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Mechanical Behavior and Microstructure Evolution during Tensile Deformation of Twinning Induced Plasticity Steel Processed by Warm Forgings
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作者 王文 ZHAO Modi +2 位作者 WANG Xingfu 汪聃 韩福生 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第2期417-424,共8页
The mechanical behavior and microstructural evolution of an Fe-30Mn-3Al-3Si twinninginduced plasticity(TWIP)steel processed using warm forging was investigated.It is found that steel processed via warm forging improve... The mechanical behavior and microstructural evolution of an Fe-30Mn-3Al-3Si twinninginduced plasticity(TWIP)steel processed using warm forging was investigated.It is found that steel processed via warm forging improves comprehensive mechanical properties compared to the TWIP steel processed via cold rolling,with a high tensile strength(R_(m))of 793 MPa,a yield strength(R_(P))of 682 MPa,an extremely large R_(P)/R_(m)ratio as high as 0.86 as well as an excellent elongation rate of 46.8%.The microstructure observation demonstrates that steel processed by warm forging consists of large and elongated grains together with fine,equiaxed grains.Complicated micro-defect configurations were also observed within the steel,including dense dislocation networks and a few coarse deformation twins.As the plastic deformation proceeds,the densities of dislocations and deformation twins significantly increase.Moreover,a great number of slip lines could be observed in the elongated grains.These findings reveal that a much more dramatic interaction between microstructural defect and dislocations glide takes place in the forging sample,wherein the fine and equiaxed grains propagated dislocations more rapidly,together with initial defect configurations,are responsible for enhanced strength properties.Meanwhile,larger,elongated grains with more prevalently activated deformation twins result in high plasticity. 展开更多
关键词 TWIP steel twinNING mechanical property deformation mechanism MICROstructure
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Research on digital twin technology and its application in intelligent operation and maintenance of highspeed railway infrastructure
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作者 Yi liu Ping Li +3 位作者 Boqing Feng Peifen Pan Xueying Wang Qiliang Zhao 《Railway Sciences》 2024年第6期746-763,共18页
Purpose–This paper analyzes the application of digital twin technology in the field of intelligent operation and maintenance of high-speed railway infrastructure from the perspective of top-level design.Design/method... Purpose–This paper analyzes the application of digital twin technology in the field of intelligent operation and maintenance of high-speed railway infrastructure from the perspective of top-level design.Design/methodology/approach–This paper provides a comprehensive overview of the definition,connotations,characteristics and key technologies of digital twin technology.It also conducts a thorough analysis of the current state of digital twin applications,with a particular focus on the overall requirements for intelligent operation and maintenance of high-speed railway infrastructure.Using the Jinan Yellow River Bridge on the Beijing–Shanghai high-speed railway as a case study,the paper details the construction process of the twin system from the perspectives of system architecture,theoretical definition,model construction and platform design.Findings–Digital twin technology can play an important role in the whole life cycle management,fault prediction and condition monitoring in the field of high-speed rail operation and maintenance.Digital twin technology is of great significance to improve the intelligent level of high-speed railway operation and management.Originality/value–This paper systematically summarizes the main components of digital twin railway.The general framework of the digital twin bridge is given,and its application in the field of intelligent operation and maintenance is prospected. 展开更多
关键词 System architecture Digital twin Intelligent railway Beijing–shanghai high-speed railway Intelligent maintenance
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安氏Ⅱ类错[牙合]畸形佩戴Twin-block矫治器时上颌骨的应力分布
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作者 李帅 刘桦 +3 位作者 商永慧 刘义琮 赵启航 刘文 《中国组织工程研究》 CAS 北大核心 2025年第5期881-887,共7页
