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Temperature-sensitive Micelles as Artificial Chaperones for Insulin Protection

Chinese Journal of Polymer science 2025年第2期43卷 350-359页

作者： Jia-Wen Chen Yan Xiao Mei-Dong Lang Shanghai Key Laboratory of Advanced Polymeric Materials Key Laboratory for Ultrafine Materials of Ministry of EducationSchool of Materials Science and EngineeringEast China University of Science and TechnologyShanghai200237China

Insulin is an essential and versatile protein taking part in the control of blood glucose levels and protein ***,under prolonged storage or high temperature stress,insulin tends to unfold and aggregate into toxic amyloid fibrils,leading to loss of physiological *** by natural chaperones,a series of temperature-sensitive polycaprolactone-based micelles were designed to prevent insulin from *** micelles were fabricated through the self-assembly of amphiphilic copolymers of methoxy poly(ethylene glycol)-poly(4-diethylformamide caprolactone-co-caprolactone)(mPEG_(17)-P(DECL-co-CL)),which had a regular spherical morphology with particle sizes of about 100 *** addition,the lower critical solution temperature(LCST)of the micelles could be tuned to 9 and 29℃by changing the ratio of DECL to *** from the temperature-sensitivity of DECL segment,the binding ability of micelles to insulin could be modulated by changing the *** LCST,micelles effectively inhibited insulin aggregation and protected it from thermal inactivation due to the strong binding ability between the hydrophobic segment DECL and *** LCST,DECL segment returned to hydrophilic and bound weakly with insulin,leading to the release of insulin and assisting in its recovery of secondary ***,these temperature-sensitive micelles provided an effective strategy for insulin protection.

关键词： Temperature-sensitive Insulin Micelles Chaperones

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In situ construction of Cu(Ⅰ)-Cu(Ⅱ) pairs for efficient electrocatalytic nitrate reduction reaction to ammonia

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Journal of Energy Chemistry 2025年第1期100卷 106-113页

作者： Muyun Zheng Yuchi Wan Leping Yang Shen Ao Wangyang Fu Zhengjun Zhang Zheng-Hong Huang Tao Ling Feiyu Kang Ruitao Lv State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China Institute of New Energy Materials and Engineering School of Materials Science and EngineeringFuzhou UniversityFuzhou 350108FujianChina Key Laboratory of Advanced Materials(MOE) School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China Key Laboratory for Advanced Ceramics and Machining Technology of Ministry of Education Tianjin Key Laboratory of Composite and Functional MaterialsSchool of Materials Science and EngineeringTianjin UniversityTianjin 300072China

Electrocatalytic nitrate reduction reaction (NO_(3)-RR) to ammonia under ambient conditions is expected to be a green process for ammonia synthesis and alleviate water pollution *** report a CuO nanoparticles incorporated on nitrogen-doped porous carbon (CuO@NC) catalyst for NO_(3)-*** of Cu(Ⅱ) is reduced to Cu(Ⅰ) during the NO_(3)-RR process to construct Cu(Ⅰ)-Cu(Ⅱ) pairs,confirmed by in situ X-ray photoelectron spectroscopy (XPS) and Raman *** functional theory (DFT) calculations indicated that the formation of Cu(Ⅰ) could provide a reaction path with smaller energy barrier for NO_(3)-RR,while Cu(Ⅱ) effectively suppressed the competition of hydrogen evolution reaction (HER).As a result,CuO@NC catalyst achieved a Faradaic efficiency of 84.2% at -0.49 V versus reversible hydrogen electrode (RHE),and a NH_(3)yield rate of 17.2 mg h^(-1)mg^(-1)*** -0.79 V ***,higher than the HaberBosch process (<3.4 g h^(-1)g^(-1)cat.).This work may open a new avenue for effective NO_(3)-RR by modulating oxidation states.

关键词： Ammonia synthesis Cu oxidation state Electrochemistry Nitrate reduction In situ XPS

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Drainage-induced arch hydrogel-based interfacial evaporator drives long-term stable solar evaporation

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Journal of Energy Chemistry 2025年第5期104卷 540-550页

作者： Zexiang Zhao Junqi Li Fan Wang Puxin Tan Lu Wang Bo Wang Jingjing Jin Xiaoxue Wang Wenhe Zhang Chengbing Wang School of Materials Science and Engineering Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic Materials Shaanxi University of Science and Technology

