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Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： Jia Zhao Taixi Feng guimin lu National Engineering Research Center for Integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint International Laboratory for Potassium and Lithium Strategic Resources East China University of Science and TechnologyShanghai 200237China

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.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation

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Dynamical complexity of Anosov systems driven by a quasi-periodic force

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Science China Mathematics 2025年第1期 89-136页

作者： Wen Huang Zeng Lian Kening lu Department of Mathematics University of Science and Technology of China School of Mathematics Sichuan University

Consider C2Anosov systems on a compact manifold driven by a quasi-periodic *** study their dynamical complexity on various levels from the perspectives of both path-wise dynamics and stochastic *** that these systems are non-wandering（i.e.,every point in the phase space is nonwandering）,we prove a set of results:（1） the existence of abundance of random periodic points;（2） a random Liv?ic theorem;（3） a random Ma?é-Bousch-Conze-guivarc'h lemma;（4） the existence of strong random ***,a concrete example constructed on a 2-dimensional torus is also given to uncover some interesting phenomena of the systems.

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Ru doping triggering reconstruction of cobalt phosphide for coupling glycerol electrooxidation with seawater electrolysis

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Journal of Energy Chemistry 2025年第1期100卷 317-326页

作者： Binglu Deng Jie Shen Jinxing lu Chuqiang Huang Zhuoyuan Chen Feng Peng Yunpeng Liu School of Materials Science and Hydrogen Energy Foshan University School of Chemistry and Chemical Engineering Guangzhou University guangdong Key Laboratory for Hydrogen Energy Technologies

Seawater electrolysis is a promising approach for sustainable energy without relying on precious ***,the large-scale seawater electrolysis is hindered by low catalytic efficiency and severe anode corrosion caused by the harmful *** contrast to the oxygen evolution reaction （OER）and chlorin ion oxidation reaction （ClOR）,glycerol oxidation reaction （gOR） is more thermodynamically and kinetically favorable ***,a Ru doping cobalt phosphide （Ru-CoP2） is proposed as a robust bifunctional electrocatalyst for seawater electrolysis and gOR,for the concurrent productions of hydrogen and value-added *** in situ and ex situ characterization analyses demonstrated that Ru doping featured in the dynamic reconstruction process from Ru-CoP2to Ru-CoOOH,accounting for the superior gOR *** coupling gOR with hydrogen evolution was realized by employing Ru-CoP2as both anode and cathode,requiring only a low voltage of 1.43 V at 100 mA cm-2,which was 250 m V lower than that in alkaline *** work guides the design of bifunctional electrocatalysts for energy-efficient seawater electrolysis coupled with biomass resource upcycling.

关键词： glycerol electrooxidation Hydrogen evolution Ru doping Cobalt phosphide Bifunctional electrocatalysts

A quantum-search-based multi-classifier for image recognition

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 21-31页

作者： lu Liu Xingyu Wu lufan Zhang Chuan Wang School of Artificial Intelligence Beijing Normal University Applied Optics Beijing Area Major Laboratory Beijing Normal University

The multi-class classification of images is a pivotal challenge within the realm of image processing. As the volume of visual data continues to expand, there is a burgeoning interest in harnessing the unique capabilities of quantum computation to augment the efficiency of classification tasks. However, many existing methods for training quantum image multi-classifiers parallel classical machine learning techniques, where the requisite circuit measurements increase linearly with the volume of training data. This work introduces a novel approach for training a quantum image multi-classifier based on the quantum search algorithm. We have meticulously conducted rigorous experiments on a handwritten digit dataset, a classic benchmark in the field. The results have been meticulously compared with previous works, and the comparative analysis not only validates the efficiency of our proposed approach, requiring only O(N/b) measurements during training, but also highlights a significant quadratic speedup of the algorithm.