背景:Twin-block矫治器常用于安氏Ⅱ类错[牙合]畸形的矫治,其刺激下颌骨生长的作用机制已得到许多研究证实,但对上颌骨生长的影响尚不清楚。目的:通过有限元法分析安氏Ⅱ类错[牙合]畸形患者佩戴Twin-block矫治器时上颌骨复合体、周围骨... 背景:Twin-block矫治器常用于安氏Ⅱ类错[牙合]畸形的矫治,其刺激下颌骨生长的作用机制已得到许多研究证实,但对上颌骨生长的影响尚不清楚。目的:通过有限元法分析安氏Ⅱ类错[牙合]畸形患者佩戴Twin-block矫治器时上颌骨复合体、周围骨缝及上颌牙列的应力分布。方法:选择在山东省康复大学青岛医院/青岛市市立医院口腔正畸科进行正畸治疗的安氏Ⅱ类错[牙合]畸形患者1例,测量患者佩戴Twin-block矫治器时的咬合力数据,采集其锥形束CT数据,建立包含上颌骨复合体、周边各骨缝、Twin-block矫治器及上颌牙列在内的有限元模型,通过ABAQUS软件模拟患者戴入Twin-block时上颌骨、骨缝及上颌牙列的应力分布与位移。结果与结论:①上颌前牙受到的等效应力明显小于后牙,两侧牙齿的最大等效应力分别为4.7975 MPa和8.7161 MPa,均位于第一前磨牙处;最大位移呈现在两侧上颌切牙处,分别为0.0805 mm和0.0810 mm;②骨缝的最大等效应力为1.284 MPa,主要集中在两侧翼腭缝及额颌缝,其余骨缝受力情况几乎无差异;骨缝的最大位移为0.07 mm,其中翼腭缝的位移量最大,其次是额颌缝;③上颌骨复合体受到的最大等效应力为27.18 MPa,主要集中在上颌骨前面梨状孔两侧、鼻额缝周边及颚骨后部翼腭缝附近;上颌骨的最大位移值为0.07 mm,主要集中于上颌牙槽骨;④结果显示,咬合力通过Twin-block矫治器作用于上颌骨复合体,导致上颌骨顺时针旋转、牙合平面变陡,应采取相应措施补偿这种趋势,例如建牙合过程中考虑上颌磨牙伸长、下颌磨牙压低,不仅能够将牙合平面整平,同时有利于下颌前伸,这将进一步提高Ⅱ类错[牙合]正畸治疗效果。 展开更多
关键词 错牙合畸形 组织构建 骨组织工程 twin-BLOCK矫治器 功能矫治 有限元分析
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Robust by design:Designing ICT infrastructures using Twins
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作者 Fabrizio Baiardi 《Digital Twins and Applications》 2024年第2期169-181,共13页
Robust-by-design(RbD)is a design strategy that uses adversary emulation to strengthen the security of an information and communication infrastructure.It relies on two key components:the security twin and the threat ac... Robust-by-design(RbD)is a design strategy that uses adversary emulation to strengthen the security of an information and communication infrastructure.It relies on two key components:the security twin and the threat actor twins.The security twin is a detailed database that outlines the different parts of the infrastructure,how they are connected,and their vulnerabilities.It also highlights the types of attacks each part could enable.On the other hand,the twin of a threat actor describes its potential attack surface,the attacks it can carry out,its strategy,and its ultimate goal,if any.This information comes from threat intelligence.RbD conducts independent simulations of various threat actors against the security twin to identify all possible attack paths they could exploit.Three types of analysis use this information to improve the robustness and resilience of the infrastructure.The first analysis fills in the gaps in threat intelligence by extending in-formation on threat actors and vulnerabilities.The second analysis focuses on selecting countermeasures aimed at eliminating attack paths or at least reducing their chances of success.Possible countermeasures include patching vulnerabilities,adjusting firewall rules,and implementing network segmentation.Information on attack paths guides the choice and configuration of these countermeasures.Once the infrastructure twin is updated to reflect countermeasure deployment,RbD performs further simulations to uncover any new attack paths that could be exploited and to identify additional coun-termeasures.The final analysis seeks to address the risks associated with any remaining unaddressed attack paths. 展开更多
关键词 adversary emulation COUNTERMEASURE digital twin security by design VULNERABILITY
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Viscosity and structure relationship with equimolar substitution of CaO with MgO in the CaO–MgO–Al_(2)O_(3)–SiO_(2)slag melts
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作者 Yong Hou Shuo Zhang +3 位作者 Jie Dang Jia Guo Hanghang Zhou Xuewei Lü 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS 2025年第1期70-79,共10页
Currently,the Al_(2)O_(3)content in the high-alumina slag systems within blast furnaces is generally limited to 16wt%–18.5wt%,making it challenging to overcome this limitation.Unlike most studies that concentrated on... Currently,the Al_(2)O_(3)content in the high-alumina slag systems within blast furnaces is generally limited to 16wt%–18.5wt%,making it challenging to overcome this limitation.Unlike most studies that concentrated on managing the MgO/Al_(2)O_(3)ratio or basicity,this paper explored the effect of equimolar substitution of MgO for CaO on the viscosity and structure of a high-alumina CaO-MgO-Al_(2)O_(3)-SiO_(2)slag system,providing theoretical guidance and data to facilitate the application of high-alumina ores.The results revealed that the viscosity first decreased and then increased with higher MgO substitution,reaching a minimum at 15mol%MgO concentration.Fourier transform infrared spectroscopy(FTIR)results found that the depths of the troughs representing[SiO_(4)]tetrahedra,[AlO_(4)]tetrahedra,and Si-O-Al bending became progressively deeper with increased MgO substitution.Deconvolution of the Raman spectra showed that the average number of bridging oxygens per Si atom and the X_(Q^(3))/X_(Q^(2))(X_(Q^(i))is the molar fraction of Q^(i) unit,and i is the number of bridging oxygens in a[SiO_(4)]tetrahedral unit)ratio increased from 2.30 and 1.02 to 2.52 and 2.14,respectively,indicating a progressive polymerization of the silicate structure.X-ray photoelectron spectroscopy(XPS)results highlighted that non-bridging oxygen content decreased from 77.97mol% to 63.41mol% with increasing MgO concentration,whereas bridging oxygen and free oxygen contents increased.Structural analysis demonstrated a gradual increase in the polymerization degree of the tetrahedral structure with the increase in MgO substitution.However,bond strength is another important factor affecting the slag viscosity.The occurrence of a viscosity minimum can be attributed to the complex evolution of bond strengths of non-bridging oxygens generated during depolymerization of the[SiO_(4)]and[AlO_(4)]tetrahedral structures by CaO and MgO. 展开更多
