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功能化氮化硼纳米片的制备及在导热聚氨酯复合材料中的应用 被引量:3
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作者 王兵 吉海峰 +4 位作者 刘迎春 冯怡 张效洁 张庆新 瞿雄伟 《高分子材料科学与工程》 EI CAS CSCD 北大核心 2022年第9期66-71,共6页
采用机械砂磨剥离与非共价键表面修饰相结合的方法,制备了左旋赖氨酸(Lys)功能化接枝氮化硼纳米片(Lys@BNNS),将其作为填料通过液相混合和热压方式得到热塑性聚氨酯(TPU)复合材料。采用红外光谱、热失重分析仪、X射线衍射仪、X射线光电... 采用机械砂磨剥离与非共价键表面修饰相结合的方法,制备了左旋赖氨酸(Lys)功能化接枝氮化硼纳米片(Lys@BNNS),将其作为填料通过液相混合和热压方式得到热塑性聚氨酯(TPU)复合材料。采用红外光谱、热失重分析仪、X射线衍射仪、X射线光电子能谱仪、扫描电子显微镜及透射电子显微镜表征了Lys@BNNS的结构与形貌特征;采用导热仪和红外热成像仪探讨了不同填料含量对复合材料导热性能和散热速率的影响。当填料质量分数达到5%时,Lys@BNNS/TPU复合材料的热导率比纯TPU增加了160%,散热速率提高了100 s。这对于提高高度集成化电子产品的可靠性和使用寿命具有重要的意义。 展开更多
关键词 氮化硼纳米片 砂磨剥离 左旋赖氨酸 导热复合材料
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Forest height mapping using inventory and multi-source satellite data over Hunan Province in southern China 被引量:5
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作者 Wenli Huang Wankun Min +4 位作者 Jiaqi Ding yingchun liu Yang Hu Wenjian Ni Huanfeng Shen 《Forest Ecosystems》 SCIE CSCD 2022年第1期57-70,共14页
Background:Accurate mapping of forest canopy heights at a fine spatial resolution over large geographical areas is challenging.It is essential for the estimation of forest aboveground biomass and the evaluation of for... Background:Accurate mapping of forest canopy heights at a fine spatial resolution over large geographical areas is challenging.It is essential for the estimation of forest aboveground biomass and the evaluation of forest ecosystems.Yet current regional to national scale forest height maps were mainly produced at coarse-scale.Such maps lack spatial details for decision-making at local scales.Recent advances in remote sensing provide great opportunities to fill this gap.Method:In this study,we evaluated the utility of multi-source satellite data for mapping forest heights over Hunan Province in China.A total of 523 plot data collected from 2017 to 2018 were utilized for calibration and validation of forest height models.Specifically,the relationships between three types of in-situ measured tree heights(maximum-,averaged-,and basal area-weighted-tree heights)and plot-level remote sensing metrics(multispectral,radar,and topo variables from Landsat,Sentinel-1/PALSAR-2,and SRTM)were analyzed.Three types of models(multilinear regression,random forest,and support vector regression)were evaluated.Feature variables were selected by two types of variable selection approaches(stepwise regression and random forest).Model parameters and model performances for different models were tuned and evaluated via a 10-fold cross-validation approach.Then,tuned models were applied to generate wall-to-wall forest height maps for Hunan Province.Results:The best estimation of plot-level tree heights(R2 ranged from 0.47 to 0.52,RMSE ranged from 3.8 to 5.3 m,and rRMSE ranged from 28%to 31%)was achieved using the random forest model.A comparison with existing forest height maps showed similar estimates of mean height,however,the ranges varied under different definitions of forest and types of tree height.Conclusions:Primary results indicate that there are small biases in estimated heights at the province scale.This study provides a framework toward establishing regional to national scale maps of vertical forest structure. 展开更多
关键词 Forest canopy height Hunan province Landsat ARD PALSAR-2 Sentinel-1
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MoNi_(4)-NiO heterojunction encapsulated in lignin-derived carbon for efficient hydrogen evolution reaction 被引量:2
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作者 Yanlin Qin Yunzhen Chen +4 位作者 Xuezhi Zeng yingchun liu Xuliang Lin Wenli Zhang Xueqing Qiu 《Green Energy & Environment》 SCIE EI CAS CSCD 2023年第6期1728-1736,共9页
