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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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Formation mechanism of deep natural hydrogen in the Sichuan Basin

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Science China Earth Sciences 2025年

作者： Xiaomei WANG Kun HE Chunlong YANG Hao XIE Xiaobo WANG Yitong LYU Linfeng XIE Shuichang ZHANG research Institute of Petroleum Exploration & Development PetroChina Key Laboratory of Petroleum Geochemistry China National Petroleum Corporation International center for Isotope Effects research School of Earth Science and Engineering Nanjing University

As a potential renewable and clean energy source,the distribution and exploration prospects of natural hydrogen have garnered widespread ***,the limitations in understanding the formation mechanisms and accumulation patterns of underground natural hydrogen have significantly constrained its efficient exploration and *** study reports H2content and isotopes in natural gas from deep formations in sedimentary basins through geochemical analysis of 58 conventional gas samples from the Sinian to Triassic strata in the central Sichuan *** discovered that H2content in deep natural gas in central Sichuan generally exceeds 0.1%,with a maximum of 1.6%,and hydrogen isotopes (δ2HH2) range from-850‰to-586‰.Analysis of the geological conditions,hydrogen generation mechanisms,and isotope fractionation characteristics in the study area confirms that microbial fermentation or in-situ organic matter cracking are not effective pathways for deep *** with helium content and isotope analysis of the natural gas,it is inferred that the volcanic basement in the central Sichuan area is the potential source rock for natural H2in the Sinian to Triassic ***,H2originates from the radiolysis of water and hydrothermal reactions of Fe（II） in the basement ***,a diffusion fractionation model reveals significant isotope fractionation during the migration and accumulation of deep H2into sedimentary reservoirs,which lead to anomalously light δ2HH2in deep natural gas in central *** indicates that the underground natural hydrogen accumulation is in a long-term dynamic process,with simultaneous H2accumulation and dissipation in the gas *** research not only elucidates the formation mechanism of deep H2but also provides insights for the resource potential of natural hydrogen in sedimentary basins.

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A robust statistical prediction model for late-summer heavy precipitation days in North China

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Science China Earth Sciences 2025年第1期68卷 158-171页

作者： Shunli JIANG Tingting HAN Xin ZHOU Huijun WANG Zhicong YIN Xiaolei SONG Collaborative Innovation center on Forecast and Evaluation of Meteorological Disasters/Key Laboratory of Meteorological Disaster Ministry of Education Nanjing University for Information Science and Technology Nansen-Zhu International research Centre Institute of Atmospheric Physics Chinese Academy of Sciences Southern Marine Science and engineering Guangdong Laboratory (Zhuhai)

Recently, heavy precipitation(HP) events have occurred frequently in North China(NC), causing devastating economic losses and human fatalities. However, the short-term climate prediction of HP is quite limited. Combining year-to-year increment(DY) method and sliding correlations, we developed a robust seasonal prediction model for late-summer HP days(HPDs) in NC during 1982–2022, utilizing three independent predictors—February sea surface temperature(SST) in the Indian Ocean(SST＿IO), February snow depth over North Asia(SDE＿NA), and May melted snow depth in NC(MSDE＿NC). The SST＿IO anomalies affect NC's precipitation through the Pacific-Japan pattern. The SDE＿NA anomalies are associated with East Asian anomalous anticyclone by southeastern propagation of Rossby wave at Eurasia. The MSDE＿NC anomalies are followed by vertical motion and moisture anomalies in situ and thereby cause precipitation anomalies. This prediction model can well simulate the variations of the HPDs, with a correlation coefficient(CC) of 0.81(0.65) between the observed and predicted HPDs＿DY(HPDs＿anomaly). The percentage with the same sign for 15 extreme HPDs＿anomaly years(PSSE) is 100%.Moreover, in the cross-validation test during 1982–2022, the PSSE for HPDs＿anomaly is as high as 100%, along with a low rootmean-square error of 1.14. For independent hindcasts during 2013–2022, the CC between the observed and predicted HPDs＿DY(HPDs＿anomaly) is 0.93(0.83), together with high Nash-Sutcliffe efficiency(0.82) and agreement index(0.89). Specifically, the predictions are broadly consistent with the observations for 2015, 2016, 2017, 2021, and 2022, reflecting excellent performance of this prediction model of HPDs in NC.

