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Experimental measurements and theoretical calculations of the atomic structure of materials with subangstrom resolution and picometer precision

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Chinese Science Bulletin 2014年第15期59卷 1719-1724页

作者： Jing zhu rong Yu Beijing National Center for Electron Microscopy Key Laboratory of Advanced Materials of Ministry of Education of China and State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University

Lattice defects are unavoidable structural units in materials and play an important role in determining material *** with the periodic structure of crystals,the atomic configurations of the lattice defects are determined by the coordinates of a large number of atoms,making it difficult to experimentally investigate *** computational materials science,multiparameter optimization is also a difficult problem and experimental verification is usually required to determine the possibility of obtaining the structure and properties predicted by *** our recent studies on oxide surfaces as examples,we introduce the method of integrated aberration-corrected electron microscopy and the first-principles calculations to analyze the atomic structure of lattice *** atomic configurations of defects were measured using quantitative high-resolution electron microscopy at subangstrom resolution and picometer precision,and then the electronic structure and dynamic behavior of materials can be studied at the atomic scale using the firstprinciples *** two methods complement each other and can be combined to increase the understanding of the atomic structure of materials in both the time and space dimensions,which will benefit materials design at the atomic scale.

关键词：材料性能原子结构计算材料学实验测量分辨率皮米高分辨电子显微镜电子显微镜分析

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溴乙烯在外电场中的解离性质研究

原子与分子物理学报 2025年第4期42卷 20-26页

作者：周华森韩博元努尔比耶·艾则孜章吴熠朱奕虹刘玉柱南京信息工程大学江苏省大气海洋光电探测重点实验室南京210044 江苏省大气环境与装备技术协同创新中心南京210044

溴乙烯具有极高的毒性,它不仅会污染环境,还会损害人类的身心健康.因此,研究它的分子结构及其解离方式,不仅具有重要的科学意义,而且也具有极高的社会意义.本文采用密度泛函理论(DFT),以B3LYP/6-31G++(d,p)基组,深入探索溴乙烯分子在0 V... 详细信息

溴乙烯具有极高的毒性,它不仅会污染环境,还会损害人类的身心健康.因此,研究它的分子结构及其解离方式,不仅具有重要的科学意义,而且也具有极高的社会意义.本文采用密度泛函理论(DFT),以B3LYP/6-31G++(d,p)基组,深入探索溴乙烯分子在0 V·nm^(-1)~80 V·nm^(-1)外电场的影响下,其分子结构和解离特性.通过计算,随着外电场的增强:分子总能量和碳碳双键(C=C)的键长减小,碳溴键(C-Br)的键长和偶极矩增大.能隙E_(G)先增大后减小,分子结构稳定性降低.红外光谱主要产生了6个特征吸收峰,且普遍存在红移现象.分子解离特性表现为:当外部电场强度升高时,势垒会显著减弱,直至达到154.26 V·nm^(-1)时,势垒就会完全消除,溴乙烯分子的解离能相应减弱,这表明,当外部电场强度升高时,溴乙烯分子会发生逐步的分解.因此,这一结论可以为进一步探讨溴乙烯分子和其相关的化合物的解离研究提供依据.

关键词：溴乙烯红外光谱外电场解离势能面降解

Wearable Leg Movement Monitoring System for High-Precision Real-Time Metabolic Energy Estimation and Motion Recognition

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Research 2024年第2期2023卷 417-429页

作者： Jinfeng Yuan Yuzhong Zhang Shiqiang Liu rong zhu State Key Laboratory of Precision Measurement Technology and Instruments Department of Precision InstrumentTsinghua UniversityBeijing 100084China