关键词 ALUMINOSILICATE VISCOSITY structure spectroscopy
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Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion
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作者 Wei Ma Jiahao Yao +6 位作者 Fang Xie Xinqi Wang Hao Wan Xiangjian Shen Lili Zhang Menggai Jiao Zhen Zhou 《Green Energy & Environment》 SCIE EI CAS 2025年第1期109-131,共23页
Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic efficiency.The introduction of defects emerges as a promising strategy,effectively modifying the e... Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic efficiency.The introduction of defects emerges as a promising strategy,effectively modifying the electronic structure of active sites.This optimization influences the adsorption energy of intermediates,thereby mitigating reaction energy barriers,altering paths,enhancing selectivity,and ultimately improving the catalytic efficiency of electrocatalysts.To elucidate the impact of defects on the electrocatalytic process,we comprehensively outline the roles of various point defects,their synthetic methodologies,and characterization techniques.Importantly,we consolidate insights into the relationship between point defects and catalytic activity for hydrogen/oxygen evolution and CO_(2)/O_(2)/N_(2) reduction reactions by integrating mechanisms from diverse reactions.This underscores the pivotal role of point defects in enhancing catalytic performance.At last,the principal challenges and prospects associated with point defects in current electrocatalysts are proposed,emphasizing their role in advancing the efficiency of electrochemical energy storage and conversion materials. 展开更多
关键词 Point defect engineering DOPING VACANCY ELECTROCATALYSIS Electronic structure
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Advanced Functional Electromagnetic Shielding Materials:A Review Based on Micro‑Nano Structure Interface Control of Biomass Cell Walls
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作者 Yang Shi Mingjun Wu +14 位作者 Shengbo Ge Jianzhang Li Anoud Saud Alshammari Jing Luo Mohammed A.Amin Hua Qiu Jinxuan Jiang Yazeed M.Asiri Runzhou Huang Hua Hou Zeinhom M.El‑Bahy Zhanhu Guo Chong Jia Kaimeng Xu Xiangmeng Chen 《Nano-Micro Letters》 SCIE EI CAS 2025年第1期98-134,共37页
Research efforts on electromagnetic interference(EMI)shielding materials have begun to converge on green and sustainable biomass materials.These materials offer numerous advantages such as being lightweight,porous,and... Research efforts on electromagnetic interference(EMI)shielding materials have begun to converge on green and sustainable biomass materials.These materials offer numerous advantages such as being lightweight,porous,and hierarchical.Due to their porous nature,interfacial compatibility,and electrical conductivity,biomass materials hold significant potential as EMI shielding materials.Despite concerted efforts on the EMI shielding of biomass materials have been reported,this research area is still relatively new compared to traditional EMI shielding materials.In particular,a more comprehensive study and summary of the factors influencing biomass EMI shielding materials including the pore structure adjustment,preparation process,and micro-control would be valuable.The preparation methods and characteristics of wood,bamboo,cellulose and lignin in EMI shielding field are critically discussed in this paper,and similar biomass EMI materials are summarized and analyzed.The composite methods and fillers of various biomass materials were reviewed.this paper also highlights the mechanism of EMI shielding as well as existing prospects and challenges for development trends in this field. 展开更多
关键词 Biomass materials Electromagnetic interference shielding Micro-nano structure interface control CONDUCTIVITY
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Molecular Structure Tailoring of Organic Spacers for High‑Performance Ruddlesden–Popper Perovskite Solar Cells
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作者 Pengyun Liu Xuejin Li +6 位作者 Tonghui Cai Wei Xing Naitao Yang Hamidreza Arandiyan Zongping Shao Shaobin Wang Shaomin Liu 《Nano-Micro Letters》 SCIE EI CAS 2025年第2期314-357,共44页
