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Journal of Energy Chemistry 2025年第1期100卷 509-521页

作者： Xinyuan Wang Fan Zhang Xingyu Zhou Qian Wang Changyu liu y.ngy.ng liu hui Wang Xiaojie liu Key Laboratory of Synthetic and natural Functional Molecule of the Ministry of Education College of Chemistry & Materials Science Northwest University

na3V2（PO4）2O2F （VP） is recognized as a promising cathode material for sodium-ion batteries due to its stable structural framework and high specific *** functional theory （DFT） and finite element simulations show that incorporating SO42-into VP decreases its band gap,lowers the migration energy barrier,and ensures a uniform na+concentration gradient and stress distribution during charge and discharge ***,the average na+diffusion coefficient of na3V2（PO4）1.95（SO4）0.05O2F（VPS-1） is roughly double that of VP,leading to enhanced rate capability (80 C,75.5 mAh g-1) and cycling stability (111.0 mAh g-1capacity after 1000 cycles at 10 C current density) for ***-1 exhibits outstanding fast-charging capabilities,achieving an 80%state of charge in just 8.1 *** assembled VPS-1//SbSn/nPC full cell demonstrated stable cycling over 200 cycles at a high 5 C current,maintaining an average coulombic efficiency of 95.35%.

关键词： Anionic group modulation Polarization behavior Fast-charging Sodium-ion battery Fluorophosphate Cathode

RF Optimizer Model for Predicting Compressive Strength of Recycled Concrete

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 215-223页

作者： liu Lin WAnG liuy.n WAnG hui SUn Huayue School of Civil Engineering and Architecture Shenyang UniversityShenyang 110000China

Traditional machine learning(ML)encounters the challenge of parameter adjustment when predicting the compressive strength of reclaimed *** address this issue,we introduce two optimized hybrid models:the Bayesian optimization model(B-RF)and the optimal model(Stacking model).These models are applied to a data set comprising 438 observations with five input variables,with the aim of predicting the compressive strength of reclaimed ***,we evaluate the performance of the optimized models in comparison to traditional machine learning models,such as support vector regression(SVR),decision tree(DT),and random forest(RF).The results reveal that the Stacking model exhibits superior predictive performance,with evaluation indices including R2=0.825,MAE=2.818 and MSE=14.265,surpassing the traditional ***,we also performed a characteristic importance analysis on the input variables,and we concluded that cement had the greatest influence on the compressive strength of reclaimed concrete,followed by ***,the Stacking model can be recommended as a compressive strength prediction tool to partially replace laboratory compressive strength testing,resulting in time and cost savings.

关键词： machine learning recycled concrete compressive strength

Unraveling brain aging through the lens of oral microbiota

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neural Regeneration Research 2025年第7期20卷 1930-1943页

作者： Qinchao Hu Si Wang Weiqi Zhang Jing Qu Guang-hui liu State Key Laboratory of Membrane Biology Institute of ZoologyChinese Academy of SciencesBeijingChina Hospital of Stomatology Guanghua School of StomatologyGuangdong Provincial Key Laboratory of StomatologySun Yat-sen UniversityGuangzhouGuangdong ProvinceChina Advanced Innovation Center for Human Brain Protection and national Clinical Research Center for Geriatric Disorders Xuanwu HospitalCapital Medical UniversityBeijingChina Aging Translational Medicine Center International Center for Aging and CancerBeijing Municipal Geriatric Medical Research CenterXuanwu HospitalCapital Medical UniversityBeijingChina CAS Key Laboratory of Genomic and Precision Medicine Beijing Institute of GenomicsChinese Academy of Sciences and China National Center for BioinformationBeijingChina University of Chinese Academy of Sciences BeijingChina Institute for Stem Cell and Regeneration Chinese Academy of SciencesBeijingChina Aging Biomarker Consortium BeijingChina State Key Laboratory of Stem Cell and Reproductive Biology Institute of ZoologyChinese Academy of SciencesBeijingChina Beijing Institute for Stem Cell and Regenerative Medicine BeijingChina

