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Photoredox-catalyzed C-glycosylation of peptides with glycosyl bromides

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Chinese Chemical Letters 2024年第6期35卷 263-267页

作者： chen Li Ziyuan Zhao Shouyun yu State Key Laboratory of Analytical Chemistry for Life Science Jiangsu Key Laboratory of Advanced Organic MaterialsChemistry and Biomedicine Innovation Center(ChemBIC)School of Chemistry and Chemical EngineeringNanjing UniversityNanjing 210023China

Glycosyl radicals,produced under mild photoredox conditions,show unique utility in the preparation of C-linked *** herein report the construction of C-glycosidic bonds on α,β-dehydroalanine(DHA)of peptides with easily available glycosyl bromides as glycosyl radical precursors under highly anomeric control,leading to C-glycosylation modifications of *** method not only has outstanding functional group compatibility,but also is feasible in near-physiological conditions(pH~7 and temperature T≤37℃ in aqueous media).

关键词： Glycosylation C-Glycosides Glycopeptides Dehydroalanine Photoredox catalysis

Probing the electric double layer structure at nitrogen-doped graphite electrodes by constant-potential molecular dynamics simulations

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Journal of Energy Chemistry 2024年第6期93卷 299-305,I0008页

作者： Legeng yu Nan Yao yu-chen Gao Zhong-Heng Fu Bo Jiang Ruiping Li cheng Tang Xiang chen Tsinghua Center for Green Chemical Engineering Electrification(CCEE) Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Beijing Advanced Innovation Center for Materials Genome Engineering Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing 100083China National Materials Corrosion and Protection Data Center University of Science and Technology BeijingBeijing 100083China Ordos Carbon Neutral Research and Application Co. Ltd.Ordos 017010Inner Mongoli1China Institute for Carbon Neutrality Tsinghua UniversityBeijing 100084China Center for Next-Generation Energy Materials and School of Chemical Engineering Sungkyunkwan University2066 Seobu-roJangan-guSuwon-siGyeonggi-do 16419Republic of Korea

Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium ***,atomic insights into the EDL structures on heteroatom-modified graphite anodes and EDL evolution with electrode potential are very ***,a constant-potential molecular dynamics(CPMD)method is proposed to probe the EDL structure under working conditions,taking N-doped graphite electrodes and carbonate electrolytes as an *** interface model was developed,incorporating the electrode potential and atom *** a result,an insightful atomic scenario for the EDL structure under varied electrode potentials has been established,which unveils the important role of doping sites in regulating both the EDL structures and the following electrochemical reactions at the atomic ***,the negatively charged N atoms repel the anions and adsorb Li~+at high and low potentials,*** preferential adsorption suggests that Ndoped graphite can promote Li~+desolvation and regulate the location of Li~+*** CPMD method not only unveils the mysterious function of N-doping from the viewpoint of EDL at the atomic level but also applies to probe the interfacial structure on other complicated electrodes.

关键词： Lithium batteries Graphite N-doping Electric double layer Molecular dynamics Constant potential method Electrode potential

Cellular angiofibroma arising from the rectocutaneous fistula in an adult: A case report

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World Journal of Clinical Cases 2024年第10期12卷 1778-1784页

作者： Hao-En chen yu-Yang Lu Ruei-yu Su Hong-Hau Wang Chao-Yang chen Je-Ming Hu jung-cheng Kang Kuan-Hsun Lin Ta-Wei Pu Department of Surgery Taichung Armed Forces General HospitalTaichung 411Taiwan Department of Surgery Tri-Service General HospitalNational Defense Medical CenterTaipei 114Taiwan Department of Pediatrics Tri-Service General HospitalNational Defense Medical CenterTaipei 114Taiwan Department of Pathology Tri-Service General HospitalNational Defense Medical CenterTaipei 105Taiwan Department of Pathology and Laboratory Medicine Taoyuan Armed Forces General HospitalTaoyuan 32551Taiwan Department of Radiology Tri-Service General Hospital Songshan BranchNational Defense Medical CenterTaipei 105Taiwan Division of Colon and Rectal Surgery Department of SurgeryTri-Service General HospitalNational Defense Medical CenterTaipei 114Taiwan Division of Colon and Rectal Surgery Department of SurgeryTaiwan Adventist HospitalTaipei 105Taiwan Division of Thoracic Surgery Department of SurgeryTri-Service General HospitalNational Defense Medical CenterTaipei 114Taiwan Division of Colon and Rectal Surgery Department of SurgeryTri-Service General Hospital Songshan BranchNational Defense Medical CenterTaipei 105Taiwan