Layer-structured Ruddlesden–Popper(RP)perovskites(RPPs)with decent stability have captured the imagination of the photovoltaic research community and bring hope for boosting the development of perovskite solar cell(P... Layer-structured Ruddlesden–Popper(RP)perovskites(RPPs)with decent stability have captured the imagination of the photovoltaic research community and bring hope for boosting the development of perovskite solar cell(PSC)technology.However,two-dimensional(2D)or quasi-2D RP PSCs are encountered with some challenges of the large exciton binding energy,blocked charge transport and poor film quality,which restrict their photovoltaic performance.Fortunately,these issues can be readily resolved by rationally designing spacer cations of RPPs.This review mainly focuses on how to design the molecular structures of organic spacers and aims to endow RPPs with outstanding photovoltaic applications.We firstly elucidated the important roles of organic spacers in impacting crystallization kinetics,charge transporting ability and stability of RPPs.Then we brought three aspects to attention for designing organic spacers.Finally,we presented the specific molecular structure design strategies for organic spacers of RPPs aiming to improve photovoltaic performance of RP PSCs.These proposed strategies in this review will provide new avenues to develop novel organic spacers for RPPs and advance the development of RPP photovoltaic technology for future applications. 展开更多
关键词 Ruddlesden-Popper perovskites Low-dimensional perovskite solar cells Organic spacers Molecular structure Design strategies
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3D Printing of Tough Hydrogel Scaffolds with Functional Surface Structures for Tissue Regeneration
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作者 Ke Yao Gaoying Hong +11 位作者 Ximin Yuan Weicheng Kong Pengcheng Xia Yuanrong Li Yuewei Chen Nian Liu Jing He Jue Shi Zihe Hu Yanyan Zhou Zhijian Xie Yong He 《Nano-Micro Letters》 SCIE EI CAS 2025年第2期18-45,共28页
Hydrogel scaffolds have numerous potential applications in the tissue engineering field.However,tough hydrogel scaffolds implanted in vivo are seldom reported because it is difficult to balance biocompatibility and hi... Hydrogel scaffolds have numerous potential applications in the tissue engineering field.However,tough hydrogel scaffolds implanted in vivo are seldom reported because it is difficult to balance biocompatibility and high mechanical properties.Inspired by Chinese ramen,we propose a universal fabricating method(printing-P,training-T,cross-linking-C,PTC&PCT)for tough hydrogel scaffolds to fill this gap.First,3D printing fabricates a hydrogel scaffold with desired structures(P).Then,the scaffold could have extraordinarily high mechanical properties and functional surface structure by cycle mechanical training with salting-out assistance(T).Finally,the training results are fixed by photo-cross-linking processing(C).The tough gelatin hydrogel scaffolds exhibit excellent tensile strength of 6.66 MPa(622-fold untreated)and have excellent biocompatibility.Furthermore,this scaffold possesses functional surface structures from nanometer to micron to millimeter,which can efficiently induce directional cell growth.Interestingly,this strategy can produce bionic human tissue with mechanical properties of 10 kPa-10 MPa by changing the type of salt,and many hydrogels,such as gelatin and silk,could be improved with PTC or PCT strategies.Animal experiments show that this scaffold can effectively promote the new generation of muscle fibers,blood vessels,and nerves within 4 weeks,prompting the rapid regeneration of large-volume muscle loss injuries. 展开更多
关键词 3D printing Tough hydrogel scaffold Functional surface structure Tissue regeneration BIOMATERIALS
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Graphene Aerogel Composites with Self‑Organized Nanowires‑Packed Honeycomb Structure for Highly Efficient Electromagnetic Wave Absorption
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作者 Xiao You Huiying Ouyang +6 位作者 Ruixiang Deng Qiuqi Zhang Zhenzhong Xing Xiaowu Chen Qingliang Shan Jinshan Yang Shaoming Dong 《Nano-Micro Letters》 SCIE EI CAS 2025年第2期533-547,共15页