Molybdenum nickel alloy has been proved to be an efficient noble-metal-free catalyst for hydrogen evolution reaction(HER) in alkaline medium, but its electrocatalytic activity and stability need to be further improved... Molybdenum nickel alloy has been proved to be an efficient noble-metal-free catalyst for hydrogen evolution reaction(HER) in alkaline medium, but its electrocatalytic activity and stability need to be further improved to meet industrial requirements. In this study, carboxymethylated enzymatic hydrolysis lignin(EHL) was used as a biomacromolecule frame to coordinate with transition metal ions and reduced by pyrolysis to obtain the MoNi_(4)-NiO heterojunction(MoNi_(4)-NiO/C). The oblate sphere structure of MoNi_(4)-NiO/C exposed a large catalytic active surface to the electrolyte. As a result, the hydrogen evolution reaction of MoNi_(4)-NiO/C displayed a low overpotentials of 41 mV to achieve 10 mA cm-2and excellent stability of 100 h at 100 mA cm^(-2)in 1 mol L^(-1)KOH, which was superior to that of commercial Pt/C. Lignin assisted the formation of NiO to construct the MoNi_(4)-NiO interface and MoNi_(4)-NiO heterojunction structure, which reduced the energy barrier by forming a more favorable transition states and then promoted the formation of adsorbed hydrogen at the heterojunction interface through water dissociation in alkaline media, leading to the rapid reaction kinetics. This work provided an effective strategy for improving the electrocatalytic performance of noble-metal-free electrocatalysts encapsulated by lignin-derived carbon. 展开更多
关键词 Lignin-derived carbon Hydrogen evolution reaction MoNi_(4)–NiO interface ELECTROCATALYSIS
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Adjusting the local solvation structures and hydrogen bonding networks for stable aqueous batteries with reduced cost 被引量:1
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作者 Canfu Zhang Binbin Chen +3 位作者 Haoran Cai Renzhi Huang yingchun liu Huilin Pan 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第5期411-419,共9页
Exploring low-cost and effective approaches to extend the potentials of aqueous electrolytes is highly desired.Herein,it is found that the activity of H_(2)O in aqueous electrolytes could be intensively manipulated by... Exploring low-cost and effective approaches to extend the potentials of aqueous electrolytes is highly desired.Herein,it is found that the activity of H_(2)O in aqueous electrolytes could be intensively manipulated by introducing small urea and long-chain polyethylene glycol(PEG)molecules into Li TFSI-H_(2)O electrolyte systems without super salt concentration.The urea and PEG molecules could exclude partial coordinated H_(2)O out of the inner solvation shell of Li_(4) and reconstruct hydrogen-bonding network between H_(2)O and PEG molecules outside the solvation sheaths with restricted H_(2)O activity and extended electrochemical window.The bonding competitions in aqueous electrolytes and their correlation to the electrochemical performance of full cells are studied.When the occurrence probability of H_(2)O around Li_(4)is lower than 40%,stable cycling of 3.1 V LiMn_(2)O_(4)-Li_(4)Ti_(5)O_(12) full cell is achieved,showing 73%capacity retention after 200 cycles at 1 C rate in optimal electrolytes.This work provides new avenues to understand the role of H_(2)O and explore low-cost and effective approaches for the development of nextgeneration aqueous lithium-ion batteries. 展开更多
关键词 Solvation sheath H_(2)O activity Aqueous electrolytes Lithium-ion batteries
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Effectiveness of an Indoor Air Pollution (IAP) Intervention on Reducing IAP and Improving Women’s Health Status in Rural Areas of Gansu Province, China
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作者 Yibin Cheng Jiaqi Kang +15 位作者 Fan liu Bryan A. Bassig Brian Leaderer Gongli He Theodore R. Holford Ning Tang Jian Wang Jian He Yanchang liu yingchun liu Jiang liu Xun Chen Heng Gu Xiao Ma Tongzhang Zheng Yinlong Jin 《Open Journal of Air Pollution》 2015年第1期26-37,共12页