Hydrogel has developed into a very important platform in solar interface ***,the current hydrogel evaporators are usually three-dimensional evaporators,which will consume a lot of raw ***,a new two-dimensional hydrogel evaporator is urgently needed to alleviate this ***,a double layer hydrogel evaporator was designed by twice vacuum ***,through the arched design and the introduction of concentrated brine drainage system,the hydrogel evaporator has enhanced water transportation and tailored water transportation *** a unique drainage evaporation system greatly improves the stability of the ***,a good balance is established between photothermal conversion and water supply,and solar energy is utilized *** can remain stable in continuous evaporation for up to 12 h with an excellent evaporation rate of 2.70 kg m-2h-1under 1 sun ***,the drainage system realized the 1.8×10-10mol m-2s-1diffusion flux of concentrated *** one-time freeze-drying preparation,an arch-shaped drainage evaporator was used to prepare an evaporation area of more than 20 *** the self-made condensate collecting device in outdoor environment,the fresh water yield reaches 7.5 L *** provides a new scheme for building a new hydrogel evaporator and solving the fresh water crisis.

关键词： Alginate Arch hydrogel Drainage system Salt-tolerant Solar evaporation

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Plastic deformation mechanism of γ-phase U–Mo alloy studied by molecular dynamics simulations

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Chinese Physics B 2025年第1期34卷 468-475页

作者： Chang Wang Peng Peng Wen-Sheng Lai Key Laboratory of Advanced Materials(MOE) School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China

Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the plastic deformation mechanisms of γ-phase U–Mo alloys using molecular dynamics(MD) simulations. In the slip model, the generalized stacking fault energy(GSFE) and the modified Peierls–Nabarro(P–N) model are used to determine the competitive relationships among different slip systems. In the twinning model, the generalized plane fault energy(GPFE) is assessed to evaluate the competition between slip and twinning. The findings reveal that among the three slip systems, the {110}<111>slip system is preferentially activated, while in the {112}<111> system, twinning is favored over slip, as confirmed by MD tensile simulations conducted in various directions. Additionally, the impact of Mo content on deformation behavior is emphasized. Insights are provided for optimizing process conditions to avoid γ → α′′ transitions, thereby maintaining a higher proportion of γ-phase U–Mo alloys for practical applications.

关键词： U-Mo alloy molecular dynamics simulation plastic deformation mechanism dislocation slip twin formation

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A molecular dynamics simulation route towards Eu-doped multi-component transparent spectral conversion glass-ceramics

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Journal of Rare Earths 2025年第1期43卷 146-152,I0006页

作者： Xiuxia Xu Chenhao Wang Di Wang Wenyan Zheng Zhiyu Liu Jincheng Du Xusheng Qiao Xianping Fan Zhiyu Wang Guodong Qian State Key Laboratory of Silicon Materials School of Materials Science and EngineeringZhejiang UniversityHangzhou310027China State Key Laboratory of Silicon Materials MOE Key Laboratory of Macromolecular Synthesis and FunctionalizationDepartment of Polymer Science and EngineeringZhejiang UniversityHangzhou310027China Department of Materials Science and Engineering University of North TexasDentonTX76203-5017USA

Eu^(2+)doped fluorosilicate glass-ceramics containing BaF_(2) nanocrystals have high potential as spectral conversion materials for organic solar ***,it is difficult to realize the efficient design of BaF_(2):Eu^(2+)doped fluorosilicate glass and to vividly observe the glass microstructure in experiment through traditional trial-and-error glass preparation ***_(2):Eu^(2+)doped fluorosilicate glassceramics with high transparency,and high photoluminescence(PL)performance were predicted,designed and prepared via molecular dynamics(MD)simulation *** MD simulation prediction,self-organized nanocrystallization was realized to inhibit the abnormal growth of nanocrystals due to[AlO_(4)]tetrahedra formed in the fluoride-oxide *** introduction of NaF reduces the effective phonon energy of the glass because Na+will prompt Al^(3+)to migrate from the fluoride phase to the silicate phase and *** local environment of Eu^(2+)is optimized by predicting the doping concentration of EuF_(3) and 2 mol%EuF3 is the best concentration in this ***-ceramics sample GC2Eu as spectral conversion layer was successfully applied on organic solar cells to obtain more available visible phonons with a high photoelectric conversion efficiency(PCE).This work confirms the guidance of molecular dynamics simulation methods for fluorosilicate glasses design.