Comprehensive and quantitative assessment of human physical activity in daily life is valuable for healthcare,especially for those who suffer from obesity and neurological disorders or are at high risk of *** wearable devices,e.g.,smartwatches,are insufficient and inaccurate for monitoring highly dynamic limb movements and assessing human ***,we report a new wearable leg movement monitoring system incorporating a custom-made motion sensor with machine learning algorithm to perceive human motion accurately and comprehensively during diverse walking and running *** system enables real-time multimodal perceptions of personal identity,motion state,locomotion speed,and energy expenditure for wearers.A general law of extracting real-time metabolic energy from leg movements is verified although individual gaits show *** addition,we propose a novel sensing configuration combining unilateral lower leg movement velocity with its angular rate to achieve high accuracy and good generalizability while simplifying the wearable *** performances in personal identification(accuracy of 98.7%)and motion-state recognition(accuracy of 93.7%)are *** wearable system also exhibites high-precision real-time estimations of locomotion speed(error of 3.04%to 9.68%)and metabolic energy(error of 4.18%to 14.71%)for new subjects across various time-varying *** wearable system allows reliable leg movement monitoring and quantitative assessment of bodily kinematic and kinetic behaviors during daily activities,as well as safe identity authentication by gait parameters,which would greatly facilitate smart life,personal healthcare,and rehabilitation training.

关键词： smart enable monitoring

Single-atom cobalt nanozymes promote spinal cord injury recovery by anti-oxidation and neuroprotection

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Nano Research 2023年第7期16卷 9752-9759页

作者： Yuxing Jiang Hongtao rong yifan Wang Shange Liu Peng Xu Zhen Luo Lamei Guo Tao zhu(✉) Hongpan rong Dingsheng Wang Jiatao Zhang Yu yi Hao Wang Tianjin Medical University General Hospital Tianjin 300052China CAS Center for Excellence in Nanoscience CAS Key Laboratory for Biomedical Effects of Nanomaterials and NanosafetyNational Center for Nanoscience and TechnologyBeijing 100190China Beijing Key Laboratory of Construction-Tailorable Advanced Functional Materials and Green Applications Key Laboratory of Medical Molecule Science and Pharmaceutics EngineeringMinistry of Industry and Information TechnologySchool of Materials Science&EngineeringSchool of Chemistry and Chemical EngineeringInstitute of Engineering MedicineBeijing Institute of TechnologyBeijing 100081China Department of Chemistry Tsinghua UniversityBeijing 100084China University of Chinese Academy of Sciences Beijing 100049China

Oxidative stress and inflammation are central pathophysiological processes in a traumatic spinal cord injury(SCI).Antioxidant therapies that reduce the reactive oxygen and nitrogen species(RONS)overgeneration and inflammation are proved promising for improving the ***,efficient and long-lasting antioxidant therapy to eliminate multiple RONS with effective neuroprotection remains ***,a single-atom cobalt nanozyme(Co-SAzyme)with a hollow structure was reported to reduce the RONS and inflammation in the secondary injury of *** SAzymes featuring different single metal-N sites(e.g.,Mn,Fe,Co,Ni,and Cu),this Co-SAzyme showed a versatile property to eliminate hydrogen peroxide(H_(2)O_(2)),superoxide anion(O_(2)·^(-)),hydroxyl radical(·OH),nitric oxide(·NO),and peroxynitrite(ONOO^(-))that overexpressed in the early stage of *** porous hollow structure also allowed the encapsulation and sustained release of minocycline for neuroprotection in *** vitro results showed that the Co-SAzyme reduced the apoptosis and pro-inflammatory cytokine levels of microglial cells under oxidative *** addition,the Co-SAzyme combined with minocycline achieved remarkable improved functional recovery and neural repairs in the SCI-rat model.