Given the deleterious health effects associated with indoor air pollution (IAP), this study was conducted to evaluate an IAP intervention in rural areas in Gansu, one of the poorest provinces of China. We selected 371... Given the deleterious health effects associated with indoor air pollution (IAP), this study was conducted to evaluate an IAP intervention in rural areas in Gansu, one of the poorest provinces of China. We selected 371 rural households to take part in intervention measures including stove improvement and health education. Eight of 371 households were selected to conduct IAP sampling. Four hundred and thirteen women in these households completed a questionnaire and 49 women took part in lung function tests. After the intervention, PM4 levels reduced from 455 μg/m3 to 200 μg/m3 and CO reduced from 3.40 ppm to 2.90 ppm in indoor air. The percentage of predicted value of FEV1 and FVC improved to some degree after the intervention, but all the parameters of lung function assessment did not show a significant change. Prevalence rates of several symptoms associated with IAP significantly declined in the study population, compared with baseline levels. Intervention measures combining stove improvement with health education were effective in reducing IAP levels. Women’s health status, including eye and respiratory symptoms, also showed improvement. However, the effect on lung function was not apparent and warranted additional follow-up. Similarly, evaluation of the long term effects of the IAP intervention will require future studies. 展开更多
关键词 INDOOR Air POLLUTION Biomass LUNG Function RESPIRATORY System
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Assessment of Ankylosing Spondylitis Based on the Theory of Yin and Yang in Traditional Chinese Medicine
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作者 Yuan Cheng Jichao Yin +3 位作者 Xinglv Hu Penggang Xu yingchun liu Chengxiang Lei 《Journal of Clinical and Nursing Research》 2021年第5期33-36,共4页
The theory of yin and yang in Chinese medicine signifies everything and can be used to divide everything in the world.The diagnosis and assessment of ankylosing spondylitis in Western medicine can also be divided by y... The theory of yin and yang in Chinese medicine signifies everything and can be used to divide everything in the world.The diagnosis and assessment of ankylosing spondylitis in Western medicine can also be divided by yin and yang.The current technologies used in Western medicine for detecting ankylosing spondylitis is summarized,divided,and reasoned with the philosophical views of yin and yang in traditional Chinese medicine. 展开更多
关键词 Traditional Chinese medicine Ankylosing spondylitis Yin and yang theory
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Genome-wide CRISPR screens identify CLC-2 as a drug target for anti-herpesvirus therapy:tackling herpesvirus drug resistance
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作者 Fayu Yang Nan Wei +14 位作者 Shuo Cai Jing liu Qingping Lan Hao Zhang Lu Shang Bo Zheng Mi Wang yingchun liu Lifang Zhang Chenzhong Fei Wu Tong Changlong liu Ersheng Kuang Guangzhi Tong Feng Gu 《Science China(Life Sciences)》 2025年第2期515-526,共12页
The emergence of drug resistance to virus(i.e.,acyclovir(ACV)to herpesviruses)has been termed one of the common clinical issues,emphasizing the discovery of new antiviral agents.To address it,a genome-wide clustered r... The emergence of drug resistance to virus(i.e.,acyclovir(ACV)to herpesviruses)has been termed one of the common clinical issues,emphasizing the discovery of new antiviral agents.To address it,a genome-wide clustered regularly interspaced short palindromic repeats(CRISPR)screening was performed in mouse haploid embryonic stem cells infected with pseudorabies virus(PRV),anα-herpesvirus causing human and pig diseases.The results demonstrated that type 2 voltage-gated chloride channels(CLC-2)encoded by one of the identified genes,CLCN2,is a potential drug target for anti-herpesvirus therapy.CLC-2 inhibitors,omeprazole(OME)and 4,4'-diisothiocyanostilbene-2,2'-disulfonic acid(DIDS),can efficiently inhibit infection of multiple herpesviruses in cellulo(i.e.,PRV,HSV and EBV),and effectively treat murine herpes simplex encephalitis(HSE).Additionally,DIDS was found to inhibit HSV-1 replication by blocking the PI3K/Akt pathway.Most importantly,both DIDS and OME were able to inhibit ACV-resistant HSV-1 strain infection.The study's findings suggest that targeting host-cell factors such as CLC-2 may be a promising approach to tackling herpesvirus drug resistance.The discovery of CLC-2 as a potential drug target for anti-herpesvirus therapy provides a new direction for the development of novel antiviral agents. 展开更多