关键词： Molecular dynamics simulation Fluorosilicateglass Spectral conversion Organic solarcell Rareearths

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Achieving ultrahigh strength and ductility via high-density nanoprecipitates triggering multiple deformation mechanisms in a dual-aging high-entropy alloy with precold deformation

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材料科学技术（英文版） 2025年第2期205卷 27-41页

作者： Liyuan Liu Yang Zhang Zhongwu Zhang Key Laboratory of Superlight Materials and Surface Technology Ministry of EducationCollege of Materials Science and Chemical EngineeringHarbin Engineering UniversityHarbin 150001China Key Laboratory of Superlight Materials and Surface Technology Ministry of EducationCollege of Materials Science and Chemical EngineeringHarbin Engineering UniversityHarbin 150001China State Key Laboratory of Metal Materials for Marine Equipment and Application Anshan 114009China

How to achieve high-entropy alloys(HEAs)with ultrahigh strength and ductility is a challenging *** strengthening is one of the methods to significantly enhance strength,but unfortunately,ductility will be *** overcome the strength-ductility trade-off,the strategy of this study is to induce the formation of high-density nanoprecipitates through dual aging(DA),triggering multiple deformation mechanisms,to obtain HEAs with ultrahigh strength and ***,the effect of precold deforma-tion on precipitation behavior was studied using Ni35(CoFe)55V5Nb5(at.％)HEAas the *** results reveal that the activation energy of recrystallization is 112.2 kJ/*** the precold-deformation amount increases from 15％to 65％,the activation energy of precipitation gradually decreases from 178.8 to 159.7 kJ/*** precipitation time shortens,the size of the nanoprecipitate decreases,and the den-sity ***,the thermal treatment parameters were optimized,and the DA process was customized based on the effect of precold deformation on precipitation ***-density L12 nano-precipitates(～3.21 × 1025 m-3)were induced in the 65％precold-deformed HEA,which led to the si-multaneous formation of twins and stacking fault(SF)networks during *** yield strength(YS),ultimate tensile strength,and ductility of the DA-HEA are～2.0 GPa,～2.2 GPa,and～12.3％,*** with the solid solution HEA,the YS of the DA-HEA increased by 1,657 MPa,possessing an astonishing increase of～440％.The high YS stems from the precipitation strengthening contributed by the L12 nanoprecipitates and the dislocation strengthening contributed by precold *** synergistically enhanced ductility stems from the high strain-hardening ability under the dual support of twinning-induced plasticity and SF-induced plasticity.

关键词： High-entropy alloy Precold deformation Precipitation behavior Ultrahigh strength Deformation mechanism

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Preparation of silver nanoparticles through the reduction of straw-extracted lignin and its antibacterial hydrogel

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International Journal of Minerals,Metallurgy and materials 2025年第2期32卷 504-514页

作者： Lou Zhang Shuo Li Fu Tang Jingkai Zhang Yuetong Kang Hean Zhang Lidong Li State Key Laboratory for Advanced Metals and Materials School of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijing 100083China

Silver nanoparticles(Ag NPs)have attracted attention in the field of biomaterials due to their excellent antibacterial ***,the reducing and stabilizing agents used for the chemical reduction of Ag NPs are usually toxic and may cause water *** this work,Ag NPs(31.2 nm in diameter)were prepared using the extract of straw,an agricultural waste,as the reducing and stabilizing *** analysis revealed that the straw extract contained lignin,the structure of which possesses phenolic hydroxyl and methoxy groups that facilitate the reduction of silver salts into Ag *** surfaces of Ag NPs were negatively charged due to the encapsulation of a thin layer of lignin molecules that prevented their *** the prepared Ag NPs were added to the precursor solution of acrylamide,free radical polymerization was triggered without the need for extra heating or light irradiation,resulting in the rapid formation of an Ag NP-polyacrylamide composite *** inhibition zone test proved that the composite hydrogel possessed excellent antibacterial ability due to the presence of Ag *** prepared hydrogel may have potential applications in the fabrication of biomedical materials,such as antibacterial dressings.

