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Integrating serum pharmacochemistry,network pharmacology and metabolomics analysis to explore the possible mechanism of Qingjiehuagong decoction in the treatment of acute pancreatitis

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Traditional Medicine Research 2023年第9期8卷 49-71页

作者： Bai-Jun Qin Min-Chao Feng Chi Zhang xian-zhong bu Wen-Hao Gong Yue-Qiao Chen Yan Tang Hui Li Kun-Rong Liu Guo-zhong Chen Xi-Ping Tang Department of Gastroenterology Chongqing Traditional Chinese Medicine HospitalChongqing 400011China Guangxi Key Laboratory of Molecular Biology of Traditional Chinese Medicine and Preventive Medicine Nanning 530000China Department of Orthopedics Ruikang Hospital Affiliated to Guangxi University of Chinese MedicineNanning 530000China Department of Gastroenterology The First Affiliated Hospital of Guangxi University of Chinese MedicineNanning 530000China Department of Endoscopy Center Cancer Hospital Affiliated to Guangxi Medical UniversityNanning 530000China

Background:The Qingjiehuagong decoction(QJHGD),which has been used in clinical trials to treat acute pancreatitis(AP),has demonstrated encouraging ***:In this particular investigation,we used both metabolomics and network pharmacology to investigate the fundamental processes and targets that QJHGFD employs to cure ***:Using a cerulein-induced rat model of AP,we showed that QJHGD effectively improved pancreatic tissue damage and reduced serum levels of AMY,LPS,IL-1β,IL-6,IL-8 and TNF-α.In total,28 blood entry compounds derived from QJHGD were identified by ultra-performance liquid chromatography-high resolution mass spectrometry *** intersecting target genes of 108 genes associated with identified compounds in QJHGD and AP disease genes were identified using a network pharmacology *** protein interaction network revealed AKT1,TNF-α,IL-6,VEGFA,and TP53 as important *** ontology analysis showed that response to stimulus,molecular function regulator and organelle part were the main functions,and Kyoto Encyclopedia of Genes and Genomes analysis showed that 20 pathways such as AGE-RAGE signaling pathway in diabetic complications and the IL-17 signaling pathway were the main pathways involved in the anti-AP effects of ***-two potential metabolic markers and 13 possible metabolic pathways were identified by metabolomics *** network pharmacological analysis revealed that QJHGD affects four metabolic pathways(tryptophan metabolism;glycolysis and gluconeogenesis metabolism;valine,leucine and isoleucine degradation metabolism;the urea cycle and metabolism of arginine,proline,glutamate,aspartate and asparagine),five metabolites(indole-3-acetate,pyruvate,methylmalonate,L-citrulline,N-acetyl-l-glutamate)and four related targets(AKT1,ALDH2,NOS2,NOS3)to combat *** strong affinity of QJHGD’s interactions with its primary targets was established by molecular docking and molecular dynamics simulations.C

关键词： acute pancreatitis Qingjiehuagong decoction metabolomics network pharmacology

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Effective recovery of chalcopyrite at low temperatures using modified ester collector

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Transactions of Nonferrous Metals Society of China 2022年第1期32卷 296-306页

作者： xian-zhong bu Yuan-yuan FENG Ji-wei XUE Lu YANG Chong-hui ZHANG School of Resources Engineering Xi’an University of Architecture and TechnologyXi’an 710055China Key Laboratory of Plateau Mineral Processing Engineering and Comprehensive Utilization in Qinghai Province Xining 810000China State Key Laboratory of Mineral Processing Beijing 100260China

The effect of a modified ester collector named as BL on the flotation of chalcopyrite at low temperatures was investigated by micro-flotation tests,contact angle measurements,adsorption experiments,laser particle size analysis,cryogenic transmission electron microscopy(Cryo-TEM)and Fourier transform infrared(FTIR)***-flotation tests proved that the collecting ability of BL for chalcopyrite was significantly better than that of N,N-diethyl dithiocarbamate propiononitrile ester(ester-105)at low *** with laser particle size,Cryo-TEM and FTIR analyses,it was found that the particle size of BL in water was smaller than that of ester-105,and the distributed density of BL was higher than that of ester-105 at low temperatures,indicating that BL dispersed well at low ***,BL was more easily adsorbed on the chalcopyrite surface and improved the surface hydrophobic degree of chalcopyrite,which were also confirmed by the contact angle measurements and adsorption experiments.

