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A deep learning-driven discovery of berberine derivatives as novel antibacterial against multidrug-resistant Helicobacter pylori

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Signal Transduction and Targeted Therapy 2024年第8期9卷 3449-3466页

作者： Xixi Guo Xiaosa Zhao Xi Lu Liping Zhao Qingxuan Zeng Fenbei Chen Zhimeng Zhang Mengyi Xu Shijiao Feng Tianyun Fan Wei Wei xin Zhang Jing Pang xuefu You Danqing song Yanxiang Wang Jiandong Jiang Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences and Peking Union Medical College100050 BeijingChina School of Information Science and Technology Northeast Normal UniversityChangchun 130117China Department of Pharmacy Affiliated Hospital of Jining Medical UniversityJining Medical UniversityJining 272029 ShandongChina Institute of Health and Medicine Hefei Comprehensive National Science CenterHefei230601AnhuiChina

Helicobacter pylori(***)is currently recognized as the primary carcinogenic pathogen associated with gastric tumorigenesis,and its high prevalence and resistance make it difficult to tackle.A graph neural network-based deep learning model,employing different training sets of 13,638 molecules for pre-training and fine-tuning,was aided in predicting and exploring novel molecules against ***.A positively predicted novel berberine derivative 8 with 3,13-disubstituted alkene exhibited a potency against all tested drug-susceptible and resistant *** strains with minimum inhibitory concentrations(MICs)of 0.25-0.5μg/*** studies demonstrated an ideal gastric retention of 8,with the stomach concentration significantly higher than its MIC at 24 h post *** administration of 8 and omeprazole(OPZ)showed a comparable gastric bacterial reduction(2.2-log reduction)to the triple-therapy,namely OPZ+amoxicillin(AMX)+clarithromycin(CLA)without obvious disturbance on the intestinal flora.A combination of OPZ,AMX,CLA,and 8 could further decrease the bacteria load(2.8-log reduction).More importantly,the mono-therapy of 8 exhibited comparable eradication to both triple-therapy(OPZ+AMX+CLA)and quadrupletherapy(OPZ+AMX+CLA+bismuth citrate)*** and BamD,playing a major role in outer membrane protein(OMP)transport and assembling,were identified and verified as the direct targets of 8 by employing the chemoproteomics technique.n summary,by targeting the relatively conserved OMPs transport and assembling system,8 has the potential to be developed as a novel *** candidate,especially for the eradication of drug-resistant strains.

关键词： berberine stomach retention

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Soil metabolomics:Deciphering underground metabolic webs in terrestrial ecosystems

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Eco-Environment & Health 2024年第2期3卷 227-237页

作者： Yang song Shi Yao Xiaona Li Tao Wang xin Jiang Nanthi Bolan Charles R.Warren Trent R.Northen Scott X.Chang State Key Laboratory of Soil and Sustainable Agriculture Institute of Soil ScienceChinese Academy of SciencesNanjing 210008China University of Chinese Academy of Sciences Beijing 100049China School of Environment and Ecology Jiangnan UniversityWuxi 225127China Institute of Mountain Hazards and Environment Chinese Academy of SciencesChengdu 610299China School of Agriculture and Environment The University of Western AustraliaNedlandWA-6009Australia The UWA Institute of Agriculture The University of Western AustraliaNedlandWA-6009Australia Healthy Environments and Lives(HEAL)National Research Network Australia School of Life and Environmental Sciences University of SydneyHeydon-Laurence Building A08NSW 2006Australia Environmental Genomics and System Biology Division Lawrence Berkeley National Laboratory1 Cyclotron RdBerkeleyCA 94720USA Joint Genome Institute Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA Department of Renewable Resources University of AlbertaEdmontonAlberta T6G 2E3Canada