关键词 HERPESVIRUSES CRISPR host-directed therapy CLC-2 DIDS
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Robust UKF orbit determination method with timevarying forgetting factor for angle/range-based integrated navigation system
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作者 Qichang QIANG Baojun LIN +2 位作者 yingchun liu Xia LIN Shen WANG 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2024年第11期420-434,共15页
The angle/range-based integrated navigation system is a favorable navigation solution for deep space explorers.However,the statistical characteristics of the measurement noise are time-varying,leading to inaccuracies ... The angle/range-based integrated navigation system is a favorable navigation solution for deep space explorers.However,the statistical characteristics of the measurement noise are time-varying,leading to inaccuracies in the derived measurement covariance even causing filter divergence.To reduce the gap between theoretical and actual covariances,some adaptive methods use empirically determined and unchanged forgetting factors to scale innovations within the sliding window.However,the constant weighting sequence cannot accurately adapt to the time-varying measurement noise in dynamic processes.Therefore,this paper proposes an Adaptive Robust Unscented Kalman Filter with Time-varying forgetting factors(TFF-ARUKF)for the angle/range integrated navigation system.Firstly,based on a statistically linear regression model approximating the nonlinear measurement model,the M-estimator is adopted to suppress the interference of outliers.Secondly,the covariance matching method is combined with the Huber linear regression problem to adaptively adjust the measurement noise covariance used in the M-estimation.Thirdly,to capture the time-varying characteristics of the measurement noise in each estimation,a new timevarying forgetting factors selection strategy is designed to dynamically adjust the adaptive matrix used in the covariance matching method.Simulations and experimental analysis compared with EKF,AMUKF,ARUKF,and Student's t-based methods have validated the effectiveness and robustness of the proposed algorithm. 展开更多
关键词 Autonomous navigation Integrated navigation system State estimation Kalman filter Adaptive filter
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Excitation-wavelength-dependent persistent luminescence from single-component nonstoichiometric CaGa_(x)O_(4):Bi for dynamic anticounterfeiting
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作者 Bo-Mei liu Yue Lin +4 位作者 yingchun liu Bibo Lou Chong-Geng Ma Hui Zhang Jing Wang 《Light(Science & Applications)》 CSCD 2024年第12期3064-3075,共12页
Materials capable of dynamic persistent luminescence(PersL)within the visible spectrum are highly sought after for applications in display,biosensing,and information security.However,PersL materials with eye-detectabl... Materials capable of dynamic persistent luminescence(PersL)within the visible spectrum are highly sought after for applications in display,biosensing,and information security.However,PersL materials with eye-detectable and excitation-wavelength-dependent characteristics are rarely achieved.Herein,a nonstoichiometric compound CaGa_(x)O_(4):Bi(x<2)is present,which demonstrates ultra-long,color-tunable PersL.The persistent emission wavelength can be tuned by varying the excitation wavelength,enabling dynamic color modulation from the green to the orange region within the visible spectrum.Theoretical calculations,in conjunction with experimental observations,are utilized to elucidate the thermodynamic charge transitions of various defect states,thereby providing insights into the relationship between Bi^(3+)emitters,traps,and multicolored PersL.Furthermore,the utility of color-tunable PersL materials and flexible devices is showcased for use in visual sensing of invisible ultraviolet light,multicolor display,information encryption,and anti-counterfeiting.These discoveries create new opportunities to develop smart photoelectric materials with dynamically controlled PersL for various applications. 展开更多
