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A Perspective on the Dynamics Properties in Polymer Nanocomposites

Chinese Journal of Polymer Science 2023年第9期41卷 1355-1360,I0005页

作者： xu-ze Zhang Zhong-Yuan Lu Hu-Jun Qian State Key Laboratory of Supramolecular Structure and Materials Institute of Theoretical ChemistryCollege of ChemistryJilin UniversityChangchun130021China

Polymer nanocomposites(PNCs)usually have superior properties than pristine *** the dynamics properties in PNC system is crucial to reveal the mechanism of property change unpon the addition of nanoparticles(NPs),and therefore for a better design of the material *** this short perspective,we summarize recent advances mainly from theoretical and simulation studies of dynamics properties in polymer nanocomposite *** is the"vehicle model"which reveals that diffusion dynamics of sticky NP is coupled to surrounding chain ***,recent simulations demonstrate that such coupling also exists in all-polymer nanocomposite wich is composed of linear polymer chains and single-chain nanoparticles(SCNPs).These SCNPs have almost the same chemical composition as the matrix ***,it is assumed that such all-polymer nanocomposite can act as a model system where there are no enthalpic interactions between NPs and polymer *** the above dynamic coupling was found in the above two different systems containing inorganic NPs or relatively small organic SCNPs,it was found that the length scale of such dynamic coupling(the thickness of the matrix/NP interface)is comparable to the NP size,which is surprisingly consistent in the above two different *** addition,a chain-length dependence of the NP influence on the chain dynamics reported from a recent joint simulaiton and experimental study of all-polymer nanocomposite system,and a theoretical model developed for such phenomena are also *** the end,we give an outlook of this field,especially for possible chainlength dependence of complex dynamics in sticky-NP systems.

关键词： Polymer nanocomposite Dynamics properties Interfacial interaction

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Application of alkaloids in reversing multidrug resistance in human cancers

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Chinese Journal of Natural Medicines 2018年第8期16卷 561-571页

作者： WANG meng LIU ze-Fa TANG Hua CHEN Bao-An Department of Hematology and Oncology Zhongda HospitalSchool of MedicineSoutheast University Department of Hematology People's Hospital of Xinghua City

Multidrug resistance(MDR) in human cancer is one of greatest challenges in cancer *** products,especially the alkaloids,exert reversed effects on MDR with low toxicity,by interacting with various *** this review article,we summarize the recent progress made in the research of the main alkaloids,including classification,function,mechanism,research status,and application in reversing MDR.

关键词： Multidrug resistance Alkaloids Cancer

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Effect of trace boron on corrosion resistance of rust layer of high-strength low-alloy steel in 3.5 wt.% NaCl solution

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Journal of Iron and Steel Research International 2023年第10期30卷 2080-2090页

作者： Yan-hui Hou ze-kun xu Guang-qiang Li The State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and TechnologyWuhan 430081HubeiChina Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education Wuhan University of Science and TechnologyWuhan 430081HubeiChina

The influence mechanism of trace boron on the corrosion resistance of high-strength low-alloy(HSLA)steel in a simulated marine environment was studied by combining first-principles calculation with *** effect of boron on the corrosion properties and corrosion morphology of the rust layer formed on the surface of HSLA steel was studied by means of corrosion weightlessness method,polarization curve,scanning electron microscopy(SEM)and X-ray diffraction(XRD)*** mass loss measurements and polarization curves revealed that the corrosion resistance of HSLA steel is improved by adding trace *** and SEM results show that the rust layer is produced byα-FeOOH(the main protective phase),Fe_(3)O_(4) andγ-FeOOH,and boron contributes to stability ofα-*** on the first-principles calculation,the solid solution of B atom in the corrosion product is beneficial to the fixation of Cl atom and to the reduction of the corrosion of Cl atom to the steel matrix.