The oral cavity is a complex physiological community encompassing a wide range of *** of oral microbiota can lead to various oral infectious diseases,such as periodontitis and tooth decay,and even affect systemic health,including brain aging and neurodegenerative *** studies have highlighted how oral microbes might be involved in brain aging and neurodegeneration,indicating potential avenues for intervention *** this review,we summarize clinical evidence demonstrating a link between oral microbes/oral infectious diseases and brain aging/neurodegenerative diseases,and dissect potential mechanisms by which oral microbes contribute to brain aging and *** also highlight advances in therapeutic development grounded in the realm of oral microbes,with the goal of advancing brain health and promoting healthy aging.

关键词： Alzheimer's disease brain aging multiple sclerosis neurodegeneration neurodegenerative diseases oral microbiota Parkinson's disease periodontitis bacteria Porphyromonas gingivalis

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Facile synthesis of the dodecahydridododecaborate (B12H122-) from borane Lewis base adducts

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Science China Chemistry 2025年

作者： yi Jing Xin-Ran liu Xing-Hua Wang hui Han Sha-Sha Liang Xi-Meng Chen Dong-hui Wei Lai-Sheng Wang Xue-nian Chen College of Chemistry Zhengzhou University School of Chemistry and Chemical Engineering Henan Key Laboratory of Boron Chemistry and Advanced MaterialsHenan Normal University Department of Chemistry Brown University

Polyhedral boranes are a class of well-known boron molecular clusters widely used in energy,chemistry,medicine,and materials science because of their unique physical and chemical *** efforts have been made in the past decades to find more effective synthetic methods for this important class of boron ***,existing synthetic methods suffer from low efficiency and low ***,we report a facile one-pot synthesis of[（CH3）3S]2B12H12with moderate yields at mild *** mechanisms for the multi-step chemoselective synthesis of B12H122-without other by-products are elucidated based on theoretical results and our previous *** Lewis base used in B–H bond condensation reaction,which acts as a hydrogen or to balance the newly generated polyhedral borane charges,is proposed and studied in *** current study has led to a more effective and selective synthetic method for B12H122-and has also implicated the syntheses of other new polyhedral boranes.

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A general stabilizing strategy based on vitamin C for n-type organic semiconductors

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Science China Materials 2025年第01期 303-304页

作者： hui Huang College of Materials Science and Opto-Electronic Technology Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences

Organic semiconductors (OSCs), as an emerging next-generation semiconductor material, hold promising prospects in fields such as flexible displays, electronic skins, smart healthcare,and the Internet of Things, due to their excellent flexibility,solution processability, and tunable band structures [1,2]. These molecules are often classified into n-type and p-type, depending on whether the prevalent charge carriers are electrons or holes[3].

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Rational design of lipid-activatable nIR-II probes for precisely imaging atherosclerotic plaque

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Science China Chemistry 2025年

作者： Xinyu Xu yuan Ma hui Cao Li Xu Haoming Chen Sulai liu Wei Sun Guosheng Song Xiaobing Zhang State Key Laboratory for Chemo/Bio-Sensing and Chemometrics College of Chemistry and Chemical EngineeringHunan University Department of Hepatobiliary Surgery/Central Laboratory Hunan Provincial People's Hospital (The First Affiliated Hospital of Hunan Normal University) Department of Cardiology the First Affiliated Hospital of Nanjing Medical University Key Laboratory of Targeted Intervention of Cardiovascular Disease Collaborative Innovation Center for Cardiovascular Disease Translational MedicineNanjing Medical University Shenzhen Research Institute of Hunan University