With vigorous developments in nanotechnology,the elaborate regulation of microstructure shows attractive potential in the design of electromagnetic wave absorbers.Herein,a hierarchical porous structure and composite h... With vigorous developments in nanotechnology,the elaborate regulation of microstructure shows attractive potential in the design of electromagnetic wave absorbers.Herein,a hierarchical porous structure and composite heterogeneous interface are constructed successfully to optimize the electromagnetic loss capacity.The macro–micro-synergistic graphene aerogel formed by the ice template‑assisted 3D printing strategy is cut by silicon carbide nanowires(SiC_(nws))grown in situ,while boron nitride(BN)interfacial structure is introduced on graphene nanoplates.The unique composite structure forces multiple scattering of incident EMWs,ensuring the combined effects of interfacial polarization,conduction networks,and magnetic-dielectric synergy.Therefore,the as-prepared composites present a minimum reflection loss value of−37.8 dB and a wide effective absorption bandwidth(EAB)of 9.2 GHz(from 8.8 to 18.0 GHz)at 2.5 mm.Besides,relying on the intrinsic high-temperature resistance of SiC_(nws) and BN,the EAB also remains above 5.0 GHz after annealing in air environment at 600℃ for 10 h. 展开更多
关键词 Hierarchical porous structure Interface High-temperature resistance Graphene aerogel composites Electromagnetic wave absorption
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Independent risk factors for twin pregnancy adverse fetal outcomes before 28 gestational week by first trimester ultrasound screening
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作者 Hui-Ping Zhang Li Bao +1 位作者 Jing-Jing Wu Yu-Qing Zhou 《World Journal of Radiology》 2025年第1期41-48,共8页
BACKGROUND The incidence of multiple pregnancies has increased worldwide recently and women with a twin pregnancy are at higher risk of adverse outcomes compared with women with a singleton pregnancy.It is important t... BACKGROUND The incidence of multiple pregnancies has increased worldwide recently and women with a twin pregnancy are at higher risk of adverse outcomes compared with women with a singleton pregnancy.It is important to understand the risk factors for adverse fetal outcomes in twin pregnancy in order to guide clinical management.AIM To identify the independent risk factors,including maternal personal and family medical histories and first trimester ultrasound screening findings,for adverse fetal outcomes of twin pregnancy before 28 weeks of gestation.METHODS The data of 126 twin pregnancies in our hospital,including pregnancy outcomes,first trimester ultrasound screening findings and maternal medical history,were retrospectively collected.Twenty-nine women with adverse outcomes were included in the abnormal group and the remaining 97 women were included in the control group.RESULTS Patients in the abnormal group were more likely to be monochorionic diamniotic(13/29 vs 20/97,P=0.009),with a higher mean pulsatility index(PI,1.57±0.55 vs 1.28±0.42,P=0.003;cutoff value:1.393)or a higher mean resistance index(0.71±0.11 vs 0.65±0.11,P=0.008;cutoff value:0.683)or early diastolic notch of bilateral uterine arteries(UtAs,10/29 vs 15/97,P=0.024)or with abnormal ultrasound findings(13/29 vs 2/97,P<0.001),compared with the control group.Monochorionic diamnioticity,higher mean PI of bilateral UtAs and abnormal ultrasound findings during first trimester screening were independent risk factors for adverse fetal outcomes(P<0.05).CONCLUSION First trimester ultrasound screening for twin pregnancy identifies independent risk factors and is useful for the prediction of fetal outcomes. 展开更多
关键词 twin pregnancy First trimester ultrasound screening Uterine artery Pulsatility index Monochorionic diamniotic twin
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Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential
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作者 Jia Zhao Taixi Feng Guimin Lu 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS 2025年第2期439-449,共11页
The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La a... The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies. 展开更多
关键词 magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation
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Copper complexes of anthrahydrazone bearing pyridyl side chain:Synthesis,crystal structure,anticancer activity,and DNA binding
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作者 HUANG Yao WU Yingshu +5 位作者 BAO Zhichun HUANG Yue TANG Shangfeng LIU Ruixue LIU Yancheng LIANG Hong 《无机化学学报》 北大核心 2025年第1期213-224,共12页