关键词： Boron High-strength low-alloy steel Corrosion resistance NaCl solution Rust layer First-principles calculation

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The atmospheric hinder for intraseasonal sea-air interaction over the Bay of Bengal during Indian summer monsoon in CMIP6

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Acta Oceanologica Sinica 2022年第10期41卷 119-130页

作者： ze meng Lei Zhou Baosheng Li Jianhuang Qin Juncheng Xie School of Oceanography Shanghai Jiao Tong UniversityShanghai200030China Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai) Zhuhai519080China State Key Laboratory of Satellite Ocean Environment Dynamics Second Institute of OceanographyMinistry of Natural ResourcesHangzhou310012China College of Oceanography Hohai UniversityNanjing266071China Marine Science and Technology College Zhejiang Ocean UniversityZhoushan316000China

The surroundings of the Bay of Bengal(Bo B)suffer a lot from the extreme rainfall events during Indian summer monsoon(ISM).Previous studies have proved that the sea-air interaction is an important factor for the monsoonal *** the 6th Coupled Modol Inter-comparison Project(CMIP6)models,this study examined the biases of surface heat flux,which is the main connection between atmosphere and *** show that although CMIP6 have a better simulation of intraseasonal sea surface temperature(SST)anomalies over Bo B than the previous ones,the“atmospheric blockage”still delays the response of latent heat flux to the oceanic ***,during the increment of positive latent heat flux in CMIP6,the negative contribution from wind effects covers most of the positive contribution from humidity effects,due to the underestimate of humidity *** diagnostic analysis denote that the surface air humidity has a quarter of a phase ahead of warm SST in observation,but gets wet along with the warm SST accordingly in most CMIP6 *** a result,the simulated transfer of intraseasonal moisture flux is hindered between ocean and ***,as a bridge between both sides,the atmospheric boundary layer is essential for a better sea-air coupled simulation,especially when the atmospheric and the oceanic variabilities involved in a climate model becomes increasingly *** surface air humidity and boundary layer processes require more attention as well as better simulations.

关键词： Bay of Bengal ocean-atmosphere interaction CMIP6 latent heat flux intraseasonal variability

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多光谱法研究二氢杨梅素对胰脂肪酶的抑制作用

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光谱学与光谱分析 2025年第1期45卷 107-116页

作者：孟晓慧黄旭波夏张晨徐娟王衍彬程俊文杨柳贺亮浙江省森林资源生物与化学利用重点实验室浙江省林业科学研究院浙江杭州310023 浙江省特色中药资源保护与创新利用重点实验室浙江农林大学食品与健康学院浙江杭州311300

藤茶中主要黄酮类物质——二氢杨梅素(DMY)具有多种生物活性,而其降血脂机理鲜有报道。采用紫外光谱研究了DMY对胰脂肪酶(PL)的抑制作用,结合荧光光谱、同步荧光光谱、三维荧光光谱及分子对接模拟法研究了二者之间的相互作用及机理。紫... 详细信息

藤茶中主要黄酮类物质——二氢杨梅素(DMY)具有多种生物活性,而其降血脂机理鲜有报道。采用紫外光谱研究了DMY对胰脂肪酶(PL)的抑制作用,结合荧光光谱、同步荧光光谱、三维荧光光谱及分子对接模拟法研究了二者之间的相互作用及机理。紫外光谱测得DMY对PL的半抑制浓度为2.6×10^(-4)mol·L^(-1),表明其对PL具有较好的抑制作用,采用Lineweaver-Burk方程得出该抑制剂为竞争性作用,其抑制常数为6×10^(-4)mol·L^(-1);通过Stern-Volmer方程和静态猝灭双对数公式对293和310 K两者互作的荧光光谱计算,结果表明DMY能猝灭PL的自发荧光,荧光猝灭方式为静态猝灭,猝灭常数K_(SV)与温度负相关;结合常数K a与温度正相关,结合位点数n约为1,说明DMY与PL结合并形成稳定的配位复合物;采用Van't Hoff方程求出结合过程中的热力学参数ΔS=0.2014 J·mol^(-1)·K^(-1),ΔH=32.311 kJ·mol^(-1),ΔG小于0,表明两者通过疏水作用力自发结合且放热;由F rster非辐射能量转移理论计算出结合距离r=1.475 nm,说明DMY与PL结合生成复合物时发生了非辐射能量转移;同步荧光光谱结果表明,DMY与PL的相互作用对PL的二级构象发生了明显改变,主要作用于色氨酸(Tyr)附近。紫外光谱进一步揭示DMY可使PL发生π→π跃迁,导致其氨基酸残基的微环境变化;三维荧光光谱显示DMY可使PL两个特征峰(peak1,peak2)分别红移10和5 nm,荧光强度分别下降51.38%和41.93%,证实两者发生疏水作用后PL的微环境极性增大,构象改变;分子对接模拟结果表明,DMY结合位点位于PL中由PHE77、PHE215、TYR114、ILE209、PRO180氨基酸形成的疏水口袋内,其A环C5、B环C4′、C环C3、C环C O的-OH分别与氨基酸HIS263、TYR114、SER152、PHE215形成氢键,与氨基酸LRU213、GLU179、ALA178、THR78产生范德华力。实验数据有助于深入解DMY的降血脂分子作用机制,其独特的结构为天然抑制剂的药物合成和筛选提供了理论依据。