Soil metabolomics is an emerging approach for profiling diverse small molecule metabolites,i.e.,metabolomes,in the *** metabolites,including fatty acids,amino acids,lipids,organic acids,sugars,and volatile organic compounds,often contain essential nutrients such as nitrogen,phosphorus,and sulfur and are directly linked to soil biogeochemical cycles driven by soil *** paper presents an overview of methods for analyzing soil metabolites and the state-of-the-art of soil metabolomics in relation to soil nutrient *** describe important applications of metabolomics in studying soil carbon cycling and sequestration,and the response of soil organic pools to changing environmental *** includes using metabolomics to provide new insights into the close relationships between soil microbiome and metabolome,as well as responses of soil metabolome to plant and environmental stresses such as soil *** also highlight the advantage of using soil metabolomics to study the biogeochemical cycles of elements and suggest that future research needs to better understand factors driving soil function and health.

关键词： Dissolved organic matter Carbon cycling Metabolomes Extraction method Soil microbiome Rhizosphere ecology

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共建“一带一路”十周年:重大安全成就与风险应对

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东北亚论坛 2024年第2期33卷 17-33,127页

作者：宋国新同济大学政治与国际关系学院上海200092 同济大学中国战略研究院上海200092

“一带一路”是维护共建国家安全、破解沿线安全困境、推动区域和平发展的实践创新。十年来,共建“一带一路”在区域安全合作方面取得一系列重大安全成就,即从理念、器物和制度三个层面构建了以发展为导向的区域安全合作新模式,积极破... 详细信息

“一带一路”是维护共建国家安全、破解沿线安全困境、推动区域和平发展的实践创新。十年来,共建“一带一路”在区域安全合作方面取得一系列重大安全成就,即从理念、器物和制度三个层面构建了以发展为导向的区域安全合作新模式,积极破除“一带一路”建设面临的各种安全问题,批驳西方对“一带一路”建设非安全问题的渲染,对区域安全合作作出了重大贡献。同时,“一带一路”倡议已经成为重要的全球治理平台,强化了共建国家的安全互信、抑制了大国地缘政治博弈、正在铲除战争、恐怖主义、跨国有组织犯罪等滋生的社会土壤,有效维护了共建国家和地区的经济安全、政治安全、社会安全、文化安全、卫生安全、生态安全和数据安全。然而,共建“一带一路”依然面临诸多传统和非传统安全风险以及国际舆论的泛安全化渲染,导致单纯以发展来促进安全的成效相对滞后和减弱。为此,从以安全保发展的视角出发,共建国家需要在“一带一路”框架下积极落实全球安全倡议、不断深化多层次、复合型安全风险防控机制、构建国际舆论的正向引导机制,持续优化沿线安全环境。

关键词： “一带一路”倡议发展导向安全风险泛安全化国际安全合作

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Superconductivity with Tc of 116 K discovered in antimony polyhydrides

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National Science Review 2024年第7期11卷 21-25页

作者： Ke Lu xin He Changling Zhang Zhiwen Li Sijia Zhang Baosen Min Jun Zhang Jianfa Zhao Luchuan Shi Yi Peng Shaomin Feng Qingqing Liu Jing song Richeng Yu Xiancheng Wang Yu Wang Maxim Bykov Changqing Jin Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences School of Physical Sciences University of Chinese Academy of Sciences songshan Lake Materials Laboratory Institute of Geosciences Goethe University Frankfurt Institute of Inorganic Chemistry University of Cologne

Superconductivity（SC） was experimentally observed for the first time in antimony polyhydride. The diamond anvil cell combined with a laser heating system was used to synthesize the antimony polyhydride sample at high pressure and high temperature. In-situ high pressure transport measurements as a function of temperature with an applied magnetic field were performed to study the SC properties. It was found that the antimony polyhydride samples show superconducting transition with critical temperature Tc116 K at 184 GPa. The investigation of SC at magnetic field revealed the superconducting coherent length of～40 ? based on the Ginzburg Landau（GL） equation. Antimony polyhydride superconductor has the second highest Tcin addition to sulfur hydride among the polyhydrides of elements from main groups IIIA to VIIA in the periodic table.