To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bisp... To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bispyridylanthrahydrazone(9,10‑PAH)were designed and synthesized.Utilizing 9‑PAH and 9,10‑PAH as promising anticancer ligands,their respective copper complexes,namely[Cu(L1)Cl_(2)]Cl(1)and{[Cu_(4)(μ_(2)‑Cl)_(3)Cl_(4)(9,10‑PAH)_(2)(DMSO)_(2)]Cl_(2)}_(n)(2),were subsequently synthesized,where the new ligand L1 is formed by coupling two 9‑PAH ligands in the coordination reaction.The chemical and crystal structures of 1 and 2 were elucidated by IR,MS,elemental analysis,and single‑crystal X‑ray diffraction.Complex 1 forms a mononuclear structure.L1 coordinates with Cu through its three N atoms,together with two Cl atoms,to form a five‑coordinated square pyramidal geometry.Complex 2 constitutes a polymeric structure,wherein each structural unit centrosymmetrically encompasses two five‑coordinated binuclear copper complexes(Cu1,Cu2)of 9,10‑PAH,with similar square pyramidal geometry.A chlorine atom(Cl_(2)),located at the symmetry center,bridges Cu1 and Cu1A to connect the two binuclear copper structures.Meanwhile,the two five‑coordinated Cu2 atoms symmetrically bridge the adjacent structural units via one coordinated Cl atom,respectively,thus forming a 1D chain‑like polymeric structure.In vitro anticancer activity assessments revealed that 1 and 2 showed significant cytotoxicity even higher than cisplatin.Specifically,the IC_(50)values of 2 against HeLa‑229 and SK‑OV‑3 cancer cell lines were determined to be(5.92±0.32)μmol·L^(-1)and(6.48±0.39)μmol·L^(-1),respectively.2 could also block the proliferation of HeLa‑229 cells in S phase and significantly induce cell apoptosis.In addition,fluorescence quenching competition experiments suggested that 2 might interact with DNA by an intercalative binding mode,offering insights into its underlying anticancer mechanism.CCDC:2388918,1;2388919,2. 展开更多
关键词 anthrahydrazone metal complex crystal structure anticancer activity cell apoptosis
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Structure variation of cadmium naphthalene⁃diphosphonates with the changing rigidity of N⁃donor auxiliary ligands
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作者 XU Yan LI Suzhi +3 位作者 LI Yan FENG Lushun SUN Wentao LI Xinxing 《无机化学学报》 北大核心 2025年第2期395-406,共12页
Five cadmium naphthalene-diphosphonates,formulated as[Cd_(1.5)(1,4-ndpaH_(2))2(4,4'-bpyH)(4,4'-bpy)0.5(H_(2)O)_(2)]2(1),[Cd(1,4-ndpaH_(2))(1,4-bib)0.5(H_(2)O)](2),[Cd(1,4-ndpaH3)2(1,2-dpe)(H_(2)O)]·(1,2-d... Five cadmium naphthalene-diphosphonates,formulated as[Cd_(1.5)(1,4-ndpaH_(2))2(4,4'-bpyH)(4,4'-bpy)0.5(H_(2)O)_(2)]2(1),[Cd(1,4-ndpaH_(2))(1,4-bib)0.5(H_(2)O)](2),[Cd(1,4-ndpaH3)2(1,2-dpe)(H_(2)O)]·(1,2-dpe)·7H_(2)O(3),(1,2-bixH)[Cd3(1,4-ndpaH)(1,4-ndpaH_(2))2(H_(2)O)_(2)](4),and[Cd(1,4-ndpaH_(2))(H_(2)O)]·H_(2)O(5),have been synthesized from the selfassembly reactions of 1,4-naphthalenediphosphonic acid(1,4-ndpaH4)with Cd(NO3)2·4H_(2)O by introducing auxiliary ligands with variation of rigidity,such as 4,4'-bipyridine(4,4'-bpy),1,4-bis(1-imidazolyl)benzene(1,4-bib),1,2-di(4-pyridyl)ethylene(1,2-dpe),1,3-di(4-pyridyl)propane(1,3-dpp),and bis(imidazol-1-ylmethyl)benzene(1,2-bix),respectively.Structure resolution by single-crystal X-ray diffraction reveals that compound 1 possesses a layered framework,in which the{Cd3(PO2)2}trimers made up of corner-sharing two{CdO4N2}and one{CdO6}octahedra are connected by phosphonate groups,forming a ribbon,which are cross-linked by 4,4'-bipy ligands,forming a 2D layer.Compound 2 shows a 3D open-framework structure,where chains of corner-sharing{CdO4N}trigonal bipyramids and{PO3C}tetrahedra are cross-linked by 1,4-bib and/or phosphonate groups.A 1D ladder-like chain structure is found in compound 3,where the ladder-like chains made up of corner-sharing{CdO5N}octahedra and{PO3C}tetra hedra are connected by 1,4-ndpaH_(2)^(2-).Both compounds 4 and 5 obtained by the introduction of flexible ligands during the synthesis show a 2D layered structure,which is formed by ligand crosslinking double metal chains.Interestingly,In 4,flexible 1,2-bix was singly protonated,as guest molecules,filled between layer and layer,while flexible ligand 1,3-dpp is absent in 5.Photophysical measurements indicate that compounds 1-5 show ligand-centered emissions. 展开更多
关键词 naphthalene diphosphate N-donor auxiliary ligands crystal structure RIGIDITY flexibility
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Emerging structures and dynamic mechanisms ofγ-secretase for Alzheimer’s disease
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作者 Yinglong Miao Michael S.Wolfe 《Neural Regeneration Research》 SCIE CAS 2025年第1期174-180,共7页
