccination rates

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Occurrence, transfer rule, and dietary risk assessment of aflatoxins in medicinal and edible seeds

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FOOD BIOSCIENCE 2025年 63卷

作者： Lv, Jianxin Zhang, Huiru wang, xuwen Luo, Jiaoyang wang, Yudan Kong, Dandan wang, Chuang Guo, Mengyue Yang, Meihua Chinese Acad Med Sci Inst Med Plant Dev Key Lab Bioact Subst & Resources Utilizat Chinese Minist Educ Beijing 100193 Peoples R China Peking Union Med Coll Beijing 100193 Peoples R China Chinese Acad Med Sci Hainan Branch Inst Med Plant Dev Haikou 570311 Peoples R China

The last three decades have seen a rise in the use of herbal remedies and supplements, with more than 80% of the world's population relying on them for primary care. However, aflatoxin contamination in herbal remedies may constitute a risk to human health. In this study, a simple and robust method for the simultaneous detection of aflatoxins in four types of medicinal and edible seeds was developed by using UFLC-MS/MS combined with QuECHERS pretreatment. Meanwhile, the transfer rule of the aflatoxins in medicinal and edible seeds during the decoction process was explored, followed by dietary risk assessment based on Monte Carlo simulation. Results showed that aflatoxin contamination was found in 80.6% of the samples (62/77), with the contamination levels of 0.04-258.72 mu g/kg. Notably, high levels of aflatoxins were found in Ziziphi Spinosae Semen and Platycladi Semen, while low aflatoxin transfer rates (1.13%-11.86%) were observed during the decoction process. The estimated daily intake (EDI) of AFB1 could reach 15.314 and 0.333 ng/kg bw/day by ingesting aflatoxinsusceptible Ziziphi Spinosae Semen and Platycladi Semen, respectively. The population cancer risks ranged from 3.34 x 10- 8 to 2.86 x 10-4 hepatocellular carcinoma cases per 105 persons per year. The probabilistic risk assessment indicated a short-term and long-term health concern of intaking these two medicinal and edible seeds contaminated by aflatoxins. This study revealed the occurrence and transfer pattern of aflatoxins in the medicinal and edible seeds and evaluated the risks of their dietary exposure, providing a basis for their safe use.

关键词： Medicine food homology Aflatoxin Detection Transfer rule Risk assessment

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Investigating parental perceptions of respiratory syncytial virus (RSV) and attitudes to RSV vaccine in Jiangsu, China: Insights from a cross-section study

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VACCINE 2025年 44卷 126570-126570页

作者： wang, Qiang Yang, Liuqing Li, Lan Xiu, Shixin Yang, Min wang, xuwen Shen, Yuan wang, Weibing Lin, Leesa Fudan Univ Sch Publ Hlth Dept Epidemiol Shanghai 200032 Peoples R China Southeast Univ Sch Publ Hlth Dept Epidemiol & Hlth Stat Nanjing 210009 Peoples R China UCL Inst Risk & Disaster Reduct Ctr Digital Publ Hlth Emergencies London WC1E 6BT England Nanjing Med Univ Affiliated Wuxi Ctr Dis Control & Prevent Wuxi Ctr Dis Control & Prevent Dept Immunizat Wuxi 214023 Peoples R China London Sch Hyg & Trop Med Dept Infect Dis Epidemiol London WC1E 7TH England Lab Data Discovery Hlth D24H Hong Kong Sci Pk Hong Kong Peoples R China Univ Hong Kong LKS Fac Med WHO Collaborating Ctr Infect Dis Epidemiol & Contr Sch Publ Hlth Hong Kong Peoples R China

Introduction: Our study aimed to assess parents' perceptions of respiratory syncytial virus (RSV) and their attitudes towards the RSV vaccine in China. Method: The cross-section study was performed between August 21 and November 15, 2023, in Jiangsu province, eastern China. We collected socio-demographics, awareness, knowledge, perceptions of susceptibility and severity of RSV, and attitudes towards RSV vaccine using online survey questionnaire from parents of child aged <14 years old. The chi-square test and logistic regression model to explore the associated factors. Results: A total of 2135 participants were included. About 26.0 % indicated that they had never heard of RSV (556/2135) and were unaware that infants and young children are at a high risk of contracting RSV (557/2135). The proportion of parents with a child under 1 year of age who were unaware of RSV was notably higher than that of parents with children in other age groups. 42.9 % of parents (916/2135) showed low level of perceived susceptibility of contacting RSV infection for their child. 70.6 % of parents (1508/2135) expressed their willingness to vaccinate their child against RSV. The most common reason for refusing the RSV vaccine was "Concern about vaccine's safety or side effects." 60.8 % of participants (1299/2135) considered a price of the RSV vaccine below 200 CNY (28 USD) as acceptable. Conclusion: The parents, particularly those with younger children, exhibited limited awareness and knowledge regarding RSV infection. Our study also showed the potential role of vaccine price as a barrier to the future use of RSV vaccine in China.

关键词： Respiratory syncytial virus Parents Perceptions Vaccine China

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Study on the temperature uniformity of workpieces inside an annealing furnace

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INTERNATIONAL JOURNAL OF THERMAL SCIENCES 2025年 212卷

作者： wang, xuwen Long, Zhanyong Zhou, Kai Xiao, Han Che, Xingbang Liao, Junming Li, Chunbo Shenzhen Technol Univ Coll Urban Transportat & Logist Shenzhen 518000 Guangdong Peoples R China Laplace Renewable Energy Technol Co Ltd Guangzhou 510000 Guangdong Peoples R China Shenzhen Technol Univ Key Lab Adv Opt Precis Mfg Technol Guangdong Higher Educ Inst Shenzhen 518118 Guangdong Peoples R China

A numerical analysis model of the transient temperature field was established to address the issue of temperature field measurement in a silicon carbide annealing furnace. Numerical simulations of the vacuum annealing process yielded temperature distributions at 550 degrees C, 1200 degrees C, and 1700 degrees C. Real-time temperature measurements using internal thermocouples were conducted at two points within the furnace, showing actual temperature variations. The comparison between simulated and measured data revealed that the maximum error during the holding stage was within 3 %. Based on this, an analysis of the temperature distribution inside the silicon carbide vacuum annealing furnace was performed. The results indicate that increasing the holding temperature during the annealing process effectively reduces the time needed for the workpieces to stabilize at a uniform temperature and improves temperature uniformity by the end of the process. Additionally, by the end of the annealing process, the highest temperatures of the workpieces are concentrated primarily in the middle pieces. The temperature difference among workpieces near the center is minimal, remaining within 2 degrees C. By the end of the holding phase, 43.64 % of the workpieces in the furnace meet the process requirements. This study offers valuable insights for the structural design and temperature control of silicon carbide vacuum annealing furnaces.

关键词： Annealing furnace Numerical simulation Temperature uniformity Silicon carbide (4H-SiC)

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