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Chinese Journal of Chemistry 2024年第7期42卷 705-710页

作者： Juan Wang Qing-Xian Xie Xiang li chang-Bin Yu Yong-Gui Zhou School of Chemistry Dalian University of Technology2 Linggong RoadDalianLiaoning 116024China State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalianLiaoning 116023China

The planar-chiral ligands have been widely applied as a class of unique and significant ligands in asymmetric *** them,chiral[2.2]paracycyclophane has emerged as a privileged type of planar-chiral framework and has been utilized as an important toolbox due to their structural ***,we design and synthesize[2.2]paracyclophane-derived oxazole-pyrimidine ligands(abberviated as PYMCOX).These N,N-ligands with stable properties,rigid structure and large steric hindrance performed successfully in nickel-catalyzed asymmetric 1,2-reduction ofα,β-unsaturated ketones,affording the chiral allylic alcohols with up to 99%yield and 99%***,this reduction reaction could be conducted on gram-scale without loss of activity and enantioselectivity,and the chiral ligand could be conveniently recovered with high yield.

关键词： Oxazole-pyrimidine ligands Planar chirality Nickel Hydroboration Asymmetric synthesis

A deep learning interatomic potential suitable for simulating radiation damage in bulk tungsten

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Tungsten 2024年第2期6卷 304-322页

作者： chang-Jie Ding Ya-Wei Lei Xiao-Yang Wang Xiao-lin li Xiang-Yan li Yan-Ge Zhang Yi-Chun Xu chang-Song liu Xue-Bang Wu Key Laboratory of Materials Physics Institute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei 230031China Science Island University of Science and Technology of ChinaHefei 230026China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China

So far, it has been a challenge for existing interatomic potentials to accurately describe a wide range of physical properties and maintain reasonable efficiency. In this work, we develop an interatomic potential for simulating radiation damage in body-centered cubic tungsten by employing deep potential, a neural network-based deep learning model for representing the potential energy surface. The resulting potential predicts a variety of physical properties consistent with first-principles calculations, including phonon spectrum, thermal expansion, generalized stacking fault energies, energetics of free surfaces, point defects, vacancy clusters, and prismatic dislocation loops. Specifically, we investigated the elasticity-related properties of prismatic dislocation loops, i.e., their dipole tensors, relaxation volumes, and elastic interaction energies. This potential is found to predict the maximal elastic interaction energy between two 1/2 loops better than previous potentials, with a relative error of only 7.6%. The predicted threshold displacement energies are in reasonable agreement with experimental results, with an average of 128 eV. The efficiency of the present potential is also comparable to the tabulated gaussian approximation potentials and modified embedded atom method potentials, meanwhile, can be further accelerated by graphical processing units. Extensive benchmark tests indicate that this potential has a relatively good balance between accuracy, transferability, and efficiency.

关键词： Machine learning deep learning Interatomic potential Radiation damage Tungsten

CsABF3-activated CsSUT1 pathway is implicated in pre-harvest water deficit inducing sucrose accumulation in citrus fruit

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Horticultural Plant Journal 2024年第1期10卷 103-114页

作者： Xiaochuan Ma Yuanyuan chang Feifei li Junfeng Yang li Ye Tie Zhou Yan Jin ling Sheng Xiaopeng Lu College of Horticulture Hunan Agricultural UniversityChangshaHunan 410128China National Center for Citrus Improvement ChangshaHunan 410128China Institute of Horticulture Hunan Academy of Agricultural ScienceChangshaHunan 410125China

