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Materials Futures 2024年第2期3卷 161-169页

作者： Guanghui Cai Zhendong cao Fankai Xie Huaxian Jia Wei Liu Yaxian Wang Feng Liu Xinguo Ren Sheng Meng miao Liu Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190People’s Republic of China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100190People’s Republic of China Songshan Lake Materials Laboratory DongguanGuangdong 523808People’s Republic of China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049People’s Republic of China Tencent AI Lab TencentShenzhen 518057People’s Republic of China Department of Materials Science and Engineering University of UtahSalt Lake CityUT 84112United States of America

DFT+U is a widely used treatment in the density functional theory(DFT)to deal with correlated materials that contain open-shell elements,whereby the quantitative and sometimes even qualitative failures of local and semi-local approximations can be corrected without much computational overhead.However,finding appropriate U parameters for a given system and structure is non-trivial and computationally intensive,because the U value has generally a strong chemical and structural dependence.In this work,we address this issue by building a machine learning(ML)model that enables the prediction of material-and structure-specific U values at nearly no computational cost.Using Mn–O system as an example,the ML model is trained by calibrating DFT+U electronic structures with the hybrid functional results of more than 3000 structures.The model allows us to determine an accurate U value(MAE=0.128 eV,R^(2)=0.97)for any given Mn–O structure.Further analysis reveals that M–O bond lengths are key local structural properties in determining the U value.This approach of the ML U model is universally applicable,to significantly expand and solidify the use of the DFT+U method.

关键词： DFT+U machine learning Bayesian optimization

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Deep learning sheds new light on non-orthogonal optical multiplexing

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Light(Science & Applications) 2024年第5期13卷 808-809页

作者： Zhengzhong Huang Liangcai cao Department of Precision Instruments Tsinghua UniversityBeijingChina

A deep neural network for non-orthogonal input channel encoding is proposed to recover speckle images through a multimode fiber.This novel approach could shed new light on the non-orthogonal optical multiplexing over ... 详细信息

关键词： optical multiplexing scattering

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Angiogenesis in diseases:A half-century excursion from the initial therapeutic concept to current clinical benefits

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Chinese Medical Journal 2024年第6期137卷 636-637页

作者： Yihai cao Department of Microbiology Tumor and Cell BiologyKarolinska InstituteStockholm 17177Sweden

Except a few tissues such as the cornea and cartilage that are avascular,blood vessels constitute a significant proportion of tissue masses in virtually all organs.Under physiological conditions,the adult vasculature remains quiescent to retain tissue and organ homeostatic functions.Too few or too many blood vessels are associated with the onset and progression of many diseases.In response to injuries,most tissues undergo repair by switching on angiogenesis,a key process of new blood vessel formation.^([1])Similarly,angiogenesis is often active in pathological tissues,including tumors and ischemic tissues to aggravate disease progression.

关键词： injuries organs diseases

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Pt nanodendrites with a PtIr alloy surface structure exhibit excellent stability toward acidic hydrogen evolution reaction

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Nano Research 2024年第6期17卷 4844-4849页

作者： Chang Liu Zongnan Wei Minna cao Rong cao State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China University of Chinese Academy of Sciences Beijing 100049China Fujian Science and Technology Innovation Laboratory for Optoelectronic Information of China Fuzhou 350108China

The development of effective and stable electrocatalysts for the hydrogen evolution reaction(HER)in acidic electrolytes is a significant challenge.In this work,homogeneous Pt nanodendrites(Pt NDs)with a PtIr shell were successfully synthesized by a two-step wet chemical method.This open three-dimensional(3D)dendritic structure exhibited exceptional electrocatalytic characteristics,exposing as many active sites as feasible.Furthermore,by alloying Ir with Pt on the surface,catalytic activity was greatly enhanced while ensuring extremely high stability.Iridium surface-enriched platinum nanodendritic catalysts(Pt@PtIr NDs)outperformed the control samples and the commercial catalysts.In acidic HER test,Pt@PtIr NDs had a lower overpotential(22 mV)than Pt NDs(26 mV)and commercial Pt/C(31 mV)at 10 mA/cm^(2),and the activity of Pt@PtIr NDs remained consistent even after undergoing a continuous durability test for at least 168 h,which was much superior to the performance of commercial Pt/C(10 h)under identical test conditions.This study revealed that the application of 3D Pt dendritic metal alloys may offer a chance for the development of enhanced electrocatalysts in acidic HER.