关键词： silver nanoparticles hydrogel straw extraction antibacterial

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Sulfur doping and oxygen vacancy in In_(2)O_(3) nanotube co-regulate intermediates of CO_(2) electroreduction for efficient HCOOH production and rechargeable Zn-CO_(2) battery

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Journal of Energy Chemistry 2025年第2期101卷 474-484,I0010页

作者： Yu Li Zhengrong Xu Quanxin Guo Qin Li Rui Liu Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education School of Materials Science and EngineeringTongji UniversityShanghai 201804China

By manipulating the distribution of surface electrons,defect engineering enables effective control over the adsorption energy between adsorbates and active sites in the CO_(2)reduction reaction(CO_(2)RR).Herein,we report a hollow indium oxide nanotube containing both oxygen vacancy and sulfur doping(V_o-Sx-In_(2)O_(3))for improved CO_(2)-to-HCOOH electroreduction and Zn-CO_(2)*** componential synergy significantly reduces the*OCHO formation barrier to expedite protonation process and creates a favorable electronic micro-environment for*HCOOH *** a result,the CO_(2)RR performance of Vo-Sx-In_(2)O_(3)outperforms Pure-In_(2)O_(3)and V_o-In_(2)O_(3),where V_o-S53-In_(2)O_(3)exhibits a maximal HCOOH Faradaic efficiency of 92.4%at-1,2 V *** hydrogen electrode(RHE)in H-cell and above 92%over a wide window potential with high current density(119.1 mA cm^(-2)at-1.1 V ***)in flow ***,the rechargeable Zn-CO_(2)battery utilizing V_o-S53-In_(2)O_(3)as cathode shows a high power density of 2.29 mW cm^(-2)and a long-term stability during charge-discharge *** work provides a valuable perspective to elucidate co-defective catalysts in regulating the intermediates for efficient CO_(2)RR.

关键词： CO_(2)electroreduction Oxygen vacancy Sulfur doping In_(2)0_(3) Intermediate Zn-CO_(2)battery

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Insight into the Solution Self-Assembly of Amphiphilic Asymmetric Brush Copolymers via Computer Simulations

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Chinese Journal of Polymer science 2025年第1期43卷 132-140,I0010页

作者： Wei-Ting Zeng Wei-Sheng Feng Xing Zhang Yuan Yao Bin-Bin Xu Shao-Liang Lin Shanghai Key Laboratory of Advanced Polymeric Materials Key Laboratory for Ultrafine Materials of Ministry of EducationFrontiers Science Center for Materiobiology and Dynamic ChemistrySchool of Materials Science and EngineeringEast China University of Science and TechnologyShanghai200237China

Amphiphilic asymmetric brush copolymers(AABCs)possess unique self-assembly behaviors owing to their asymmetric brush architecture and multiple functionalities of multicomponent side ***,the synthesis of AABCs presents challenges,which greatly limits the exploration of their self-assembly *** this work,we employed dissipative particle dynamics(DPD)simulations to investigate the self-assembly behaviors of AABCs in selective *** varying the copolymer concentration and structure,we conducted the self-assembly phase diagrams of AABCs,revealing complex morphologies such as channelized micelles with one or more solvophilic ***,the number,surface area,and one-dimensional density distribution of the channelized micelles were calculated to demonstrate the internal structure and morphological transformation during the self-assembly *** findings indicate that the morphology of the internal solvophilic channels is greatly influenced by the copolymer structure,concentration,and interaction parameters between the different side *** simulation results are consistent with available experimental observations,which can offer theoretical insights into the self-assembly of AABCs.

关键词： Dissipative particle dynamics Brush copolymer Self-assembly Channelized micelle

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Temperature fields prediction for the casting process by a conditional diffusion model

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China Foundry 2025年第2期22卷 139-150页

作者： Jin-wu Kang Jing-xi Zhu Qi-chao Zhao School of Materials Science and Engineering Key Laboratory for Advanced Materials Processing TechnologyTsinghua UniversityBeijing 100084China

Deep learning has achieved great progress in image recognition,segmentation,semantic recognition and game *** this study,a latest deep learning model,a conditional diffusion model was adopted as a surrogate model to predict the heat transfer during the casting process instead of numerical *** conditional diffusion model was established and trained with the geometry shapes,initial temperature fields and temperature fields at t_(i) as the condition and random noise sampled from standard normal distribution as the *** output was the temperature field at t_(i+1).Therefore,the temperature field at t_(i+1)can be predicted as the temperature field at t_(i) is known,and the continuous temperature fields of all the time steps can be predicted based on the initial temperature field of an arbitrary 2D geometry.A training set with 3022D shapes and their simulated temperature fields at different time steps was *** accuracy for the temperature field for a single time step reaches 97.7%,and that for continuous time steps reaches 69.1%with the main error actually existing in the sand *** effect of geometry shape and initial temperature field on the prediction accuracy was investigated,the former achieves better result than the latter because the former can identify casting,mold and chill by different colors in the input *** diffusion model has proved the potential as a surrogate model for numerical simulation of the casting process.

关键词： diffusion model U-Net casting simulation heat transfer

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