关键词： high Tc superconductor antimony polyhydrides high pressure effects

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Progress on the melanoidins produced by the Maillard reaction of fermented food and traditional Chinese medicine

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Food and Health 2024年第4期6卷 10-18页

作者： Guang-Zhen Cao Si-Yi Zhang Yao-song Yang Qing He xin-Xian song Fei Long Teng Peng School of Pharmacy Chengdu University of Traditonal Chinese MedicineChengduChina

FMs(Food-borne melanoidins)are brown high molecular weight polymers formed by the Mailiard reaction between carbohydrates and nitrogen-containing compounds during the processing of food or Traditional Chinese Medicine(TCM),and are widely found in food-borne products such as TCM concoctions,bakery,brewing,soy sauce,ferment and other food-borne *** not only have a variety of biological activities,such as antioxidant,antibacterial,immunomodulation,regulation of intestinal flora,etc.,and can change the color,aroma and taste of *** diversity of its components has become a research hotspot at home and abroad in recent years,with a wide range of application ***,this paper summarizes the existing information on FMs at home and abroad,mainly describes their preparation process,physicochemical properties,structural characteristics and functional activity research *** FMs,such as coffee,biscuits,wine and soy sauce in daily food,and Polygonatum,Perilla oil,Black ginseng,and Red jujube in T,were *** the current status of research between the chemistry and pharmacodynamics of relevant FMs and presenting challenges and future recommendations for melanoidin *** future research on FMs,one should pay more attention to basic research,especially isolation and purification and generation mechanisms,to further demonstrate the biological activity of FMs in vivo and in clinical ***,the potential value of its existence is deeply exploited to meet the needs of technology,production and health.

关键词： Food-borne melanoidins Physical and chemical properties Structure Functional activities Application prospects

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Recent Advances in Spin-coating Precursor Mediated Chemical Vapor Deposition of Two-Dimensional Transition Metal Dichalcogenides

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Precision Chemistry 2024年第7期2卷 282-299页

作者： Dingyi Shen Yejun Jin Zucheng Zhang Rong song Miaomiao Liu Wei Li xin Li Ruixia Wu Bo Li Jia Li Bei Zhao Xidong Duan Hunan Key Laboratory of Two-Dimensional Materials State Key Laboratory for Chemo/Biosensing and ChemometricsCollege of Chemistry and Chemical EngineeringHunan University410082 ChangshaChina Key Laboratory of Quantum Materials and Devices of Ministry of Education School of PhysicsSoutheast UniversityNanjing 211189China Key Laboratory of Two-Dimensional Materials State Key Laboratory for Chemo/Biosensing and ChemometricsCollege of Chemistry and Chemical EngineeringHunan University410082 ChangshaChina

Two-dimensional(2D)transition metal dichalcogenides(TMDs)have garnered widespread interest in the scientific community and industry for their exceptional physical and chemistry properties,and great potential for applications in diverse fields including(opto)electronics,electrocatalysis,and energy *** vapor deposition(CVD)is one of the most compelling growth methods for the scalable growth of high-quality 2D ***,the conventional CVD process for synthesis of 2D TMDs still encounters significant challenges,primarily attributed to the high melting point of precursor powders,and achieving a uniform distribution of precursor atmosphere on the substrate to obtain controllable smaple domains is *** spin-coating precursor mediated chemical vapor deposition(SCVD)strategy provides refinement over traditional methods by eliminating the use of solid precursors and ensuring a more clean and uniform distribution of the growth material on the ***,the SCVD process allows fine-tuning of material thickness and purity by manipulating solution composition,concentration,and the spin coating *** Review presents a comprehensive summary of recent advances in controllable growth of 2D TMDs with a SCVD ***,a series of various liquid precursors,additives,source supply methods,and substrate engineering strategies for preparing atomically thin TMDs by SCVD are ***,2D TMDs heterostructures and novel doped TMDs fabricated through the SCVD method are ***,the current challenges and perspectives to synthesize 2D TMDs using SCVD are discussed.