关键词 luminescence VISIBLE DYNAMIC
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SARS-CoV-2与受体ACE2独特的相互作用与结合/解离过程
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作者 刘深鑫 张博 +1 位作者 刘迎春 王琦 《中国科学:化学》 CAS CSCD 北大核心 2022年第5期721-730,共10页
2019年12月由新型肺炎冠状病毒(SARS-Co V-2)感染导致的肺炎(COVID-19)疫情大规模爆发,并于2020年3月被世界卫生组织宣布为全球大流行.其显著的传染性和致死率对全人类的生命安全构成了巨大的威胁,迫切需要从分子层面上了解并掌握病毒... 2019年12月由新型肺炎冠状病毒(SARS-Co V-2)感染导致的肺炎(COVID-19)疫情大规模爆发,并于2020年3月被世界卫生组织宣布为全球大流行.其显著的传染性和致死率对全人类的生命安全构成了巨大的威胁,迫切需要从分子层面上了解并掌握病毒的感染/传播行为.新冠病毒和2003年爆发的严重急性呼吸系统综合征冠状病毒(SARS-Co V)同属于蝙蝠SARS样冠状病毒(SARSr-Co V)物种,其表面刺突糖蛋白具有高度的同源性,它们侵入人体细胞的关键步骤同为表面刺突蛋白的受体结合域(RBD)部分和人血管紧张素转化酶2(ACE2)的结合,许多实验工作报道了SARS-Co V-2拥有比SARS-Co V更强的结合能力.为了进一步诠释实验结果,本工作对这两种病毒的野生型RBD(RBDWT)和ACE2的结合进行了分子动力学模拟、拉伸分子动力学模拟和伞状取样,结果表明,β-loop区的不同行为导致关键结合残基和相互作用的不同,并进一步导致结合/解离机制的不同,SARS-Co V-2-RBD和ACE2的结合亲和力是SARS-Co V-RBD的约30倍. 展开更多
关键词 SARS-CoV-2 SARS-COV 拉伸分子动力学 伞状取样 关键结合残基 结合自由能
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凝血因子Xa轻链在CaA沸石表面吸附机制的分子动力学模拟研究
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作者 何美娟 刘迎春 +1 位作者 李嘉辰 王琦 《中国科学:化学》 CAS CSCD 北大核心 2023年第9期1770-1780,共11页
凝血因子Xa(FXa)和凝血因子Va(FVa)在血小板细胞膜表面可以结合形成凝血酶原酶复合物(FVa–FXa),并可以快速将凝血酶原转化为凝血酶,从而有助于成功止血.研究表明,钙基沸石可以扮演类似无机血小板细胞膜的角色,使得FXa和FVa在其表面自... 凝血因子Xa(FXa)和凝血因子Va(FVa)在血小板细胞膜表面可以结合形成凝血酶原酶复合物(FVa–FXa),并可以快速将凝血酶原转化为凝血酶,从而有助于成功止血.研究表明,钙基沸石可以扮演类似无机血小板细胞膜的角色,使得FXa和FVa在其表面自组装并高效催化凝血酶原转化为凝血酶.然而无机沸石表面FXa与FVa在Ca2+作用下的自组装机制并不清楚.鉴于在Ca2+作用下,FXa轻链中羧基谷氨酸(Gla)结构域在细胞膜表面凝血酶原酶复合物自组装中扮演的重要角色,研究FXa轻链在Ca2+作用下在沸石表面的吸附机制具有重要意义.本工作利用分子动力学(MD)模拟研究了Ca2+作用下,FXa轻链分别与磷脂双分子层(PS)细胞膜以及Ca2+交换的LTA型(CaA)沸石表面的相互作用.结果表明,FXa在PS膜表面的吸附主要是Ca2+参与的配位作用,而在CaA沸石表面的吸附主要是带正电的赖氨酸、精氨酸与带负电的沸石骨架之间的静电相互作用,Gla域结合的Ca2+起到稳定结构以及介导蛋白结合到磷脂膜表面的功能. 展开更多
关键词 凝血因子XA 钙基沸石 磷脂膜 静电相互作用 钙离子配位
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Ultrahigh strain in textured BCZT-based lead-free ceramics with CuO sintering agent 被引量:2
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作者 yingchun liu Hongjun Zhang +5 位作者 Wenming Shi Qian Wang Guicheng jiang Bin Yang Wenwu Cao Jiubin Tan 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2022年第22期207-214,共8页
Textured BaTiO_(3)(BT)-based lead-free ceramics have gained significant attention due to their high piezoelectric coefficient(d)and very large field induced strain(S).However,costly nano-size raw materials,excessively... Textured BaTiO_(3)(BT)-based lead-free ceramics have gained significant attention due to their high piezoelectric coefficient(d)and very large field induced strain(S).However,costly nano-size raw materials,excessively high sintering temperature and low Curie temperature(T_(c))hinder their device applications.In this work,highly[001]_(c)-oriented(Ba_(0.95)Ca_(0.05))(Zr_(0.04)Ti_(0.96))O_(3) ceramics with x mol%CuO(x=0.25,0.5,1.0,2.5)denoted as BCZT-x were synthesized by templated grain growth using micro-sized raw powders.The introduction of CuO sintering agent lowered the sintering temperature by 125℃ to 1450℃,and the BCZT-1.0 achieved a high texture degree of∼99%.In addition,the CuO-based liquid phases eliminated boundaries between BT templates and BCZT matrix powders.Such liquid-phase sintering reduced sintering stresses,decreased the average grain size of BCZT-1.0 from 16μm down to 13μm,and increased the dielectric dispersion coefficientγto 1.63.The almost smoothed out T_(O-T) anomaly in the temperature dependence of dielectric permittivity and comparably high T_(c)(>102℃)lead to better temperature stability.The narrower grain orientation distribution with full width at half maximum(FWHM)of∼5.9°and smaller domains with the size of 0.1–0.5μm in width and 3–8μm in length were obtained,a high field induced maximum strain S_(max) of 0.38%and low H_(s) of 5.2%have been achieved in BCZT-1.0 textured ceramics together with a high and homogeneous piezoelectric stress coefficient d_(33)∼780 pC/N and very large d_(33)∗∼2950 pm/V. 展开更多