关键词：二氢杨梅素胰脂肪酶多光谱法分子对接模拟

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Selective Laser Melting of In Situ TiB/Ti6Al4V Composites: Formability, Microstructure Evolution and Mechanical Performance

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Acta Metallurgica Sinica(English Letters) 2020年第6期33卷 774-788页

作者： Yue Su Shun-Cun Luo Liang meng Piao Gao ze-Min Wang Wuhan National Laboratory for Optoelectronics Huazhong University of Science and TechnologyWuhan 430074China

In the present study, a series of in situ TiB/Ti6Al4V composites were fabricated using selective laser melting. The formability, microstructure evolution and mechanical properties of the as-built samples added with different contents of TiB2 were studied. It is found that the densification level is related to both the content of TiB2 and laser energy density. The added TiB2 reinforcement particle can spontaneously react with titanium and then form the TiB phase. The needle-like TiB phase tends to transform into dot-like particles with the decrease in energy density. Additionally, with the increase in TiB2 content, the TiB phase is coarsened due to the increased nucleation rate and more reactions. The grain morphology is found to largely depend on the translational speed of solid–fluid interface determined by the temperature gradient and cooling rate. Also, the microhardness of the as-built TiB/Ti6Al4V composites is obviously improved. More interestingly, as the energy density increases, the microhardness of the as-built TiB/Ti6Al4V composites firstly increases and then decreases due to the synergy of grain size and different morphologies and distribution of TiB phases. The wear resistance of TiB/Ti6Al4V composites is far superior to that of Ti6Al4V alloy owing to the increased microhardness resulted from the uniform distribution of the hard TiB phase in the matrix.

关键词： Selective laser melting TiB/Ti6Al4V composites Energy density Densification behavior Microhardness Wear resistance

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Experimental and theoretical investigation of the failure behavior of a reinforced concrete target under high-energy penetration

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Acta Mechanica Sinica 2020年第1期36卷 116-129页

作者： Fanlin meng Tianbao Ma Xiangzhao xu State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing100081China

The dynamic mechanical properties of concrete and reinforced concrete targets subjected to high-speed projectile impact loading have a significant influence on the impact resistance of protective *** this study,high-speed projectile penetration and perforation of concrete and reinforced concrete structures was carried out to determine the high-energy impact *** failure behaviors of projectile penetration and perforation of the concrete and reinforced concrete targets were investigated,and the destruction characteristics of the targets were *** analytical model was established using the principle of minimum potential *** results show that the theoretical predictions are consistent with the experimental data,indicating that the energy method is effective for predicting the dynamic mechanical properties of concrete and reinforced concrete targets under high-speed projectile penetration.

关键词： Reinforced concrete Penetration Analytical model Failure behavior

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Ground state properties and potential energy surfaces of 270Hs from multidimensionally-constrained relativistic mean field model

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Science China(Physics,Mechanics & Astronomy) 2020年第1期63卷 70-80页

作者： xu meng BingNan Lu ShanGui Zhou CAS Key Laboratory of Theoretical Physics Institute of Theoretical PhysicsChinese Academy of SciencesBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China Facility for Rare Isotope Beams and Department of Physics and Astronomy Michigan State UniversityLansing MI 48824USA Center of Theoretical Nuclear Physics National Laboratory of Heavy Ion AcceleratorLanzhou 730000China Synergetic Innovation Center for Quantum Effects and Application Hunan Normal UniversityChangsha 410081China