关键词： Spin-coating Chemical vapor deposition Liquid precursor Substrate Two-dimensional materials Heterostructure Doping Film

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Regeneration of photovoltaic industry silicon waste toward high-performance lithium-ion battery anode

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Rare Metals 2024年第10期43卷 4948-4960页

作者： Kai Wang Xiao-Bin Zhong Yue-Xian song Yao-Hui Zhang Yan-Gang Zhang Xiao-Gang You Pu-Guang Ji Kurbanov Mirtemir Shodievich Umedjon Khalilov Gong-Kai Wang xin Zhang xing-Liang Yao Feng Li Jun-Fei Liang Hua Wang School of Energy and Power Engineering North University of China Zhongyuan Critical Metals Laboratory Zhengzhou University Tianjin Key Laboratory of Materials Laminating Fabrication and Interface Control Technology School of Material Science and EngineeringHebei University of Technology Arifov Institute of Ion-Plasma and Laser Technologies Academy of Sciences of the Republic of Uzbekistan New Uzbekistan University Arifov Institute of Ion-Plasma and Laser Technologies Academy of Sciences of Uzbekistan University of Antwerp School of Chemistry Beihang University

The diamond-wire sawing silicon waste（DWSSW） from the photovoltaic industry has been widely considered as a low-cost raw material for lithium-ion battery silicon-based electrode,but the effect mechanism of impurities presents in DWSSW on lithium storage performance is still not well understood;meanwhile,it is urgent to develop a strategy for changing DWSSW particles into high-performance electrode *** this work,the occurrence state of impurities presents in DWSSW was carefully analyzed using in situ Ar ion etching technology Then,the novel Si@C@SiOx@PAl-NDC composite was designed through in situ encapsulation *** obtained Si@C@SiOx@PAl-NDC electrode shows a high first capacity of 2343.4 mAh·g-1with an initial Coulombic efficiency （ICE） of 84.4%under current density of 1.0 A·g-1,and can deliver an impressive capacity of 984.9 mAh·g-1after 200 *** numerical simulation modeling calculations,the increase in proportion of Si4+/Si0and Si3+/Si0valence states in SiOxlayer leads to a decrease in von Mises stress,which ultimately improves the cycling structural ***,the porous 2D-3D aluminum/nitrogen （Al/N） co-doped carbon layer and nanowires on SiOxlayer can provide abundant active sites for lithium storage due to its developed hierarchical pores structure,which facilitates ion transport What is more,the performance of Si@C@SiOx@PAl-NDC//LiFePO4full cell shows its great potential in practical application.

关键词： Aluminum/nitrogen co-doped In situ encapsulation Lithium-ion batteries Porous carbon nanowires Sawing silicon waste

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论茶俗的本质及其相关问题

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农业考古 2024年第5期 14-20页

作者：李萍宋馨中国人民大学哲学院中国人民大学茶道哲学研究所

中国是世界茶文化之乡,很早就出现了有关茶种植、加工、品饮的习俗,但“茶俗”作为一个专有名词的产生则是在近代开启现代化事业之后。茶俗的特点包括雅俗共赏、乐生、多中含一。茶俗的主体可以分成普通主体和排他性主体。茶俗再现了当... 详细信息

中国是世界茶文化之乡,很早就出现了有关茶种植、加工、品饮的习俗,但“茶俗”作为一个专有名词的产生则是在近代开启现代化事业之后。茶俗的特点包括雅俗共赏、乐生、多中含一。茶俗的主体可以分成普通主体和排他性主体。茶俗再现了当地人群的生活场景。在当代,不断被发明的茶俗正在为各地民众提供足以形成社会认同的文化符号和地方传统。