Pre-harvest water deficit(PHWD)plays an important role in sugar accumulation of citrus ***,the mechanism is not known ***,it was confirmed that PHWD promoted sucrose accumulation of citrus fruit,but had limited effect on fructose,glucose and total acid.A sucrose transporter,Cs SUT1,which localizes to the plasma membrane,was demonstrated to function in sucrose transport induced by *** to wild-type,Cs SUT1 overexpression in citrus calli stimulated sucrose,fructose and glucose accumulation,while its silencing in juice sacs reduced sucrose *** sugar accumulation in transgenic lines enhanced plant drought tolerance,and resulted in decreased electrolyte leakage,malondialdehyde and hydrogen peroxide contents,as well as increased superoxide dismutase activity and proline *** abscisic acid(ABA)-responsive transcription factor,Cs ABF3,was found with a same expression pattern with Cs SUT1 under *** one-hybrid,electrophoretic mobility shift assay and dual-luciferase assays all revealed that Cs ABF3 directly bound with the Cs SUT1 promoter by ABA responsive *** Cs ABF3 was overexpressed in citrus calli,the sucrose,fructose and glucose concentration increased ***,transgenic studies demonstrated that Cs ABF3 could affect sucrose accumulation by regulating Cs ***,this study revealed a regulation of Cs ABF3 promoting Cs SUT1 expression and sucrose accumulation in response to *** results provide a detail insight into the quality formation of citrus fruit.

关键词： Citrus Water deficit Pre-harvest Sucrose CsABF3 CsSUT1

Camouflaging attenuated Salmonella by cryo-shocked macrophages for tumor-targeted therapy

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Signal Transduction and Targeted Therapy 2024年第2期9卷 709-723页

作者： Leyang Wu Zengzheng Du lin li liyuan Qiao Shuhui Zhang Xingpeng Yin Xiaoyao chang Chenyang li Zichun Hua The State Key Laboratory of Pharmaceutical Biotechnology and department of Neurology of Nanjing Drum Tower Hospital School of Life Sciences and The Affiliated Hospital of Nanjing University Medical SchoolNanjing UniversityNanjing 21008 JiangsuChina Nanjing Generecom Biotechnology Co. LtdNanjing 210023China changzhou High-Tech Research Institute of Nanjing University and Jiangsu TargetPharma Laboratories Inc Changzhou 213164 JiangsuChina School of Biopharmacy China Pharmaceutical UniversityNanjing 210023 JiangsuChina

live bacteria-mediated antitumor therapies mark a pivotal point in cancer ***,the difficulty in reconciling the safety and efficacy of bacterial therapies has limited their *** bacterial tumor-targeted delivery while maintaining biosafety is a critical hurdle for the clinical translation of live microbial therapy for ***,we developed“dead”yet“functional”Salmonella-loaded macrophages using liquid nitrogen cold shock of an attenuated Salmonella typhimurium VNP20009-contained macrophage cell *** obtained“dead”macrophages achieve an average loading of approximately 257 live bacteria per 100 *** engineered cells maintain an intact cellular structure but lose their original pathogenicity,while intracellular bacteria retain their original biological activity and are delay freed,followed by ***“Trojan horse”-like bacterial camouflage strategy avoids bacterial immunogenicity-induced neutrophil recruitment and activation in peripheral blood,reduces the clearance of bacteria by neutrophils and enhances bacterial tumor enrichment efficiently after systemic ***,this strategy also strongly activated the tumor microenvironment,including increasing antitumor effector cells(including M1-like macrophages and CD8+Teffs)and decreasing protumor effector cells(including M2-like macrophages and CD4+Tregs),and ultimately improved antitumor efficacy in a subcutaneous H22 tumor-bearing mouse *** cryo-shocked macrophage-mediated bacterial delivery strategy holds promise for expanding the therapeutic applications of living bacteria for cancer.

关键词： shock holds maintain

Citrinsorbicillin A,a novel homotrimeric sorbicillinoid isolated by LC-MS-guided with cytotoxic activity from the fungus Trichoderma citrinoviride HT-9

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Chinese Chemical Letters 2024年第8期35卷 299-303页

作者： Guo-Ping Yin Ya-Juan li li Zhang ling-Gao Zeng Xue-Mei liu chang-Hua Hu Engineering Research Center of Coptis development and Utilization(Ministry of Education) College of Pharmaceutical Sciences and Chinese MedicineSouthwest UniversityChongqing 400715China State Key Laboratory of Natural Medicines China Pharmaceutical UniversityNanjing 211198China NMPA Key Laboratory for Quality Monitoring of Narcotic Drugs and Psychotropic Substances Chongqing Institute for Food and Drug ControlChongqing 401121China