关键词： modified ester collector chalcopyrite flotation collecting ability dispersivity low temperature reagent synthesis

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Recent advances and perspectives of metal/covalent-organic frameworks in metal-air batteries

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Journal of Energy Chemistry 2021年第12期30卷 113-129,I0003页

作者： Ming zhong Ming Liu Na Li xian-He bu School of Materials Science and Engineering Tianjin Key Laboratory of Metal and Molecule-Based Material ChemistryNankai UniversityTianjin 300350China State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Lanzhou University of TechnologyLanzhou 730050GansuChina College of Chemistry Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education)Nankai UniversityTianjin 300071China

Metal-air batteries(MABs)have attracted considerable attention as a novel energy technology that can alleviate the severe energy crisis and environmental *** primary processes,including oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)occur on the air cathode and dominate the battery performance during battery charging and ***,metal-organic frameworks(MOFs)and covalent-organic frameworks(COFs)emerge as promising cathode catalysts due to their structure and composition *** unique characteristics of MOFs and COFs contribute to improved *** review mainly summarizes the recent applications of MOFs and COFs in a series of MABs,mainly including lithium-and zinc-air ***,some critical issues are emphasized regarding MOFs and COFs used in other MABs limited progress,their fabrication and alternatives to potential problems.

关键词： Metal-organic frameworks Covalent-organic frameworks Li-air batteries Zn-air batteries Active sites

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金属卤素钙钛矿CsPbBr3的电声耦合输运特性研究

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原子与分子物理学报 2025年第2期42卷 169-174页

作者：杨帆周贤中广东工业大学集成电路学院广州510006

金属卤素钙钛矿CsPbBr_(3)在发光方面(Light emitter)的优良表现吸引了许多人把它作为下一代发光、显示与量子信息的可选材料,但其关键的漂移迁移率会受到声子限制.本文将以第一性原理计算得到CsPbBr_(3)的包括极性光学声子(Polar optic... 详细信息

金属卤素钙钛矿CsPbBr_(3)在发光方面(Light emitter)的优良表现吸引了许多人把它作为下一代发光、显示与量子信息的可选材料,但其关键的漂移迁移率会受到声子限制.本文将以第一性原理计算得到CsPbBr_(3)的包括极性光学声子(Polar optical phonon)在内的电声耦合特性,然后使用线性玻尔兹曼方程给出在电场下的解,从而得出漂移迁移率.在论文详述中会给出CsPbBr_(3)的各向异性载流子输运特性的研究,为金属卤素钙钛矿的应用提供一些必要信息.

关键词：第一性原理计算电子-声子耦合漂移迁移率

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Hemoglobin integrated red blood cell membrane-coated metalorganic framework nano-platform for improving the self-adaptive blood glucose management

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Nano Research 2025年第1期18卷 618-627页

作者： Shuai Wu Li Zhu Sheng Ni Xiong Zhao Meng Yan Yuan zhong Karissa Kusuma Yi Liang Kaiwen Bao Kai Qu xian Qin Kun Zhang Wuquan Deng Da Sun Wei Wu Key Laboratory of Biorheological Science and Technology Ministry of EducationCollege of BioengineeringChongqing UniversityChongqing 400044China Chongqing University Three Gorges Hospital Chongqing Municipality Clinical Research Center for Endocrinology and Metabolic DiseasesChongqing 404000China Institute of Life Sciences&Biomedical Collaborative Innovation Center of Zhejiang Province Wenzhou UniversityWenzhou 325035China Department of Endocrinology School of MedicineChongqing Emergency Medical CenterChongqing University Central HospitalChongqing 400014China