γ-Secretase,called“the proteasome of the membrane,”is a membrane-embedded protease complex that cleaves 150+peptide substrates with central roles in biology and medicine,including amyloid precursor protein and the ... γ-Secretase,called“the proteasome of the membrane,”is a membrane-embedded protease complex that cleaves 150+peptide substrates with central roles in biology and medicine,including amyloid precursor protein and the Notch family of cell-surface receptors.Mutations inγ-secretase and amyloid precursor protein lead to early-onset familial Alzheimer’s disease.γ-Secretase has thus served as a critical drug target for treating familial Alzheimer’s disease and the more common late-onset Alzheimer’s disease as well.However,critical gaps remain in understanding the mechanisms of processive proteolysis of substrates,the effects of familial Alzheimer’s disease mutations,and allosteric modulation of substrate cleavage byγ-secretase.In this review,we focus on recent studies of structural dynamic mechanisms ofγ-secretase.Different mechanisms,including the“Fit-Stay-Trim,”“Sliding-Unwinding,”and“Tilting-Unwinding,”have been proposed for substrate proteolysis of amyloid precursor protein byγ-secretase based on all-atom molecular dynamics simulations.While an incorrect registry of the Notch1 substrate was identified in the cryo-electron microscopy structure of Notch1-boundγ-secretase,molecular dynamics simulations on a resolved model of Notch1-boundγ-secretase that was reconstructed using the amyloid precursor protein-boundγ-secretase as a template successfully capturedγ-secretase activation for proper cleavages of both wildtype and mutant Notch,being consistent with biochemical experimental findings.The approach could be potentially applied to decipher the processing mechanisms of various substrates byγ-secretase.In addition,controversy over the effects of familial Alzheimer’s disease mutations,particularly the issue of whether they stabilize or destabilizeγ-secretase-substrate complexes,is discussed.Finally,an outlook is provided for future studies ofγ-secretase,including pathways of substrate binding and product release,effects of modulators on familial Alzheimer’s disease mutations of theγ-secretase-substrate complexes.Comprehensive understanding of the functional mechanisms ofγ-secretase will greatly facilitate the rational design of effective drug molecules for treating familial Alzheimer’s disease and perhaps Alzheimer’s disease in general. 展开更多
关键词 Alzheimer’s disease amyloid precursor protein cryo-EM structures drug design intramembrane proteolysis molecular dynamics NOTCH
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Designing Electronic Structures of Multiscale Helical Converters for Tailored Ultrabroad Electromagnetic Absorption
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作者 Zhaobo Feng Chongbo Liu +7 位作者 Xin Li Guangsheng Luo Naixin Zhai Ruizhe Hu Jing Lin Jinbin Peng Yuhui Peng Renchao Che 《Nano-Micro Letters》 SCIE EI CAS 2025年第1期439-455,共17页
Atomic-scale doping strategies and structure design play pivotal roles in tailoring the electronic structure and physicochemical property of electromagnetic wave absorption(EMWA)materials.However,the relationship betw... Atomic-scale doping strategies and structure design play pivotal roles in tailoring the electronic structure and physicochemical property of electromagnetic wave absorption(EMWA)materials.However,the relationship between configuration and electromagnetic(EM)loss mechanism has remained elusive.Herein,drawing inspiration from the DNA transcription process,we report the successful synthesis of novel in situ Mn/N co-doped helical carbon nanotubes with ultrabroad EMWA capability.Theoretical calculation and EM simulation confirm that the orbital coupling and spin polarization of the Mn–N4–C configuration,along with cross polarization generated by the helical structure,endow the helical converters with enhanced EM loss.As a result,HMC-8 demonstrates outstanding EMWA performance,achieving a minimum reflection loss of−63.13 dB at an ultralow thickness of 1.29 mm.Through precise tuning of the graphite domain size,HMC-7 achieves an effective absorption bandwidth(EAB)of 6.08 GHz at 2.02 mm thickness.Furthermore,constructing macroscale gradient metamaterials enables an ultrabroadband EAB of 12.16 GHz at a thickness of only 5.00 mm,with the maximum radar cross section reduction value reaching 36.4 dB m2.This innovative approach not only advances the understanding of metal–nonmetal co-doping but also realizes broadband EMWA,thus contributing to the development of EMWA mechanisms and applications. 展开更多
关键词 Metal-nonmetal co-doping 3d-2p orbital coupling Spin polarization Helical structure Broadband EM wave absorption
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New poly-types of LPSO structures in a non-equilibrium Mg_(97)Zn_(1)Y_(1.6)Ca_(0.4)alloy
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作者 Qian-qian Jin Zi-hui Tang +5 位作者 Wen-long Xiao Xiu-yu Qu Xu-hao Han Lin Mei Xiao-hong Shao Xiu-liang Ma 《China Foundry》 2025年第1期83-89,共7页