Citrinsorbicillin A(1),a novel homotrimeric sorbicillinoid,along with two new monomers citrinsor-bicillins B(2)and C(3),were isolated from the Coptis chinensis endophyte Trichoderma citrinoviride HT-9 by liquid chromatograph mass spectrometer(LC-MS)-guided strategy.1 was the first trimeric-example from terrestrial fungi,which possessed a unique carbon skeleton with two bicyclo[2.2.2]octanedione ring connected through an enolated carbon forming by[4+2]*** structures were elucidated by spectroscopic analysis and X-ray diffraction.1 exhibited moderate cytotoxicity against human colon cancer HT29 cells,and it induced significant cell cycle arrest by reducing the protein expression of cyclin D1.

关键词： Citrinsorbicillin A Trimeric sorbicillinoid Coptis chinensis endophyte Trichoderma citrinoviride [4+2]Cycloaddition Cytotoxic activity

Eco-friendly calcium alginate microspheres enable enhanced profile control and oil displacement

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Petroleum Science 2024年第3期21卷 1928-1943页

作者： Xiao-Han Zhang chang-Jing Zhou Yuan-Xiang Xiao Bo Hui Yong-Gang Xie Yu-Bin Su Xin-Ru li Jie Huang Mao-chang liu International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'an710049ShaanxiPR.China Shaanxi Key Laboratory of Advanced Stimulation Technology for Oil&Gas Reservoirs School of Petroleum EngineeringXi'an Shiyou UniversityXi'an 710065ShaanxiPR.China Oil&Gas Technology Research Institute Changqing Oilfield Branch CompanyPetroChinaXi'an710021ShaanxiPR China Suzhou Academy of Xi'an Jiaotong University Suzhou215123JiangsuPR China

Polymer microspheres(PMs),such as polyacrylamide,have been widely applied for enhanced oil recovery(EOR),yet with environmental ***,we report a microfluid displacement technology containing a bio-based eco-friendly material,i.e.,calcium alginate(CaAlg)microspheres for *** dominant mechanisms responsible for EOR over Ca Alg fluid have been verified,including the microscopic oil displacement efficacy augmented by regulating capillary force(determined by the joint action of interfacial tension and wettability between different phases)and macroscopic sweep volume increment through profile control and mobility ratio *** comprehensive effectiveness can be further impacted when the CaAlg microsphere is embellished ulteriorly by using appropriate amount of sodium dodecyl sulfonate(SDS).The core flooding and nuclear magnetic resonance(NMR)tests demonstrate that CaAlg-SDS microsphere can balance the interphase property regulation(wettability alteration and IFT reduction)and rheology properties,enabling simultaneous profile control and oil *** introduction of SDS will have a negative impact on rheological properties,which is not favored for *** results show that the involvement of 4-m M SDS will provide the best behavior,with an EOR rate of 34.38%.This cost-effective and environmentally-friendly bio-microspherebased microfluidic displacement technology is expected to achieve“green”oil recovery in future oilfield exploitation.

关键词： Calcium alginate microspheres Wettability Interfacial tension Rheology Viscoelasticity Enhanced oil recovery(EOR)

Al-doped ZnO/WO_(3) heterostructure films prepared by magnetron sputtering for isopropanol sensors

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Rare Metals 2024年第1期43卷 247-256页

作者： Wei-Xiang Gao Xue-Ting chang Xiao-Jie Zhu Jun-Feng li Ying-chang Jiang Dong-Sheng Wang Chuan-Xiao Yang Shi-Bin Sun College of Logistics Engineering Shanghai Maritime UniversityShanghai 201306China College of Ocean Science and Engineering Shanghai Maritime UniversityShanghai 201306China Institute of Logistics Science and Engineering Shanghai Maritime UniversityShanghai 201306China