BACKGROUND Rectocutaneous fistulae are *** infection originates within the anal glands and subsequently extends into adjacent regions,ultimately resulting in fistula *** angiofibroma(CAF),also known as an angiomy ofibroblastoma-like tumor,is a rare benign soft tissue neoplasm predominantly observed in the scrotum,perineum,and inguinal area in males and in the vulva in *** describe the first documented case CAF that developed within a rectocutaneous fistula and manifested as a perineal *** SUMMARY In the outpatient setting,a 52-year-old male patient presented with a 2-year history of a growing perineal mass,accompanied by throbbing pain and minor scrotal *** examination revealed a soft,well-defined,non-tender mass at the left buttock that extended towards the perineum,without a visible *** initial assessment identified a soft tissue tumor,and the laboratory data were within normal *** and pelvic computed tomography(CT)revealed swelling of the abscess cavity that was linked to a rectal cutaneous fistula,with a track-like lesion measuring 6 cm×0.7 cm in the left perineal region and attached to the left *** examination found no significant inner orifices.A left medial gluteal incision revealed a thick-walled mass,which was excised along with the extending tract,and curettage was *** examination confirmed CAF *** patient achieved total resolution during follow-up assessments and did not require additional *** CT imaging supports perineal lesion diagnosis and *** angiofibromas,even with a cutaneous fistula,can be excised transperineally.

关键词： Angiofibroma Perineal mass Rectocutaneous fistula Anorectal fistula Anal fistula Case report

Near real-time gravitational wave data analysis of the massive black hole binary with TianQin

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Science China(Physics,Mechanics & Astronomy) 2024年第7期67卷 175-186页

作者： Hong-yu chen Xiang-yu Lyu En-Kun Li Yi-Ming Hu MOE Key Laboratory of TianQin Mission TianQin Research Center for Gravitational Physics&School of Physics and AstronomyFrontiers Science Center for TianQinGravitational Wave Research Center of CNSASun Yat-sen University(Zhuhai Campus)Zhuhai 519082China

Space-borne gravitational wave(GW)detectors can detect the merger of massive black *** early warning and localization of GW events before merging can be used to inform electromagnetic telescopes and conduct multimessenger ***,this requires real-time data transmission and analysis *** geocentric orbit of the space-borne GW detector Tian Qin makes it possible to conduct real-time data *** this study,we develop a search and localization pipeline for massive black hole binaries(MBHBs)with Tian Qin under both regular and real-time data transmission *** demonstrate that,with real-time data transmission,MBHBs can be accurately localized on the *** the approaching merger,each analysis can be finished in only 40 *** an MBHB system at a distance of 1 Gpc,if we receive data every hour,then we can pinpoint its location to within less than 1 deg^(2)on the final day before the merger.

关键词： gravitational wave detectors and experiments black holes data analysis algorithms and implementation data management

Integrating sequence and graph information for enhanced drug-target affinity prediction

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Science China(Information Sciences) 2024年第2期67卷 325-326页

作者： Haohuai HE Guanxing chen Calvin yu-Chian chen Artificial Intelligence Medical Research Center School of Intelligent Systems EngineeringShenzhen Campus of Sun Yat-sen University

Drug discovery is a pivotal discipline involving the identification and development of innovative pharmaceuticals designed to combat a wide array of illnesses. It plays a crucial role in advancing global health outcomes and improving the standard of living for individuals worldwide. However,drug discovery often relies on laborious in vitro experiments,

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Stability of water yield in watersheds

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Science China Earth Sciences 2024年第2期67卷 483-496页

作者： yu YAN Zhiyong LIU Xiaohong chen Liyan HUANG Center for Water Resources and Environment School of Civil EngineeringSun Yat-Sen UniversityGuangzhou510275China Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai) Zhuhai519082China

The hydrological system of a watershed is intricately influenced by both underlying characteristics and climate *** the variability in water yield is essential for effective water resources management and water security in the context of changing *** this study,we adopted the Budyko framework and leveraged simulations from the CMIP6 model to investigate the compensation effects of climate and underlying characteristics on watershed water *** on Taylor expansion and Budyko framework,we estimated the sensitivity of watershed water yield to climate and underlying characteristics(the first-and second-order partial derivatives).By combining external watershed characteristics(e.g.,water yield ratios and underlying characteristics)with internal sensitivity coefficients,this study further used vine copula and principal component analysis to quantify the stability of watershed water *** findings show:(1)Water-yield changes related to underlying characteristics could be offset by climate-related water-yield changes across all climate zones,maintaining the water yield ratio steady(i.e.,the compensation effects).(2)However,global watersheds will turn more sensitive to underlying characteristics and less sensitive to climate variation in the *** climate-and underlying-related sensitivities increase in watersheds with arid climates.(3)The stability of watershed water yield will gradually diminish in the *** 1901–1950to 2051–2100,the global stability of 280 watersheds drops from 0.054 to 0.021(i.e.,stability index identified by the joint probability).Particularly,the largest change in stability of water yield reaches-0.347±0.18 in arid *** semi-arid,semihumid,and humid regions,the changes are-0.039±0.010,-0.028±0.005,and-0.005±0.002,*** findings provide a reference for the future sustainable water resources development under climate change,highlighting the vulnerability of the water resources in ari

关键词： Hydrological system stability Compensation effects on water yield Sensitivities Budyko-Fu decomposition framework Global watersheds

Metal-to-insulator transition in platinum group compounds

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Rare Metals 2024年第8期43卷 3460-3474页