In this study,a comprehensive analysis of microstructural features,morphology,crystal structures,and interface structures of long-period stacking ordered(LPSO)structures in a non-equilibrium Mg_(97)Zn_(1)Y_(16)Ca_(0.4... In this study,a comprehensive analysis of microstructural features,morphology,crystal structures,and interface structures of long-period stacking ordered(LPSO)structures in a non-equilibrium Mg_(97)Zn_(1)Y_(16)Ca_(0.4)alloy cast in a steel mold was carried out.The addition of Ca element plays an important role in the refinement of LPSO structure.The result reveals new poly-types including 20H F2F2F4,60R(F2F3F3)_(3),and 66H F2F3F3F2(F6)_(4)featuring a 6-Mg structure,alongside the prevalent 18R and 14H LPSO structures.The incoherent interface between 20H and the Mg matrix is split into two dislocation arrays,leading to the formation of a segment of 60R_(1).Moreover,the superstructure 116L,designated as(F2)_(18)F4,is formed through the ordered distribution of F4 stacking faults in 18R. 展开更多
关键词 LPSO structures crystal structure Mg alloys heterogeneous interface
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Synthesis,structure,and magnetic property of a cobalt(Ⅱ)complex based on pyridyl⁃substituted imino nitroxide radical
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作者 WANG Xiaoling ZHANG Hongwu LIU Daofu 《无机化学学报》 北大核心 2025年第2期407-412,共6页
A new cobalt(Ⅱ)-radical complex:[Co(im4-py)_(2)(PNB)_(2)](im4-py=2-(4'-pyridyl)-4,4,5,5-tetramethylimidazole-1-oxyl,HPNB=p-nitrobenzoic acid)has been synthesized and characterized by X-ray diffraction analysis,el... A new cobalt(Ⅱ)-radical complex:[Co(im4-py)_(2)(PNB)_(2)](im4-py=2-(4'-pyridyl)-4,4,5,5-tetramethylimidazole-1-oxyl,HPNB=p-nitrobenzoic acid)has been synthesized and characterized by X-ray diffraction analysis,elemental analysis,IR,and magnetic properties.X-ray diffraction analysis shows that the complex exists as mononuclear molecules and Co(Ⅱ)ion is four-coordinated with two radicals and two PNB-ligands.The magnetic susceptibility study indicates the complex exhibits weak ferromagnetic interactions between cobalt(Ⅱ)and im4-py radical.The magnetic property is explained by the magnetic and structure exchange mechanism.CCDC:976028. 展开更多
关键词 Co(Ⅱ)complex imino nitroxide radical crystal structure magnetic property
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安德里茨TwinFlo Prime新型低浓双盘磨于P-RC APMP化机浆线上的应用
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作者 韩政军 李伟峰 +1 位作者 易太阳 郑辉龙 《中华纸业》 2025年第1期51-52,共2页
2023年,东莞建晖纸业有限公司在其P-RC APMP生产线上安装了安德里茨的TwinFlo Prime新型低浓双盘磨浆机(型号:TF42)。该低浓磨浆机是控制纸浆质量的关键设备,定子和转子之间间隙的控制决定了纸浆品质特性和最终纸浆的游离度。双盘磨浆... 2023年,东莞建晖纸业有限公司在其P-RC APMP生产线上安装了安德里茨的TwinFlo Prime新型低浓双盘磨浆机(型号:TF42)。该低浓磨浆机是控制纸浆质量的关键设备,定子和转子之间间隙的控制决定了纸浆品质特性和最终纸浆的游离度。双盘磨浆机的选择应根据最终产品、产能、原料、磨浆要求等,确定具体能耗、有效功率、有效边缘负载、剪切角度,从而选择磨浆机的数量、磨片类型和磨浆机尺寸。 展开更多
关键词 磨浆机 双盘磨 游离度 化机浆 APMP twin 有效功率 品质特性
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Synthesis and Properties of Biomimetic Self-Assembling Structures from Poultry Feather Keratin
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作者 Sara Mattiello Carlo Santulli 《Journal of Renewable Materials》 2025年第1期1-19,共19页
Taking a widely contaminated yet abundant waste,such as poultry feathers,and extracting keratin from this struc-ture appears to be a real challenge whenever the preservation of the secondary structure of the protein i... Taking a widely contaminated yet abundant waste,such as poultry feathers,and extracting keratin from this struc-ture appears to be a real challenge whenever the preservation of the secondary structure of the protein is desired.This process would allow exploiting it in ways(e.g.,in the biomedicalfield)that are inspired by a structure that is primarily designed forflight,therefore capable specifically of withstandingflexure and lateral buckling,also with very low thicknesses.The preservation of the structure is based on disulfide crosslinks,and it is offered with pre-ference by some chemical treatments,mainly those based on ionic liquid and on a reduction process.However,the degree of preservation cannot always be precisely assessed;however,beyond chemical characterization,the forma-tion of homogeneous gels can also suggest that the process was successful in this sense.An extraction respectful of nature’s intentions,considering that the secondary structure builds up according to the very function of the feath-ers in the animal,can be deemed to be biomimetic.In particular,biomimetic extractions comply with the very characteristics the protein was designed for to serve in the specific environmental and mechanical situation in which it is inserted.This review tries to elucidate in which cases this aim is achieved and for which specific appli-cations a chicken feather keratin that has preserved its secondary structure can be suited. 展开更多
关键词 Keratin extraction secondary structure SELF-ASSEMBLY chicken feathers
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