Metal oxide semiconductors(MOSs) are ideal sensing materials for detecting volatile organic compounds due to their low cost, diversity, high stability, and ease of production. However, it remains a grand challenge to develop the MOSs-based gas sensors for sensing isopropanol with desired performance via a simple, effective,and controllable method. Herein, we reported the preparation of the Al-doped Zn O(AZO)/WO_(3) heterostructure films by directly depositing the AZO coating onto the WO_(3) coating using a strategy of magnetron sputtering. The AZO/WO_(3) heterostructure films were constructed by numbers of irregular nanoparticles that were interconnected with each other. The AZO/WO_(3) heterostructure films-based gas sensors exhibited excellent isopropanolsensing performance with high response, promising selectivity, low detection limit, fast response rate, wide detection range, and ideal reproducibility. The promising isopropanol-sensing performance of the AZO/WO_(3) heterostructure films arises mainly from their high uniformity, unique microstructures with high surface roughness,and the construction of the heterostructure between the AZO and WO_(3) coatings. This work provides a versatile approach to prepare the MOSs-based heterostructure films for assembling the gas sensors.

关键词： Metal oxide semiconductors Gas sensors Aldoped ZnO/WO_(3) Heterostructure films Isopropanol Magnetron sputtering

Comprehensive evaluation of an ionic liquid based deep purification process for NH_(3)-containing industrial gas

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Journal of Environmental Sciences 2024年第2期136卷 698-708页

作者： Guoxiong Zhan Fei Cao Jianjun Chen Zhen Chen Yuanmeng Duan Fei chang Shaojuan Zeng Yinge Bai Zengxi li Xiangping Zhang Junhua li State Key Joint Laboratory of Environment Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing 100084China Sino-Danish College University of Chinese Academy of SciencesBeijing 100049China Institute of Process Engineering Chinese Academy of SciencesBeijing 100190China College of Chemical and Engineering University of Chinese Academy of SciencesBeijing 100049China

Ammonia(NH_(3))emission has caused serious environment issues and aroused worldwide *** emerging ionic liquid(IL)provides a greener way to efficiently capture NH_(3).This paper provides rigorous process simulation,optimization and assessment for a novel NH_(3)deep purification process using *** process was designed and investigated by simulation and optimization using ionic liquid[C_(4)im][NTF_(2)]as *** objective functions,total purification cost(TPC),total process CO_(2)emission(TPCOE)and thermal efficiency(ηeff)were employed to optimize the absorption *** simulation and optimization results indicate that at same purification standard and recovery rate,the novel process can achieve lower cost and CO_(2)emission compared to benchmark *** process optimization,the optimal functions can achieve 0.02726$/Nm~3(TPC),311.27 kg CO_(2)/hr(TP-COE),and 52.21%(ηeff)for enhanced ***,compared with conventional process,novel process could decrease over$3 million of purification cost and 10000 tons of CO_(2)emission during the life *** results provide a novel strategy and guidance for deep purification of NH_(3)capture.

关键词： NH_(3) Capture Process Ionic liquid Process Simulation Process Optimization deep purification

lithiophilic CoF2@C hollow spheres towards spatial lithium deposition for stable lithium metal batteries

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Journal of Energy Chemistry 2024年第10期97卷 55-67页

作者： Jianxing Wang Shuhao Yao Runming Tao Xiaolang liu Jiazhi Geng chang Hong Huiying li Guiyun Yu Haifeng li Xiao-Guang Sun Jianlin li Jiyuan liang School of Optoelectronic Materials & Technology Jianghan University Institute for Advanced Materials and Manufacturing University of Tennessee Applied Materials Division Argonne National Laboratory School of Chemistry & Chemical Engineering Yancheng Institute of Technology Chemical Sciences Division Oak Ridge National Laboratory