作者： yu-Xuan Xia Jian-Gang He Nuo-Fu chen Ji-Kun chen School of New Energy North China Electric Power UniversityBeijing102206China School of Mathematics and Physics University of Science and Technology BeijingBeijing 100083China Key Laboratory of Advanced Materials and Devices for PostMoore Chips(Ministry of Education) School of Materials Science and EngineeringJniversity of Science and Technology BeijingBeijing 100083China

The metal-to-insulator transition(MIT) as usually achieved in 3d-orbital transitional metal(TM) compounds opens up a new paradigm in correlated electronics via triggering abrupt variations in their transportation *** to such 3d-orbital TM compounds,the MIT within the platinum group(Pg) element compounds based on the 4d-and 5d-orbital configurations is more complicated,owing to their elevation in the spinorbit coupling and meanwhile weakened intra-atomic Coulomb *** brings in a new freedom to regulate the balance in their metallic or semiconductive orbital configurations,while their MIT properties can be potentially combined with their spintronic properties to enable new electronic ***,we review the electronic transport and MIT behaviors within the existing family of Pg-containing compounds,particularly those showing first-order MIT behaviors that can be useful in correlated *** is also hoped that summarizing the presently reported Pg-containing MIT compounds will lead to the discovery of more new material families and/or new mechanisms associated with the Pg-containing compounds showing MIT properties.

关键词： Metal-to-insulator transition Platinum group compounds Electron correlation Spin-orbital coupling

Molecular investigation into the transformation of recalcitrant dissolved organic sulfur in refinery sour water during stripping process

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Petroleum Science 2024年第3期21卷 2112-2119页

作者： yu-Guo Li chen He Chun-Mao chen Fan Liu Quan Shi State Key Laboratory of Heavy Oil Processing China University of PetroleumBeijing 102249China State Key Laboratory of Coal Mining and Clean Utilization Beijing 100013China PetroChina Ningxia Petrochemical Company Yinchuan 750021NingxiaChina

Refinery sour water primarily originates from the tops of towers in various units and coker condensate,and cannot be discharged directly to a wastewater treatment plant due to high levels of chemical oxygen demand(COD)and organic sulfur *** after the recovery of H_(2)S from the sour water by the stripping process,the effluent still contains a high concentration of dissolved organic sulfur(DOS),which can have a huge bad *** chemical composition of dissolved organic matter(DOM)in refinery wastewater has been extensively studied,the investigation of recalcitrant DOS from sour waters remains *** the present study,chemical composition of sour water DOMs(especially DOS)was investigated using fluorescence spectroscopy(excitation-emission matrix,EEM)and mass spectrometry,including gas chromatography-mass spectrometry(GC-MS)and high-resolution Orbitrap *** GC-MS and EEM results showed that volatile and low-aromaticity compounds were effectively removed during the stripping process,while compounds with high hydrophilicity and humification degree were found to be more *** Orbitrap MS results showed that weak-polar oxygenated sulfur compounds were easier to be removed than oxygenated ***,the effluent still contained significant amounts of sulfur-containing compounds with multiple sulfur atoms,particularly in the form of highly unsaturated and aromatic *** Orbitrap MS/MS results of CHOS-containing compounds from the effluent indicate that the sulfur atoms may exist as sulfonates,disulfide bonds,*** the composition and structure of sour water DOS is crucial for the development of effective treatment processes that can target polysulfide compounds and minimize their impact on the environment.

关键词： Molecular transformation Dissolved organic sulfur Stripping process Refinery sourwater Orbitrap MS

Organic interfacial engineering of gold nanowires for selective glycerol electrooxidation

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Chinese Chemical Letters 2024年第3期35卷 502-507页

作者： Zhe Wang Qingling Hong Boqiang Miao Tianjiao Wang yu Ding Pujun Jin Pei chen yu chen Key Laboratory of Macromolecular Science of Shaanxi Province Key Laboratory of Applied Surface and Colloid Chemistry(Ministry of Education)Shaanxi Key Laboratory for Advanced Energy DevicesSchool of Materials Science and EngineeringShaanxi Normal UniversityXi'an 710062China

The selective electrochemical conversion of glycerol into value-added products is a green and sustainable strategy for the biomass *** this work,Au nanowires(Au-NW)modified with polyethyleneimine(PEI)molecule(Au-NW@PEI)is obtained by an up-bottom post-modification *** characterization,molecular dynamics simulation and density functional theory demonstrate that the loose-packed PEI monolayer firmly and uniformly distribute on the Au-NW surface due to the strong Au-N *** experiments and product analysis display that PEI modification significantly enhance the electro-activity of Au-NW for the glycerol electro-oxidation reaction(GEOR)due to the electronic ***,the steric hindrance and electrostatic effect of PEI layer make the optimizing adsorption of intermediates ***,the selectivity of C3 product glyceric acid over Au-NW@PEI is increased by nearly 20%.The work thus indicates that the rational design of metal-organic interface can effectively elevate the electro-activity and selectivity of Au nanostructures,which may have wide application in biomass development.

关键词： Glycerol electrooxidation reaction Organic interface engineering Gold-based nanomaterials Electrocatalysis Selectivity