关键词： quantum computation image recognition quantum search algorithm

Nanocarrier-mediated siRNA delivery:a new approach for the treatment of traumatic brain injury-related Alzheimer's disease

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Neural Regeneration Research 2025年第9期20卷 2538-2555页

作者： Jie Jin Huajing Zhang Qianying lu Linqiang Tian Sanqiao Yao Feng Lai Yangfan Liang Chuanchuan Liu Yujia lu Sijia Tian Yanmei Zhao Wenjie Ren Institute of Disaster and Emergency Medicine Tianjin UniversityTianjinChina Key Laboratory for Disaster Medicine Technology TianjinChina Henan Medical Key Laboratory for Research of Trauma and Orthopedics The Third Affiliated Hospital of Xinxiang Medical UniversityXinxiangHenan ProvinceChina Clinical Medical Center of Tissue Engineering and Regeneration Xinxiang Medical UniversityXinxiangHenan ProvinceChina Institutes of Health Central Plain Xinxiang Medical UniversityXinxiangHenan ProvinceChina School of Public Health Xinxiang Medical UniversityXinxiangHenan ProvinceChina

Traumatic brain injury and Alzheimer's disease share pathological similarities,including neuronal loss,amyloid-βdeposition,tau hyperphosphorylation,blood-brain barrier dysfunction,neuroinflammation,and cognitive ***,traumatic brain injury can exacerbate Alzheimer's disease-like pathologies,potentially leading to the development of Alzheimer's *** offer a potential solution by facilitating the delive ry of small interfering RNAs across the blood-brain barrier for the targeted silencing of key pathological genes implicated in traumatic brain injury and Alzheimer's disease.U nlike traditional approaches to neuro regeneration,this is a molecula r-targeted strategy,thus avoiding non-specific drug *** review focuses on the use of nanocarrier systems for the efficient and precise delive ry of siRNAs,discussing the advantages,challenges,and future *** principle,siRNAs have the potential to target all genes and non-targetable protein s,holding significant promise for treating various *** the various therapeutic approaches currently available for neurological diseases,siRNA gene silencing can precisely"turn off"the expression of any gene at the genetic level,thus radically inhibiting disease progression;however,a significant challenge lies in delivering siRNAs across the blood-brain *** have received increasing attention as an innovative drug delive ry tool fo r the treatment of brain *** are considered a potential therapeutic strategy with the advantages of being able to cross the blood-brain barrier,targeted drug delivery,enhanced drug stability,and multifunctional *** use of nanoparticles to deliver specific modified siRNAs to the injured brain is gradually being recognized as a feasible and effective *** this strategy is still in the preclinical exploration stage,it is expected to achieve clinical translation in the future,creating a new field of molecular tar

关键词： blood-brain barrier cognitive dysfunction exosomes gene silencing immunotherapy inorganic nanomaterials liposome nanoparticles neuroinflammation polymer nanoparticles stem cells

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Identifying the dynamic behaviors in complete reconstruction of Co-based complex precatalysts during electrocatalytic oxygen evolution

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Journal of Energy Chemistry 2025年第1期100卷 226-233页

作者： Jingfang Zhang Danyang Wu Linke Cai Youluan lu Fanpeng Cheng Lijuan Shi Qun Yi Yao Liu Yi Huang Key Laboratory of green Chemical Engineering Process of Ministry of Education Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education Hubei Key Laboratory of Novel Reactor and Green Chemical Technology School of Chemical Engineering & Pharmacy Wuhan Institute of Technology Key Laboratory of Pesticide & Chemical Biology of Ministry of Education Engineering Research Center of Photoenergy Utilization for Pollution Control and Carbon Reduction of Ministry of Education College of Chemistry Central China Normal University College of Materials Science and Engineering Fuzhou University