关键词： single-atom catalysis spinal cord injury reactive oxygen and nitrogen species anti-inflammation neuroprotection

Liver as a new target organ in Alzheimer's disease:insight from cholesterol metabolism and its role in amyloid-beta clearance

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Neural Regeneration Research 2025年第3期20卷 695-714页

作者： Beibei Wu Yuqing Liu Hongli Li Lemei zhu Lingfeng Zeng Zhen Zhang Weijun Peng Department of Integrated Traditional Chinese&Western Medicine The Second Xiangya HospitalCentral South UniversityChangshaHunan ProvinceChina Academician Workstation Changsha Medical UniversityChangshaHunan ProvinceChina Yangsheng College of Traditional Chinese Medicine Guizhou University of Traditional Chinese MedicineGuiyangGuizhou ProvinceChina Qinhuangdao Shanhaiguan Pharmaceutical Co. LtdQinhuangdaoHebei ProvinceChina National Clinical Research Center for Mental Disorder The Second Xiangya HospitalCentral South UniversityChangshaHunan ProvinceChina

Alzheimer's disease,the primary cause of dementia,is characterized by neuropathologies,such as amyloid plaques,synaptic and neuronal degeneration,and neurofibrillary *** amyloid plaques are the primary characteristic of Alzheimer's disease in the central nervous system and peripheral organs,targeting amyloid-beta clearance in the central nervous system has shown limited clinical efficacy in Alzheimer's disease *** abnormalities are commonly observed in patients with Alzheimer's *** liver is the primary peripheral organ involved in amyloid-beta metabolism,playing a crucial role in the pathophysiology of Alzheimer's ***,impaired cholesterol metabolism in the liver may exacerbate the development of Alzheimer's *** this review,we explore the underlying causes of Alzheimer's disease and elucidate the role of the liver in amyloid-beta clearance and cholesterol ***,we propose that restoring normal cholesterol metabolism in the liver could represent a promising therapeutic strategy for addressing Alzheimer's disease.

关键词： ABCA1 Alzheimer's disease amyloid-beta apolipoprotein E cholesterol metabolism liver liver X receptor low-density lipoprotein receptor-related protein 1 peripheral clearance tauroursodeoxycholic acid

Dip2a regulates stress susceptibility in the basolateral amygdala

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Neural Regeneration Research 2025年第6期20卷 1735-1748页

作者： Jing Li Zixuan He Weitai Chai Meng Tian Huali Yu Xiaoxiao He Xiaojuan zhu Key Laboratory of Molecular Epigenetics Ministry of Education Institute of Genetics and CytologyNortheast Normal UniversityChangchunJilin ProvinceChina

Dysregulation of neurotransmitter metabolism in the central nervous system contributes to mood disorders such as depression, anxiety, and post–traumatic stress disorder. Monoamines and amino acids are important types of neurotransmitters. Our previous results have shown that disco-interacting protein 2 homolog A(Dip2a) knockout mice exhibit brain development disorders and abnormal amino acid metabolism in serum. This suggests that DIP2A is involved in the metabolism of amino acid–associated neurotransmitters. Therefore, we performed targeted neurotransmitter metabolomics analysis and found that Dip2a deficiency caused abnormal metabolism of tryptophan and thyroxine in the basolateral amygdala and medial prefrontal cortex. In addition, acute restraint stress induced a decrease in 5-hydroxytryptamine in the basolateral amygdala. Additionally, Dip2a was abundantly expressed in excitatory neurons of the basolateral amygdala, and deletion of Dip2a in these neurons resulted in hopelessness-like behavior in the tail suspension test. Altogether, these findings demonstrate that DIP2A in the basolateral amygdala may be involved in the regulation of stress susceptibility. This provides critical evidence implicating a role of DIP2A in affective disorders.

关键词： 5-hydroxytryptamine acute restraint stress basolateral amygdala CaMKII neurons DIP2A metabolomics neurotransmitters principal component analysis stress susceptibility tryptophan

EFFECTS OF RED LIGHT AT 640nm FROM LIGHT EMITTING DIODES ON THE RESPIRATORY BURST OF HUMAN NEUTROPHILS

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Journal of Innovative Optical Health Sciences 2008年第2期1卷 285-294页

作者： MIN WU LING zhu BINA HU TIMON CHENG-yi LIU DONG-LIANG rong TONG-SHENG CHEN Laboratory of Laser Sports Medicine South China Normal University Guangzhou GD 510006China MOE Key Laboratory of Laser Life Science South China Normal University GuangzhouGD 510631China