关键词 LEAD-FREE BCZT Textured ceramics PIEZOELECTRIC Strain hysteresis
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Association of low cadmium and mercury exposure with chronic kidney disease among Chinese adults aged≥80 years:A cross-sectional study 被引量:1
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作者 Yuan Wei Yuebin Lyu +11 位作者 Zhaojin Cao Feng Zhao yingchun liu Chen Chen Chengcheng Li Heng Gu Feng Lu Jinhui Zhou Bing Wu Yang liu Juan Li Xiaoming Shi 《Chinese Medical Journal》 SCIE CAS CSCD 2022年第24期2976-2983,共8页
Background:The heavy metals cadmium(Cd)and mercury(Hg)are known to be widespread environmental contaminants and high occupational exposure adversely affects the risk of chronic kidney disease(CKD).However,evidence fro... Background:The heavy metals cadmium(Cd)and mercury(Hg)are known to be widespread environmental contaminants and high occupational exposure adversely affects the risk of chronic kidney disease(CKD).However,evidence from epidemiological studies linking low Cd and Hg exposure(or non-industrial)to the risk of progression to CKD are conflicting.This study aimed to explore the association of low Cd and Hg exposure with the risk of CKD in Chinese adults aged≥80 years.Methods:The participants were recruited for the Healthy Aging and Biomarkers Cohort Study in 2017,an ongoing perspective survey conducted in longevity areas in China initially involving 3016 older adults.We used logistic regression models to estimate odds ratios(ORs)with 95%confidence intervals of CKD setting Cd and Hg as categorical variables.Logistic regression with restricted cubic spline was used to characterize a dose-response relationships between Cd or Hg concentrations and the risk of CKD in the study population.Results:The ORs for the risk of CKD comparing the fourth to the first quartile of blood Cd,blood Hg,urine Cd,and urine Hg were 1.77,1.57,2.03,and 1.50,respectively.Restricted cubic spline models showed that blood Cd and urine Hg were significantly linearly correlated with the risk of CKD,while blood Hg and urine Cd were non-linearly correlated with the risk of CKD with a steeper slope at concentrations<2.30μg/L and 3.30μg/g creatinine.Conclusions:Our findings suggest that even low Cd and Hg exposure(or non-industrial)were associated with increased risk of CKD in Chinese oldest old,although we did not find a significant multiplicative and additive interaction between Cd and Hg levels in relation to the risk of CKD. 展开更多
关键词 Aged 80 and over CADMIUM Chronic kidney disease MERCURY
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Modeling the molecular interactions of budesonide with bovine serum albumin guides the rational preparation of nanoparticles for pulmonary delivery 被引量:1
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作者 Shuai Meng Wei Cui +7 位作者 Shaohui Lin Guiling Wang Yu Hei Bo Deng Shuang Ma Zhan Zhang yingchun liu Ying Xie 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2018年第6期415-428,共14页
Large Hollow nanoparticulate aggregates(LHNAs) based on albumin nanoparticles is a promising technology for developing dry powder inhaler(DPI) with good aerodynamic properties in order to provide a new drug delive... Large Hollow nanoparticulate aggregates(LHNAs) based on albumin nanoparticles is a promising technology for developing dry powder inhaler(DPI) with good aerodynamic properties in order to provide a new drug delivery system(DDS) for the treatment of lung disease. Improved understanding of molecular interactions could lead to prepare the DDS rationally. Therefore, this investigation utilized computations and experiments to reveal the mechanisms of budesonide(BUD) interactions with bovine serum albumin(BSA) at the molecular level. The molecular dynamics(MD) simulation revealed that there were three critical stable binding sites of BUD on BSA(P1, P2, P3) mainly by hydrophobic interaction and hydrogen bond. The energy decomposition of each residue to the whole BUD-BSA complex system in P1-P3 showed that nonpolar residues in or around the binding site played an important role in the binding of BUD to BSA. The molar ratio was close to 3 in preparations in drug-loading efficiency experiment, which was confirmed to the simulation results. The details of the binding sites from computation provided a guideline for the design of the BSA nanoparticles carrying BUD, which was prepared successfully at last. Combination of the MD simulation and experiment as well as the mechanism of the molecular interaction provided a solid theoretical basis for the preparation of BSA-LHNAs for DPI in the future. 展开更多