Atherosclerosis(AS) is a prevalent condition associated with cardiovascular and cerebrovascular diseases, featuring lipid-laden plaque; however, the insufficient resolution and low sensitivity of traditional medical imaging techniques limit their application in lipid imaging. Currently, the second near-infrared(nIR-II) fluorescence imaging offers promising sensitivity and convenience. However, existing probes have limitations in terms of signal-to-background ratio, penetration depth, and tissue scattering. Herein, we use a molecular regulatory strategy to design a lipid-activatable probe Rh-965 with high specificity and nIR-II emission for improved imaging potential in deep tissues. The potential of Rh-965 for imaging plaque lipids in mice with AS is demonstrated by localizing carotid artery plaques using nIR-II imaging. The development of more stable lipid-activated nIR-II probes can significantly enhance atherosclerosis diagnosis and facilitate in vivo imaging in deeper tissues.

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Peficitinib suppresses diffuse-type tenosynovial giant cell tumor by targeting TyK2 and JAK/STAT signaling

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Science China Life Sciences 2025年

作者： Shan Lu Chenxi Cao Wenjia Zhang Jiayi Li Jingli y.ng Zisheng Huang Zhijun Wu Baitao liu Hongjie Huang Haijun Wang y.ngjian Wang Dingge liu Zhihua Zhang Kaiping liu Gang y.ng Xi Gong hui Dai y.ngjia Li Erdan Dong Xin Zhang y.n Zhang Haihe Laboratory of Cell Ecosystem Institute of Cardiovascular Diseases The First Affiliated Hospital of Dalian Medical University Institute of Cardiovascular Sciences School of Basic Medical Sciences Peking University Health Science Center Department of Cardiology and Institute of Vascular Medicine Peking University Third HospitalState Key Laboratory of Vascular Homeostasis and Remodeling Peking University Department of Sports Medicine Peking University Third Hospital Institute of Sports Medicine of Peking University Beijing Key Laboratory of Sports Injuries Engineering Research Center of Sports Trauma Treatment Technology and Devices Ministry of Education State Key Laboratory of Membrane Biology Institute of Molecular Medicine College of Future Technology Peking University Peking University Health Science Centre Peking University Department of Immunology School of Basic Medical Sciences NHC Key Laboratory of Medical Immunology Peking University Research Center for Cardiopulmonary Rehabilitation University of Health and Rehabilitation Sciences Qingdao Hospital (Qingdao Municipal Hospital) School of Health and Life Sciences University of Health and Rehabilitation Sciences Research Unit of Medical Science Research Management/Basic and Clinical Research of Metabolic Cardiovascular Diseases Chinese Academy of Medical Sciences

Diffuse-type tenosynovial giant cell tumor(dTGCT) is a destructive but rare benign proliferative synovial neoplasm. Although surgery is currently the main treatment modality for dTGCT, the recurrence risk is up to 50%. Therefore, there is a great need for effective drugs against dTGCT with minor side effects. The Janus kinase(JAK)/signal transducer and activator of transcription(STAT) signaling plays a central role in rheumatoid arthritis(RA), a disease with similar characteristics as dTGCT, but its function in dTGCT remains *** fibroblast-like synoviocytes(FLS) and macrophages were isolated from 10 synovial tissue samples from dTGCT patients for the screening and validation of the five clinically approved JAK inhibitors to treat RA against dTGCT. Cell viability, cell death, inflammation and the activity of the JAK family members of cultured dTGCT FLS(both 2-D and 3-D) and macrophages were investigated for the efficacy of the JAK inhibitors. Here, we found that similar to RA, JAK/STAT signaling was markedly activated in the dTGCT synovium. Of the 5 JAK inhibitors, peficitinib was shown to have the most potency in addressing some of the pathological responses of dTGCT FLS and *** potency of peficitinib was much higher than pexidartinib, which is the only FDA-approved drug for dTGCT. Mechanistically, peficitinib inhibited tyrosine kinase 2(TyK2), a JAK family member necessary for the pathological progression of dTGCT FLS and macrophages. In summary, we not only revealed JAK/STAT(especially TyK2) signaling as the major mechanism underly.ng dTGCT, but also identified peficitinib as a promising drug against dTGCT.