Diabetes,a prevalent chronic metabolic disorder,often leads to severe ***,existing treatment methods may pose life-threatening risks due to poor patient compliance and inaccurate dosing of subcutaneous insulin ***,a biomimetic red blood cell(RBC)membrane-coated glucose-responsive nanoplatform is developed for controlling insulin *** nanoplatforms with RBC membrane can prolong the half-life of nano-formulation in vivo mediated by the biomimetic immune ***,the cascade catalytic effect of glucose oxidase(GOx)encapsulated in metal-organic frameworks(MOFs)and hemoglobin(Hb)in the RBC membrane are able to not only facilitate glucose-responsive insulin release,but also eliminate the detrimental by-product hydrogen peroxide(H_(2)O_(2))resulting from the Hb mediated H_(2)O_(2)*** in vitro and in vivo studies have demonstrated the favorable glucose-responsive performances of this advanced nano-platform with a single intravenous injection maintaining blood glucose balance in Type 1 Diabetes(T1D)mice for an extended duration without the hypoglycemia ***,this biomimetic insulin delivery system is poised to function as a strategy for the intravenous insulin administration,offering a promising drug candidate for the self-adaptive long-term T1D treatment.

关键词： glucose-responsive metal-organic frameworks red blood cell membrane insulin delivery glucose oxidase hemoglobin

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β-Ga_(2)O_(3)热电性能的第一性原理计算

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原子与分子物理学报 2025年第1期42卷 180-188页

作者：邓南发周贤中广东工业大学集成电路学院广州510006

通过使用第一性原理计算方法和玻尔兹曼输运理论,计算了β-Ga_(2)O_(3)的电学、热学和热电性质,并得出了热电性能因子随载流子浓度和温度的变化规律.此外,还考虑了声子散射和极性光学声子散射对平均电子弛豫时间的影响,并详细描述了不... 详细信息

通过使用第一性原理计算方法和玻尔兹曼输运理论,计算了β-Ga_(2)O_(3)的电学、热学和热电性质,并得出了热电性能因子随载流子浓度和温度的变化规律.此外,还考虑了声子散射和极性光学声子散射对平均电子弛豫时间的影响,并详细描述了不同载流子浓度和温度下β-Ga_(2)O_(3)的Seebeck系数、电导率、电热导率和功率因数的计算结果.最后,给出了β-Ga_(2)O_(3)的热电性能因子随载流子浓度和温度的变化趋势.结果表明,在高载流子浓度和高温下,β-Ga_(2)O_(3)具有较高的热电性能因子.

关键词： Ga_(2)O_(3) 第一性原理计算波尔兹曼输运理论热电性质

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‘All-in-one’ strategy for metalla[3]catenanes and ring-in-ring complex

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National Science Review 2021年第5期8卷 14-15页

作者： xian-He bu School of Materials Science and Engineering National Institute for Advanced MaterialsNankai University

Research into mechanically interlocked molecules, such as catenanes, rotaxanes and molecular knots, has been gaining momentum in recent decades, not only because of their intriguing structures and topological importance, but also because of their important applications as molecular machines and nanoscale devices [1,2]. In addition to traditional organic macrocycles based on covalent bonds,

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Removable urea solves the COF dilemma

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Science China Chemistry 2022年第7期65卷 1221-1222页

作者： xian-He bu School of Materials Science and Engineering Nankai UniversityTianjin 300350China

Since the first report in 2005 [1], covalent organic frameworks(COFs) have become a major platform for materials design owing to their high crystallinity, low density, large surface area, tailorable pore aperture, and versatile molecular architecture, which has attracted wide attention in gas storage, separation, electronics, and catalysis [2–5].