lithium metal（LM） is a promising anode for next-generation batteries due to its high theoretical capacity and low electrode ***,side reactions,volume change,and unwanted lithium dendrite growth seriously limit the practical application of ***,with the aid of a hard template approach,a novel lithiophilic CoF2-carbon hollow sphere（CoF2@C-HS） composite material is successfully prepared via a facile in-situ fluorination and etching *** lithiophilic CoF2acts as nucleation sites to reduce nucleation overpotential as well as induces the spatial li deposition and the formation of liFrich solid electrolyte interphase（SEI）,and the hollow carbon matrix can enhance the electrical conductivity and offer free space for LM *** simulations reveal that the synergistic effect of lithiophilic CoF2and hollow carbon matrix homogenizes the electric field distribution and li+*** from these advantages,the CoF2@C-HS-modified copper substrate electrode delivers an enhanced Coulombic efficiency（CE） of 93.7% for 280 cycles at 1 mA cm-2and 1 mA h *** symmetrical cell using CoF2@C-HS can stably cycle more than 1800 h with a low voltage hysteresis of 11 mV at a current density of 0.5 MA cm-2and an areal capacity of 0.5 mA h ***,the li@CoF2@C-HS composite anode enables more than 300 stable cycles at 1 C with a capacity retention of 95% in liFePO4-based full cell and 110 stable cycles at 1 C in liNi0.8Co0.1Mn0.1O2（NCM811）-based highvoltage full *** work might shed a new light on designing lithiophilic hosts to spatially confine LM deposition,realizing dendrite-free LM anodes and the practical applications of LM batteries.

关键词： lithiophilic CoF2 lithium metal anode Nanocomposite Spatial deposition, Stability

changes of the trace metals in ice core during 1915-2016 in coastal eastern Antarctica

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Advances in Climate change Research 2024年第4期15卷 596-608页

作者： Jing-Wen liU Chuan-Jin li Gui-Tao SHI Yan liU Zhi-Heng DU Ming-Hu DING Shao-Peng GAO Cun-de XIAO Shi-chang KANG Bo SUN State Key Laboratory of the Cryosphere Science Northwest Institute of the Eco-Environment and ResourcesChinese Academy of SciencesLanzhou730000China University of Chinese Academy of Sciences Beijing 100049China Key Laboratory for Polar Science of State Oceanic Administration Polar Research Institute of ChinaShanghai 200136China Key Laboratory of Geographic Information Science(Ministry of Education) School of Geographic Sciences and Institute of Eco-ChongmingEast China Normal UniversityShanghai 200241China Institute of Tibetan Plateau and Polar Regions Meteorology Chinese Academy of Meteorological SciencesBeijing 100081China Key Laboratory of Tibetan Environment changes and Land Surface Processes Instituie of the Tibetan PlateauChinese Academy of SciencesBeijing 100101China State Key Laboratory of Earth Surface Processes and Resource Ecology Beijing Normal UniversityBeijing 100875China

Antarctic trace metal records provide important information for grasping the influence of human activities on the environment over the last *** CA2016-75 ice core is located along the East Antarctic Zhongshan Station-Dome A,enhances the record of metals research in the East Antarctic region,and its high-resolution supplies data support for the study of high-frequency climatic drivers and the effect of human activities on the Antarctic environment.A thorough dataset on seven trace metals(Al,Fe,Mn,Cu,Zn,Ba and Pb)in a coastal ice core in eastern Antarctica during the previous 102 years(1915-2016)is presented in this *** has the lowest concentration(9.51±20.95 pg g^(-1)),and Ba has the highest concentration(36.57±51.35 ng g^(-1)).Notable variations are observed between the pre-1968 AD and post-1968 AD phases for Mn,Zn and *** abrupt,remarkable increase in the concentrations coincided with the change of metal smelting production in the southern *** addition to this,it may also be related to local Antarctic scientific research *** and Fe,the primary crustal elements,are essentially obtained from soil dust;Cu shows high crustal enrichment factors(EFc,>10),indicating that it is notably affected by anthropogenic ***,the anthropogenic activities in the Southern Hemisphere have had an impact on lead deposition in *** study not only enriches the trace metal historical record along the Zhongshan Station-Dome A but also provides a high-resolution ice core record,which is very crucial for the reconstruction of trace metal concentration changes in the last 100 years.

关键词： Eastern Antarctica Ice core Trace metals Human activities