Transition metal-based nanomaterials have emerged as promising electrocatalysts for oxygen evolution reaction（OER）. Considerable research efforts have shown that self-reconstruction occurs on these nanomaterials under operating conditions of OER process. However, most of them undergo incomplete reconstruction with limited thickness of reconstruction layer, leading to low component utilization and arduous exploration of real catalytic mechanism. Herein, we identify the dynamic behaviors in complete reconstruction of Co-based complexes during OER. The hollow phytic acid（PA） cross-linked CoFe-based complex nanoboxes with porous nanowalls are designed because of their good electrolyte penetration and mass transport ability, in favor of the fast and complete reconstruction. A series of experiment characterizations demonstrate that the reconstruction process includes the fast substitution of PA by OH-to form Co（Fe）(OH)xand subsequent potential-driven oxidation to Co（Fe）OOH. The obtained CoFeOOH delivers a low overpotential of 290 mV at a current density of 10 mA cm-2and a long-term *** experiment results together with theory calculations reveal that the Fe incorporation can result in the electron rearrangement of reconstructed CoFeOOH and optimization of their electronic structure,accounting for the enhanced OER activity. The work provides new insights into complete reconstruction of metal-based complexes during OER and offers guidelines for rational design of high-performance electrocatalysts.

关键词： Complete reconstruction Co-based complex Precatalysts Oxygen evolution reaction

A Novel Self-Supervised Learning Network for Binocular Disparity Estimation

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 209-229页

作者： Jiawei Tian Yu Zhou Xiaobing Chen Salman A.AlQahtani Hongrong Chen Bo Yang Siyu lu Wenfeng Zheng Department of Computer Science and Engineering Major in Bio Artificial IntelligenceHanyang UniversityAnsan-si15577Republic of Korea School of Electrical and Computer Engineering Louisiana State UniversityBaton RougeLA 70803USA Department of Computer Engineering College of Computer and Information SciencesKing Saud UniversityRiyadh11574Saudi Arabia School of Automation University of Electronic Science and Technology of ChinaChengdu610054China

Two-dimensional endoscopic images are susceptible to interferences such as specular reflections and monotonous texture illumination,hindering accurate three-dimensional lesion reconstruction by surgical *** study proposes a novel end-to-end disparity estimation model to address these *** approach combines a Pseudo-Siamese neural network architecture with pyramid dilated convolutions,integrating multi-scale image information to enhance robustness against lighting *** study introduces a Pseudo-Siamese structure-based disparity regression model that simplifies left-right image comparison,improving accuracy and *** model was evaluated using a dataset of stereo endoscopic videos captured by the Da Vinci surgical robot,comprising simulated silicone heart sequences and real heart video *** results demonstrate significant improvement in the network’s resistance to lighting interference without substantially increasing ***,the model exhibited faster convergence during training,contributing to overall performance *** study advances endoscopic image processing accuracy and has potential implications for surgical robot applications in complex environments.

关键词： Parallax estimation parallax regression model self-supervised learning Pseudo-Siamese neural network pyramid dilated convolution binocular disparity estimation

Storage time affects the level and diagnostic efficacy of plasma biomarkers for neurodegenerative diseases

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Neural Regeneration Research 2025年第8期20卷 2373-2381页

作者： Lifang Zhao Mingkai Zhang Qimeng Li Xuemin Wang Jie lu Ying Han Yanning Cai Department of Clinical Biobank Xuanwu HospitalCapital Medical UniversityBeijingChina Beijing geriatric Medical Research Center BeijingChina Department of Neurology Xuanwu HospitalCapital Medical UniversityBeijingChina Department of Radiology and Nuclear Medicine Xuanwu HospitalCapital Medical UniversityBeijingChina Beijing Key Laboratory of Magnetic Resonance Imaging and Brain Informatics BeijingChina Key Laboratory of Neurodegenerative diseases Ministry of EducationBeijingChina School of Biomedical Engineering Hainan UniversityHaikouHainan ProvinceChina Center of Alzheimer’s Disease Beijing Institute for Brain DisordersBeijingChina National Clinical Research Center for geriatric Diseases BeijingChina Institute of Biomedical Engineering Shenzhen Bay LaboratoryGaoke Innovation CenterShenzhenGuangdong ProvinceChina Department of Neurobiology Xuanwu HospitalCapital Medical UniversityBeijingChina