关键词： Heavy precipitation at North China Year-to-year increment approach Robust seasonal prediction Sea surface temperature Snow depth

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Revealing and predicting the long-term biomechanical response of orthokeratology by developing a patient-specific computational model

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 156-168页

作者： Yifeng Li Zhuoran Yang Ziming Yan Huibin Shi Zhanli Liu Kaijie Wang Department of engineering Mechanics School of Aerospace Engineering Tsinghua University Beijing Tongren Eye center Beijing Tongren Hospital Capital Medical University Beijing Ophthalmology & Visual Sciences Key Lab

Orthokeratology(OK) is widely used for effective myopia correction and control. However, the incomplete understanding of its biomechanical mechanisms makes OK lens fitting rely heavily on clinician judgment, complicating accurate predictions of treatment outcomes. In this paper, we performed clinical experiments and numerical analysis to study corneal deformation modes and long-term changes in central corneal thickness. Clinical experiments were conducted on 194 Chinese myopic patients under OK treatment for 3 months. Based on the experimental data, a patient-specific computational biomechanical model for OK was established and validated. Specifically, the anisotropic mechanical properties of the cornea were incorporated into the model to describe the significant difference between its shear modulus(29.5 kPa) and tensile modulus(768.4 kPa). Additionally, a viscohyperelastic material model with a prolonged corneal relaxation time of 5.6 h was developed to capture the long-term deformation response. The results show that corneal thickness reduction in OK is primarily due to out-of-plane shear deformation,influenced by the cornea's low shear resistance. Modeling the extended corneal relaxation time is crucial for predicting long-term biomechanical responses. The computational model effectively captures long-term changes in central corneal thickness, potentially improving OK lens fitting accuracy.

关键词： orthokeratology computational biomechanical model long-term viscoelasticity myopia correction

Market Drivers in India’s Smart Grid:Responsibilities and Roles of Stakeholders

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Energy engineering 2025年第1期122卷 101-128页

作者： Abhay Sanatan Satapathy Suresh Kumar Sahoo Asit Mohanty Yasser Fouad Manzoore ElahiMohammad Soudagar Erdem Cuce Faculty of Management Studies Sri Sri UniversityCuttack754006India Institute of Power engineering National Energy UniversityJalan Ikram-UnitenKajangSelangor43000Malaysia Centre of research Impact and Outcome Chitkara UniversityRajpura140417PunjabIndia Department of Applied Mechanical engineering College of Applied EngineeringMuzahimiyah BranchKing Saud UniversityRiyadh11421Saudi Arabia College of engineering Lishui UniversityLishui323000China Department of Mechanical engineering Graphic Era(Deemed to be University)Dehradun248002UttarakhandIndia Department of Mechanical engineering Faculty of EngineeringUniversity of MalayaKuala Lumpur50603Malaysia Department of Mechanical engineering Faculty of Engineering and ArchitectureRecep Tayyip Erdogan UniversityZihni Derin CampusRize53100Turkey center for research Impact&Outcome Chitkara UniversityRajpura140401PunjabIndia University Centre for research and Development Chandigarh UniversityMohali140413PunjabIndia

The emergence of smart grids in India is propelled by an intricate interaction of market dynamics,regulatory structures,and stakeholder *** study analyzes the primary factors that are driving the widespread use of smart grid technologies and outlines the specific roles and obligations of different stakeholders,such as government entities,utility companies,technology suppliers,and *** activities and regulations are crucial in facilitating the implementation of smart grid technology by offering financial incentives,regulatory assistance,and strategic *** firms have the responsibility of implementing and integrating smart grid infrastructure,with an emphasis on improving the dependability of the grid,minimizing losses in transmission and distribution,and integrating renewable energy *** companies offer the essential hardware and software solutions,which stimulate creativity and enhance *** actively engage in the energy ecosystem by participating in demand response,implementing energy saving measures,and adopting distributed energy resources like solar panels and electric *** study examines the difficulties and possibilities in India’s smart grid industry,highlighting the importance of cooperation among stakeholders to build a strong,effective,and environmentally friendly energy future.

关键词： Smart grid stakeholders smart grid technology market drivers

Unraveling the origins of PGY-sRNA-6,BZL-sRNA-20,and XKC-sRNA-h3

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Science China Life Sciences 2025年

作者： Shanfa Lu State Key Laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs Institute of Medicinal Plant DevelopmentChinese Academy of Medical Sciences&Peking Union Medical College engineering research center of Chinese medicine Resource Ministry of Education

Dear Editor,The regulatory role of herbal sRNAs in humans and animals is an interesting research ***,current evidence is insufficient to conclude that herbal sRNAs are novel precision medicines.I previously showed that HJT-sRNA-m1-HJT-sRNA-m8,identified as herbal sRNAs previously (Du et al.,2019),may be derived from humans and/or animals(Lu,2023).To minimize errors during herbal sRNA analysis,I provided a list of matters needing special attention and proposed problem-solving solutions for researchers working on sRNA cross-kingdom regulation (Lu,2023).