关键词： Pt nanodendrites iridium high stability hydrogen evolution reaction alloy

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Ferroptosis: A therapeutic opportunity of inflammatory bowel disease

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中华医学杂志(英文版) 2024年第7期137卷 874-876页

作者： Ye Yulin Liu Limin Jing Yang Yao Shuangzhe Yang Mo Dai Xin Piao Meiyu Xu Xin Feng Zelin Wang Xiaoli Liu Yifei miao Junming Gao Xingjie Yu Qingxiang cao Xiaocang Department of Gastroenterology and Hepatology Tianjin Medical University General Hospital Tianjin Medical University Tianjin 300070 China Department of Biochemistry and Molecular Biology School of Basic Medical Science

To the Editor:Even to this day,the etiology and pathogenesis of inflammatory bowel disease (IBD) are still unelucidated.Despite significant progress in IBD treatment in recent years,some patients remain insensitive or non-responsive towards existing treatments.Therefore,further exploring IBD pathogenesis to develop novel therapeutic drugs or drug combinations is quite necessary.Recent studies have demonstrated the therapeutic potential of regulating cell death in IBD.The ferroptosis,a novel form of cell death,is also involved in the pathological process of IBD.

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Recent Advances in Microbial Production of Terpenoids from Biomass-derived Feedstocks

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Chemical Research in Chinese Universities 2024年第1期40卷 20-28页

作者： cao Yujin XIAN Mo CAS Key Laboratory of Biobased Materials Qingdao Institute of BioEnergy and Bioprocess TechnologyChinese Academy of SciencesQingdao 266101P.R.China Shandong Energy Institute Qingdao 266101P.R.China Qingdao New Energy Shandong Laboratory Qingdao 266101P.R.China

Terpenoids are a diverse class of natural products widely used as pharmaceuticals,perfumes,flavors,and biofuels.Traditionally,terpenoids are obtained from natural sources,such as plants,but their production is limited by the insufficiency of resources and low yields of extraction.Microbial production of terpenoids has emerged as a promising alternative due to that it is sustainable and easy to scale up.This review aims to summarize recent advances in microbial production of terpenoids from inexpensive biomass-derived feedstocks.Metabolic pathways and key enzymes involved in terpenoid biosynthesis are introduced.Microorganisms that can utilize low-cost lignocellulosic feedstocks for terpenoid production are highlighted.The challenges and prospects faced by microbial terpenoid production are proposed.We believe that continuous progress in the fields of biomass transformation and synthetic biology will ultimately achieve industrial production of microbial terpenoids.

关键词： Terpenoid Microbial production Biomass-derived feedstock Metabolic pathway

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Applications of genetic code expansion technology in eukaryotes

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Protein & Cell 2024年第5期15卷 331-363页

作者： Qiao-ru Guo Yu J.cao State Key Laboratory of Chemical Oncogenomic Guangdong Provincial Key Laboratory of Chemical GenomicsPeking University Shenzhen Graduate SchoolShenzhen 518055China Institute of Chemical Biology Shenzhen Bay LaboratoryShenzhen 518132China

Unnatural amino acids(UAAs)have gained significant attention in protein engineering and drug development owing to their ability to introduce new chemical functionalities to proteins.In eukaryotes,genetic code expansion(GCE)enables the incorporation of UAAs and facilitates posttranscriptional modification(PTM),which is not feasible in prokaryotic systems.GCE is also a powerful tool for cell or animal imaging,the monitoring of protein interactions in target cells,drug development,and switch regulation.Therefore,there is keen interest in utilizing GCE in eukaryotic systems.This review provides an overview of the application of GCE in eukaryotic systems and discusses current challenges that need to be addressed.

关键词： genetic code expansion unnatural amino acid eukaryotes basic research therapeutic applications

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Survey of hepatitis B virus infection for liver cancer screening in China: A population-based, cross-sectional study

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中华医学杂志(英文版) 2024年第12期137卷 2024 May 20页

作者： Xu Yongjie Xia Changfa Li He cao Maomao Yang Fan Li Qianru cao Mengdi Chen Wanqing Office of Cancer Screening National Cancer Center/National Clinical Research Center for Cancer/Cancer Hospital Chinese Academy of Medical Sciences and Peking Union Medical College Beijing China Office of National Cancer Regional Medical Centre in Liaoning Province The First Affiliated Hospital of China Medical University Shenyang Liaoning China.