关键词： versatile catalysis separation

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The deep mantle upwelling beneath the northwestern South China Sea:Insights from the time-varying residual subsidence in the Qiongdongnan Basin

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Geoscience Frontiers 2021年第6期12卷 223-235页

作者： zhong-xian Zhao Key Laboratory of Ocean and Marginal Sea Geology South China Sea Institute of OceanologyInnovation Academy of South China Sea Ecology and Environmental EngineeringChinese Academy of SciencesGuangzhou 511458China Laboratory for Marine Mineral Resources Qingdao National Laboratory for Marine Science and TechnologyQingdao 266237China Southern Marine Science and Engineering Guangdong Laboratory Guangzhou 511458China Key Laboratory of Marine Mineral Resources Ministry of Natural ResourcesGuangzhou 510760China

Deep hot mantle upwelling is widely revealed around the Qiongdongnan Basin on the northwestern South China Sea margin. However, when and how it influenced the hyper-extended basin is *** resolve these issues, a detailed analysis of the Cenozoic time-varying residual subsidence derived by subtracting the predicted subsidence from the backstripped subsidence was performed along a new seismic reflection line in the western Qiongdongnan Basin. For the first time, a method is proposed to calculate the time-varying strain rates constrained by the faults growth rates, on basis of which, the predicted basement subsidence is obtained with a basin-and lithosphere-scale coupled finite extension model, and the backstripped subsidence is accurately recovered with a modified technique of backstripping to eliminate the effects of later episodes of rifting on earlier sediment thickness. Results show no residual subsidence in 45–28.4 Ma. but after 28.4 Ma, negative residual subsidence occurred, reached and remained ca. -1000 m during 23–11.6 Ma, and reduced dramatically after 11.6 Ma. In the syn-rift period(45–23 Ma), the residual subsidence is ca. -1000 m, however in the post-rift period(23–0 Ma),it is positive of ca. 300 to 1300 m increasing southeastwards. These results suggest that the syn-rift subsidence deficit commenced at 28.4 Ma, while the post-rift excess subsidence occurred after 11.6 *** with previous studies, it is inferred that the opposite residual subsidence in the syn-and post-rift periods with similar large wavelengths(>10^(2) km) and km-scale amplitudes are the results of transient dynamic topography induced by deep mantle upwelling beneath the central QDNB, which started to influence the basin at ca. 28.4 Ma, continued into the Middle Miocene, and decayed at ca.11.6 Ma. The initial mantle upwelling with significant dynamic uplift had precipitated considerable continental extension and faulting in the Late Oligocene(28.4–23 Ma). After ca. 11.6 Ma, s

关键词： Residual subsidence Deep mantle upwelling Strain rate Qiongdongnan Basin Northwestern South China Sea margin

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有机金属卤化物钙钛矿CH_(3)NH_(3)PbBr_(3)的各向异性Rashba效应

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原子与分子物理学报 2025年第6期42卷 153-158页

作者：蔡锦鸿余达明周贤中广东工业大学集成电路学院广州510006

本研究通过密度泛函理论结合全相对论赝势对钙钛矿CH_(3)NH_(3)PbBr_(3)中的各向异性Rashba效应进行了深入研究.发现,Pb-Br八面体的畸变引起了导带最小间隙的三重态在自旋轨道耦合(SOC)效应和晶格形变下的分裂,导致在不同方向上呈现出... 详细信息

本研究通过密度泛函理论结合全相对论赝势对钙钛矿CH_(3)NH_(3)PbBr_(3)中的各向异性Rashba效应进行了深入研究.发现,Pb-Br八面体的畸变引起了导带最小间隙的三重态在自旋轨道耦合(SOC)效应和晶格形变下的分裂,导致在不同方向上呈现出强烈的各向异性.Rashba带分裂的最大系数可达2.0 eV?,并通过分析能级和电荷密度分布解释了Rashba效应的形成机制.这些研究结果有助于深化对CH_(3)NH_(3)PbBr_(3)性质的理解,同时为其在自旋电子学领域的潜在应用提供了理论基础.

关键词：钙钛矿 CH_3NH_3PbBr_3 密度泛函理论自旋轨道耦合

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