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Preparation of FeCoNi medium entropy alloy from Fe^(3+)-Co^(2+)-Ni^(2+)solution system

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 92-101页

作者： Zongyou Cheng Qing Zhao Mengjie Tao Jijun Du Xingxi Huang Chengjun Liu Key Laboratory for Ecological Metallurgy of Multimetallic Mineral(Ministry of Education) Northeastern UniversityShenyang 110819China School of Metallurgy Northeastern UniversityShenyang 110819China engineering research center of Frontier Technologies for Low-carbon Steelmaking(Ministry of Education) Shenyang 110819China

In recent years,medium entropy alloys have become a research hotspot due to their excellent physical and chemical *** controlling reasonable elemental composition and processing parameters,the medium entropy alloys can exhibit similar properties to high entropy alloys and have lower *** this paper,a FeCoNi medium entropy alloy precursor was prepared via sol-gel and coprecipitation methods,respectively,and FeCoNi medium entropy alloys were prepared by carbothermal and hydrogen *** phases and magnetic properties of FeCoNi medium entropy alloy were *** showed that FeCoNi medium entropy alloy was produced by carbothermal and hydrogen reduction at 1500℃.Some carbon was detected in the FeCoNi medium entropy alloy prepared by carbothermal *** alloy prepared by hydrogen reduction was uniform and showed a relatively high ***,the hydrogen reduction product exhibited better saturation magnetization and lower coercivity.

关键词： medium entropy alloy sol-gel co-precipitation carbothermal hydrogen reduction

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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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AZD1775 synergizes with SLC7A11 inhibition to promote ferroptosis

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Science China Life Sciences 2025年第1期68卷 204-218页

作者： Chen Xiong Hong Ling Yingdan Huang Hanzhi Dong Bangxiang Xie Qian Hao Xiang Zhou Fudan University Shanghai Cancer center and Institutes of Biomedical Sciences Fudan University Department of Oncology Shanghai Medical CollegeFudan University Department of Breast Surgery Fudan University Shanghai Cancer CenterFudan University Department of Oncology First Affiliated Hospital of Nanchang University Beijing Institute of Hepatology Beijing Youan HospitalCapital Medical University Beijing engineering research center for Precision medicine and Transformation of Hepatitis and Liver Cancer Key Laboratory of Breast Cancer in Shanghai Fudan University Shanghai Cancer CenterFudan University Shanghai Key Laboratory of Medical Epigenetics International Co-laboratory of Medical Epigenetics and Metabolism (Ministry of Science and Technology)Institutes of Biomedical SciencesFudan University

Tumor suppressor p53-mediated cell cycle arrest and DNA damage repair may exert cytoprotective effects against cancer therapies, including WEE1 inhibition. Considering that p53 activation can also lead to multiple types of cell death, the role of this tumor suppressor in WEE1 inhibitor-based therapies remains disputed. In this study, we reported that nucleolar stress-mediated p53 activation enhanced the WEE1 inhibitor AZD1775-induced ferroptosis to suppress lung cancer growth. Our findings showed that AZD1775 promoted ferroptosis by blocking cystine uptake, an action similar to that of Erastin. Meanwhile, inhibition of WEE1 by the WEE1 inhibitors or si RNAs induced compensatory upregulation of SLC7A11, which conferred resistance to ferroptosis. Mechanistically, AZD1775 prevented the enrichment of H3K9me3, a histone marker of transcriptional repression, on the SLC7A11 promoter by repressing the expression of the histone methyltransferase SETDB1, thereby enhancing NRF2-mediated SLC7A11 transcription. This finding was also validated using the H3K9me3 inhibitor BRD4770. Remarkably, we found that the nucleolar stress-inducing agent Actinomycin D(Act. D) inhibited SLC7A11 expression by activating p53, thus augmenting AZD1775-induced ferroptosis. Moreover, the combination of AZD1775 and Act. D synergistically suppressed wild-type p53-harboring lung cancer cell growth both in vitro and in vivo. Altogether, our study demonstrates that AZD1775 promotes ferroptosis by targeting cystine uptake but also mediates the adaptive activation of SLC7A11 through the WEE1-SETDB1 cascade and NRF2-induced transcription, and inhibition of SLC7A11 by Act. D boosts the anti-tumor efficacy of AZD1775 by enhancing ferroptosis in cancers with wild-type p53.

关键词： p53 NRF2 SLC7A11 WEE1 AZD1775 ferroptosis nucleolar stress