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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

Engineering atomic Rb-n configurations to tune radical pathways for highly selective photocatalytic H2O2 synthesis coupled with biomass valorization

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Journal of Energy Chemistry 2025年第1期100卷 215-225页

作者： Jiaye Li Shuang Pan yihuang Chen Qiong liu College of Chemistry and Materials Engineering Wenzhou University Guangdong Provincial Key Laboratory of Chemical Measurement and Emergency Test Technology (China) Institute of Analysis Guangdong Academy of Sciences (China National Analytical CenterGuangzhou)

Photocatalytic oxygen reduction for hydrogen peroxide （H2O2） synthesis presents a green and costeffective production ***,achieving highly selective H2O2synthesis remains challenging,necessitating precise control over free radical reaction pathways and minimizing undesirable oxidative ***,we report for the visible light-driven simultaneous co-photocatalytic reduction of O2to H2O2and oxidation of biomass using the atomic rubidium-nitride modified carbon nitride（CnRb）.The optimized CnRb catalyst demonstrates a record photoreduction rate of 8.01 mM h-1for H2O2generation and photooxidation rate of 3.75 mM h-1for furfuryl alcohol to furoic acid,achieving a remarkable solar-to-chemical conversion （SCC） efficiency of up to 2.27%.Experimental characterizations and DFT calculation disclosed that the introducing atomic Rb–n configurations allows for the high-selective generation of superoxide radicals while suppressing hydroxyl free radical *** is because the Rb–n serves as the new alternative site to perceive a stronger connection position for O2adsorption and reinforce the capability to extract protons,thereby triggering a high selective redox product *** study holds great potential in precisely regulating reactive radical processes at the atomic level,thereby paving the way for efficient synthesis of H2O2coupled with biomass valorization.

关键词： Free radical reactions

强化音符位置及方向先验信息的多音光学乐谱识别

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天津大学学报（自然科学与工程技术版） 2025年第1期58卷 101-110页

作者：关欣刘津津刘辉李锵天津大学微电子学院天津300072 天津师范大学音乐与影视学院天津300382

由于同一个时刻包含多个音符的多音乐谱其音符符头距离近、符号间依赖关系复杂,使得多音光学乐谱识别极具挑战.传统基于卷积和序列建模的方法,由于经典卷积存在移不变性难以精确表示音符的纵向位置信息,而传统针对上下文序列建模的方法... 详细信息

由于同一个时刻包含多个音符的多音乐谱其音符符头距离近、符号间依赖关系复杂,使得多音光学乐谱识别极具挑战.传统基于卷积和序列建模的方法,由于经典卷积存在移不变性难以精确表示音符的纵向位置信息,而传统针对上下文序列建模的方法难以有效表征调号中变音记号与五线谱内符头的空间相关性,存在符头音高识别不准、变音记号作用范围有限的问题,从而影响音符音高、时值标注的准确性.针对以上问题,提出了一种强化音符位置及方向先验信息的多音光学乐谱识别方法.首先,提出一种纵向位置编码方法,将纵向位置信息嵌入乐谱图像,以更精确地表示符头的纵向位置信息,从而能明确区分多音乐谱中的不同音高.其次,提出了变音记号位置注意力,以明确建立变音记号和符头的空间依赖关系.最后,针对多音符头纵向分布、音符序列横向排列、音符符头、符干和符尾呈现的局部方向性特点,提出了方向注意力模块,更好地捕捉音符特征分布的方向性.在多音乐谱数据集上开展实验,实验结果表明,该方法对时值识别的符号错误率为1.14%,对音高识别的符号错误率为2.14%.与当前基准方法卷积递归神经网络相比,该方法时值识别的符号错误率降低了0.67%,对音高识别的符号错误率降低了1.14%,对多音乐谱具有良好的识别效果.

关键词：光学乐谱识别位置编码位置注意力方向注意力

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