关键词 Molecular dynamics Interaction mechanism BSA nanoparticles BUDESONIDE Rational preparation
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Water-induced hydrogenation of graphene/metal interfaces at room temperature:Insights on water intercalation and identification of sites for water splitting
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作者 Guangyu He Qi Wang +3 位作者 Hak Ki Yu Daniel Farias yingchun liu Antonio Politano 《Nano Research》 SCIE EI CAS CSCD 2019年第12期3101-3108,共8页
Though it is well recognized that the space between graphene cover and the metal substrate canact as a two-dimensional(2D)nanoreactor,several issues are still unresolved,including the role of the metal substrate,the m... Though it is well recognized that the space between graphene cover and the metal substrate canact as a two-dimensional(2D)nanoreactor,several issues are still unresolved,including the role of the metal substrate,the mechanisms ruling water intercalation and the identification ofsites at which water is decomposed.Here,we solve these issues by means of density functional theory and high-resolution electron energyloss spectroscopy experiments carried out on graphene grown on(111)-oriented Cu foils.Specifically,we observe decomposition of H2O atroom temperature with only H atoms forming bonds with graphene and with buried OH groups underneath the graphene cover.Ourtheoretical model discloses physicochemical mechanisms ruling the migration and decomposition of water on graphene/Cu.We discover thatthe edge of graphene can be easily saturated by H through decomposition of H2O,which allows H2O to migrate in the subsurface region from thedecoupled edge,where H2O decomposes at room temperature.Hydrogen atoms produced by the decomposition of H2O initially form a chemicalbond with graphene for the lower energy barrier compared with other routes.These findings are essential to exploit graphene/Cu interfaces incatalysis and in energy-related applications. 展开更多
关键词 graphene/metal interfaces INTERCALATION WATER SPLITTING room temperature
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High piezoelectricity performance in PSBZT ceramic for ultrasonic transducer
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作者 Shengpeng Han Guicheng Jiang +8 位作者 Yan Zhu yingchun liu Hongjun Zhang Lang Bian Danqing liu Ye Sun Limei Zheng Bin Yang Wenwu Cao 《Journal of Advanced Dielectrics》 2023年第5期26-33,共8页
Lead zirconate titanate(PZT)ceramics possess great potential for practical applications and thus improving their piezoelectric properties is crucial.Pb0.99−xSm0.01BaxZr0.53Ti0.47O3(PSBZT)ceramics with high Curie tempe... Lead zirconate titanate(PZT)ceramics possess great potential for practical applications and thus improving their piezoelectric properties is crucial.Pb0.99−xSm0.01BaxZr0.53Ti0.47O3(PSBZT)ceramics with high Curie temperature and excellent piezoelectric properties were fabricated via a conventional solid-state method,and the effect of Ba2+doping on the structural,dielectric,piezoelectric and ferroelectric properties was studied in detail.It is shown that doping of Ba2+significantly enhanced the piezoelectric properties of PSZT,the maximum d33~533 pC/N and Tc~361°C at x=0.02 were acquired.Furthermore,PSZT and PSBZT ceramics were used to prepare single element ultrasonic transducers,and their performance were compared and evaluated.The results demonstrate that the PSBZT ceramic-based transducer possesses better sensitivity and bandwidth than the PSZT ceramic-based transducer. 展开更多
关键词 PSBZT PIEZOELECTRICITY ultrasonic transducer
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