Background: Hepatitis B virus (HBV) infection is the primary cause of hepatocellular carcinoma (HCC) in China. The target population for HCC screening comprises individuals who test positive for hepatitis B surface antigen (HBsAg). However, current data on the prevalence of HBV infection among individuals who are eligible for HCC screening in China are lacking. We aimed to assess the seroepidemiology of HBV infection among Chinese individuals eligible for HCC screening to provide the latest evidence for appropriate HCC screening strategies in China.Methods: Questionnaires including information of sex, age, ethnicity, marital status, educational level, source of drinking water, as well as smoking and alcohol consumption history and serum samples were collected from females aged 45–64 years and males aged 35–64 years in 21 counties from 4 provinces in eastern and central China between 2015 and 2023. Enzyme-linked immunosorbent assay methods were used to detect the serum HBV marker HBsAg.Results: A total of 603,082 individuals were enrolled, and serum samples were collected for analysis from January 1, 2015 to December 31, 2023. The prevalence of HBsAg positive in the study population was 5.23% (31,528/603,082). The prevalence of HBsAg positive was greater in males than in females (5.60% [17,660/315,183]vs 4.82% [13,868/287,899], χ2 = 187.52, P <0.0001). The elderly participants exhibited a greater prevalence of HBV infection than younger participants (χ2 = 41.73,P <0.0001). Birth cohort analysis revealed an overall downward trend in HBV prevalence for both males and females. Individuals born in more recent cohorts exhibited a lower prevalence of HBV infection as compared to those born earlier.Conclusions: The current prevalence of HBV infection remains above 5% in populations eligible for HCC screening in China.

关键词： Hepatitis B virus Liver cancer screening China Hepatitis B surface antigens Early detection of cancer

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Preparation and characterization of pH-responsive metal-polyphenol structure coated nanoparticles

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Food Science and Human Wellness 2024年第3期13卷 1303-1310页

作者： Qile Xia Yan Liang Ailing cao Yan cao Luyun Cai Key Laboratory of Post-Harvest Handling of Fruits Food Science InstituteZhejiang Academy of Agricultural SciencesHangzhou 310021China Ningbo Research Institute College of Biosystems Engineering and Food ScienceZhejiang UniversityNingbo 315100China School of Biological and Chemical Engineering Zhejiang Engineering Research Center for Intelligent Marine Ranch EquipmentNingboTech UniversityNingbo 315100China College of Food Science and Engineering Bohai UniversityJinzhou 121013China Hangzhou Customs District Hangzhou 310007China

In this paper,tannic acid(TA)and Fe~(3+)were added to form a layer of metal-polyphenol network structure on the surface of the nanoparticles which were fabricated by zein and carbon quantum dots(CQDs)encapsulating phlorotannins(PTN).pH-Responsive nanoparticles were prepared successfully(zein-PTN-CQDs-Fe-~Ⅲ).Further,the formation of composite nanoparticles was confirmed by a series of characterization methods.The zeta-potential and Fourier transform infrared spectroscopy data proved that electrostatic interaction and hydrogen bonding are dominant forces to form nanoparticles.The encapsulation efficiency(EE)revealed that metal-polyphenol network structure could improve the EE of PTN.Thermogravimetric analysis and differential scanning calorimetry experiment indicated the thermal stability of zein-PTN-CQDs-Fe~Ⅲnanoparticles increased because of metal-polyphenol network structure.The pH-responsive nanoparticles greatly increased the release rate of active substances and achieved targeted release.

关键词： Metal Phlorotannins Nanoparticles pH-Responsive Characterization

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In Situ Atomic Reconstruction Engineering Modulating Graphene-Like MXene-Based Multifunctional Electromagnetic Devices Covering Multi-Spectrum

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Nano-Micro Letters 2024年第9期16卷 247-261页

作者： Ting‑Ting Liu Qi Zheng Wen‑Qiang cao Yu‑Ze Wang Min Zhang Quan‑Liang Zhao Mao‑Sheng cao School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081People’s Republic of China Department of Physics Beijing Technology and Business UniversityBeijing 100048People’s Republic of China School of Mechanical and Materials Engineering North China University of TechnologyBeijing 100144People’s Republic of China

With the diversified development of big data,detection and precision guidance technologies,electromagnetic(EM)functional materials and devices serving multiple spectrums have become a hot topic.Exploring the multispectral response of materials is a challenging and meaningful scientific question.In this study,MXene/TiO_(2)hybrids with tunable conduction loss and polarization relaxation are fabricated by in situ atomic reconstruction engineering.More importantly,MXene/TiO_(2)hybrids exhibit adjustable spectral responses in the GHz,infrared and visible spectrums,and several EM devices are constructed based on this.An antenna array provides excellent EM energy harvesting in multiple microwave bands,with|S11|up to−63.2 dB,and can be tuned by the degree of bending.An ultra-wideband bandpass filter realizes a passband of about 5.4 GHz and effectively suppresses the transmission of EM signals in the stopband.An infrared stealth device has an emissivity of less than 0.2 in the infrared spectrum at wavelengths of 6-14μm.This work can provide new inspiration for the design and development of multifunctional,multi-spectrum EM devices.

关键词： Graphene-like MXene hybrids Multi-spectral response Multi-function antenna Ultra-wideband bandpass filter Electromagnetic device

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