Several promising plasma biomarker proteins,such as amyloid-β(Aβ),tau,neurofilament light chain,and glial fibrillary acidic protein,are widely used for the diagnosis of neurodegenerative ***,little is known about the long-term stability of these biomarker proteins in plasma samples stored at-80°*** aimed to explore how storage time would affect the diagnostic accuracy of these biomarkers using a large *** samples from 229 cognitively unimpaired individuals,encompassing healthy controls and those experiencing subjective cognitive decline,as well as 99 patients with cognitive impairment,comprising those with mild cognitive impairment and dementia,were acquired from the Sino Longitudinal Study on Cognitive Decline *** samples were stored at-80°C for up to 6 years before being used in this *** results showed that plasma levels of Aβ42,Aβ40,neurofilament light chain,and glial fibrillary acidic protein were not significantly correlated with sample storage ***,the level of total tau showed a negative correlation with sample storage ***,in individuals without cognitive impairment,plasma levels of total protein and tau phosphorylated protein threonine 181(p-tau181)also showed a negative correlation with sample storage *** was not observed in individuals with cognitive ***,we speculate that the diagnostic accuracy of plasma p-tau181 and the p-tau181 to total tau ratio may be influenced by sample storage ***,caution is advised when using these plasma biomarkers for the identification of neurodegenerative diseases,such as Alzheimer's ***,in cohort studies,it is important to consider the impact of storage time on the overall results.

关键词： Alzheimer’s disease amyloid-β diagnostic ability glial fibrillary acidic protein neurodegeneration neurofilament light chain plasma biomarkers single molecule array storage time tau

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Recent Strategies and Advances in Hydrogel-Based Delivery Platforms for Bone Regeneration

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NANO-MICRO LETTERS 2025年第1期17卷 1-51页

作者： Wang, Xiao Zeng, Jia gan, Donglin Ling, Kun He, Mingfang Li, Jianshu lu, Yongping guangyuan Cent Hosp Sci & Technol Innovat Ctr Biomed Mat & Clin Res Guangyuan Key Lab Multifunct Med Hydrogel Guangyuan 628000 Peoples R China Nanjing Normal Univ Jiangsu Collaborat Innovat Ctr Biomed Funct Mat Sch Chem & Mat Sci Jiangsu Key Lab Biofunct Mat Nanjing 210023 Peoples R China Sichuan Univ Coll Polymer Sci & Engn State Key Lab Polymer Mat Engn Chengdu 610065 Peoples R China

Recent advances in the combined delivery platform that integrate nano-/microscale carriers and with 3D hydrogel network for bone regeneration are *** strategies for bioactive molecules delivery involving nanoparticles, nanosheets, and microspheres, along with extra stimuli such as near-infrared light, temperature changes, ultrasonication, and inflammatory conditions, are *** prospects and challenges for the clinical translation and the development of nano-/microscale incorporated hydrogel-based delivery platform are discussed. Bioactive molecules have shown great promise for effectively regulating various bone formation processes, rendering them attractive therapeutics for bone regeneration. However, the widespread application of bioactive molecules is limited by their low accumulation and short half-lives in vivo. Hydrogels have emerged as ideal carriers to address these challenges, offering the potential to prolong retention times at lesion sites, extend half-lives in vivo and mitigate side effects, avoid burst release, and promote adsorption under physiological conditions. This review systematically summarizes the recent advances in the development of bioactive molecule-loaded hydrogels for bone regeneration, encompassing applications in cranial defect repair, femoral defect repair, periodontal bone regeneration, and bone regeneration with underlying diseases. Additionally, this review discusses the current strategies aimed at improving the release profiles of bioactive molecules through stimuli-responsive delivery, carrier-assisted delivery, and sequential delivery. Finally, this review elucidates the existing challenges and future directions of hydrogel encapsulated bioactive molecules in the field of bone regeneration.

关键词： Hydrogel Bone regeneration Bioactive molecules Drug delivery Nano-/microscale carriers