We study the ground state properties, potential energy curves and potential energy surfaces of the superheavy nucleus270 Hs by using the multidimensionally-constrained relativistic mean-field model with the effective interaction PC-PK1. The binding energy,size and shape as well as single particle shell structure corresponding to the ground state of this nucleus are obtained.270 Hs is well deformed and exhibits deformed doubly magic feature in the single neutron and proton level schemes. One-dimensional potential energy curves and two-dimensional potential energy surfaces are calculated for270 Hs with various spatial symmetries imposed. We investigate in detail the effects of the reflection asymmetric and triaxial distortions on the fission barrier and fission path of270 Hs. When the axial symmetry is imposed, the reflection symmetric and reflection asymmetric fission barriers both show a double-hump structure and the former is higher. However, when triaxial shapes are allowed the reflection symmetric barrier is lowered very much and then the reflection symmetric fission path becomes favorable.

关键词： MDC-RMF model superheavy nuclei potential energy surface fission barrier reflection asymmetry triaxial deformation

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Optimization of porous structures via machine learning for solar thermochemical fuel production

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Progress in Natural Science:Materials International 2024年第5期34卷 895-906页

作者： Da xu Lei Zhao meng Lin Harbin Institute of Technology Department of Mechanical and Energy Engineering Southern University of Science and Technology SUSTech Energy Institute for Carbon Neutrality Southern University of Science and Technology

Porous reactant is the key component in solar thermochemical reactions, significantly affecting the solar energy conversion and fuel production performance. Triply periodic minimal surface（TPMS） structures, with analytical expressions and predictable structure-property relationships, can facilitate the design and optimization of such structures. This work proposes a machine learning-assisted framework to optimize TPMS structures for enhanced reaction efficiency, increased fuel production,and reduced temperature gradients. To mitigate the computational cost of conventional high-throughput optimization, neural network regression models were used to for performance prediction based on input features. The training dataset was generated using a three-dimensional multiphysics model for the thermochemical reduction driven by concentrated solar energy considering fluid flow, heat and mass transfer, and chemical reacions. Both uniform and gradient structures were initially assessed by the three-dimensional model showing gradient design in c and ω were necessary for performance enhancement. Further, with our proposed optimization framework, we found that structures with parameters c1= c2= 0.5（uniform in c） and ω1= 0.2, ω2= 0.8（gradient in ω） achieved the highest relative efficiency(fchem/fchem,ref) of 1.58, a relative fuel production(Δδ/Δδref) of 7.94, and a max relative temperature gradient（dT/dy）/（dT/dy）refof 0.26. Kinetic properties,i.e., bulk diffusion and surface exchange coefficient, were also studied showing that for materilas with slow kinetics, the design space in terms of c and ω were highly limited compared to fast kinetics materials. Our framework is adaptable to diverse porous structures and operational conditions, making it a versatile tool for screening porous structures for solar thermochemical applications. This work has the potential to advance the development of efficient solar fuel production systems and scalable industrial applications in renewable energy

关键词： Regression analysis

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Colorful Silver/Carbon Nitride Composites Obtained by Photoreduction

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Chemical Research in Chinese Universities 2020年第6期36卷 1136-1140页

作者： meng Peng xu Jingsan School of Chemistry and Physics Science and Engineering FacultyQueensland University of TechnologyBrisbaneQLD 4000Australia

The Ag^+photoreduction by graphitic carbon nitride(g-CN)materials in a high concentration of Ag^+solution is reported,and a series of colorful Ag/g-CN composites is prepared and *** chromatic change correlates to the carbon nitride materials synthesized at different heating temperatures(CNr,where T means heating temperature),takingadvantage of the different photocatalytic activities of different *** mechanism beneath this phenomenon is attributed to two factors:the particle size of Ag NPs and the coordinate effect of Ag NPs on CNr ***,the multi-colors of Ag/g-CN composites display only on the CNr materials synthesized from heating melamine-cyanuric acid pre-cursor,but not on the CNr from heating pure *** color of the as-prepared Ag/g-CN composites can endure the corrosion of HNO;and ethanol,which shows a good chemical stability and may hint its application as chromophores.

关键词： Graphitic carbon nitride(g-CN) Photoreduction Silver/g-CN composite

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