Photobiomodulation(PBM)has been reported to have effects on respiratory burst of polymorphonuclear neutrophils(PMNs),but little focus was on the individual differences of human *** latter was investigated in this *** PMNs were isolated from peripheral blood of 13 volunteers(10 ordinary persons,3 athletes)and treated by red light(640±15 nm)from light emitting diodes(RLED)at 50,100,300,500 and 1000 J/m^(2)for 100 seconds,*** samples of athletes were extracted at different running stages in 10 km non-interrupted long-distance running,before running,1 hour after running began,just finishing the running,resting for 1 hour and 2 hours after *** PMN respiratory burst was assessed by the nitroblue tetrazolium *** was found that there were three types of RLED PBM on the respiratory burst of 3 types of PMNs,respectively,inducing for the subactivated PMNs,inhibiting for the overactivated PMNs and none for the PMNs in *** was then concluded that there may be RLED PBM on dysfunctional human PMNs while none on those in homeostasis,and RLED at 300 J/m^(2)for 100 seconds may have bi-direction modulation on PMN respiratory burst.

关键词： Polymorphonuclear neutrophils photobiomodulation homeostasis

Asian Journal of Andrology is advancing towards a bright future

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Asian Journal of Andrology 2010年第1期12卷 5-6页

作者： yi-Fei Wang Qin-zhu Zheng Dan-Qing Ren Hui Zhang Ling-Yan Ji rong-rong Ma Asian Journal of Andrology Room 302 Building 16 294 Tai-Yuan Road Shanghai 200031 China

As time quickly passes, we once again have the opportunity to wave goodbye to last year and welcome the New Year. This is also an ideal point at which to reflect on the past and envision a brighter future for Asian Jo... 详细信息

关键词： no english key word

Diagnostic Classification of Lung Cancer Using Deep Transfer Learning Technology and Multi-Omics Data

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Chinese Journal of Electronics 2021年第5期30卷 843-852页

作者： zhu rong DAI Lingyun LIU Jinxing GUO ying School of Computer Science Qufu Normal University School of Automation Central South University

In recent years, with the increasing application of highthroughput sequencing technology,researchers have obtained and accumulated a large amount of multi-omics data, making it possible to diagnose cancer at the gene expression level. The proliferation of various omics data can provide a large amount of biological information, which brings new opportunities and great challenges as well to cancer classification and *** learning algorithms for early diagnosis of lung cancer have emerged that distinguish cancers of the early and late stages by using genomic features. Omics data are generally characterized with low sample size,high dimensionality and high noise. Therefore, simple direct application of common classification methods cannot achieve better performance and must be improved in a targeted manner. This paper puts forward a combined convolutional neural network and convolutional autoencoders approach to construct a deep migratory learning classification model for early lung cancer diagnosis. First,the convolutional auto-encoders algorithm is used to reduce the dimensionality of the dataset in order to make it better meet the requirements of migration ***, a neural network model is constructed with the original dataset and the existing labeled dataset, and the model migration rules are set as well. Finally, a small number of labeled target datasets are used in the training to complete the construction of the classification *** proposed convolutional neural network method based on model migration and five other popular machine learning models are used to classify and predict the three lung cancer gene datasets and the integrated *** experimental results show that such four evaluation metrics as accuracy, precision, recall, and f1-score with our proposed method have obtained better prediction performance, and the average area under curve result also shows our proposed method is optimal.

关键词： machine learning models early stages genetics lung image classification convolutional autoencoder approach patient diagnosis genomics cancer cancer classification labeled target datasets late stages gene expression level image coding multiomics data deep learning (artificial intelligence) diagnostic classification early diagnosis omics data lung cancer diagnosis convolutional neural network method bioinformatics combined convolutional neural network model migration rules migration learning integrated dataset deep migratory learning classification model machine learning algorithms lung cancer gene datasets high-throughput sequencing technology deep transfer learning technology diagnostic radiography