关键词：茶俗现代性历史合理性文化符号中华茶文化

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含H_(2)S天然气管道内腐蚀直接评价方法的改进

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腐蚀与防护 2024年第8期45卷 77-83页

作者：李欣王松中国石油天然气管道工程有限公司廊坊065000

为了确定H_(2)S对天然气管道内腐蚀的影响,对NACE SP0110-2010标准提出的天然气管道内腐蚀直接评价方法(包括预评价、间接评价、直接评价、后评价四个环节)进行改进,即在该方法的间接评价环节引入了CO_(2)-H_(2)S腐蚀速率预测模型和积... 详细信息

为了确定H_(2)S对天然气管道内腐蚀的影响,对NACE SP0110-2010标准提出的天然气管道内腐蚀直接评价方法(包括预评价、间接评价、直接评价、后评价四个环节)进行改进,即在该方法的间接评价环节引入了CO_(2)-H_(2)S腐蚀速率预测模型和积水概率参数,提高了推荐开挖点管道腐蚀程度的准确性。并以某含H_(2)S天然气管道为例,对改进后的评价方法进行了演示。结果表明:根据间接评价(多相流腐蚀模拟计算),极严重腐蚀出现在管道前500 m处,23%管段的积水概率为1;根据直接评价(现场开挖),5个开挖点处管道均属于极严重腐蚀,最大腐蚀速率为0.337 mm/a,与间接评价的预测结果一致;根据后评价确定了管道再评估时间间隔为1 a。改进后评价方法对预测多相流含H2S天然气管道内腐蚀高危点具有一定的借鉴意义。

关键词：天然气管道 H_(2)S 内腐蚀直接评价改进

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A novel deep generative model for mRNA vaccine development: Designing 5′ UTRs with N1-methyl-pseudouridine modification

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Acta Pharmaceutica Sinica B 2024年第4期14卷 1814-1826页

作者： Xiaoshan Tang Miaozhe Huo Yuting Chen Hai Huang Shugang Qin Jiaqi Luo Zeyi Qin xin Jiang Yongmei Liu xing Duan Ruohan Wang Lingxi Chen Hao Li Na Fan Zhongshan He Xi He Bairong Shen Shuai Cheng Li Xiangrong song Institute of Systems Genetics Department of Critical Care MedicineFrontiers Science Center for Disease-related Molecular NetworkState Key Laboratory of Biotherapy and Cancer CenterWest China HospitalSichuan UniversityChengdu 610000China Department of Computer Science City University of Hong KongHong Kong 99907China Department of Biology Brandeis UniversityBostonMA 02453USA

Efficient translation mediated by the 5'untranslated region(5'UTR)is essential for the robust efficacy of mRNA ***,the N1-methyl-pseudouridine(m1)modification of mRNA can impact the translation efficiency of the 5'*** discovered that the optimal 5'UTR for m1y-modified mRNA(m1y-5'UTR)differs significantly from its unmodified counterpart,high-lighting the need for a specialized tool for designing mly-5'UTRs rather than directly utilizing high-expression endogenous gene 5'*** response,we developed a novel machine learning-based tool,Smart5UTR,which employs a deep generative model to identify superior m1y-5'UTRs in *** tailored loss function and network architecture enable Smart5UTR to overcome limitations inherent in existing *** a result,Smart5UTR can successfully design superior 5'UTRs,greatly benefiting mRNA vaccine ***,Smart5UTR-designed superior 5'UTRs significantly enhanced antibody titers induced by COVID-19 mRNA vaccines against the Delta and Omicron variants of SARS-CoV-2,surpassing the performance of vaccines using high-expression endogenous gene 5'UTRs.

关键词： mRNA vaccine Machine learning 5'UTR mRNA design Sequence design N1-Methyl-pseudouridine COVID-19 SARS-CoV-2

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