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Integration of network pharmacology and bone marrow mesenchymal stem cells experimental research to reveal the molecular mechanisms for Hai Honghua medicinal liquor against osteoporosis

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Integrative Medicine Discovery 2024年第3期8卷 1-11页

作者： Die Qian Chi Xu cheng-xun he Mei-Yan Li Juan Guo Hong Zhang School of Pharmacy Chengdu University of Traditional Chinese MedicineChengdu 611137China Department of Orthopedics Longquan Hospital of Chengdu University of Traditional Chinese MedicineChengdu 610017China Institute of Interdisciplinary Integrative Medicine Research Shanghai University of Traditional Chinese MedicineShanghai 201203China

Background:Hai Honghua medicinal liquor(HHML)formula has been used in clinical practice for a long time,mainly for the treatment of freshly closed fractures,to promote osteogenesis,to increase bone mass,and thus to promote fracture ***,the underlying mechanisms of HHML in the treatment of osteoporosis(OP)are still ***:Firstly,Traditional Chinese Medicines Systems Pharmacology Database and Analysis Platform and The Encyclopedia of Traditional Chinese Medicine were used to screen the targets of the active compounds of *** the same time,OP targets were identified through GeneCards,Online Mendelian Inheritance in Man,DisGeNET,Therapeutic Target Database,Comparative Toxicogenomics Database and Human Phenotype Ontology ***,protein-protein interaction and pathway networks were constructed for compound-disease common targets,and core targets and compounds were screened for molecular ***,rat bone marrow mesenchymal stem cells were extracted as model cells,and the osteogenic effects of HHML were verified via in vitro ***:Total of 343 common targets of HHML-OP and the top 10 target proteins in the protein-protein interaction network are TP53,AKT1,STAT3,HSP90AA1,ESR1,TNF,IL6,MAPK1,MAPK3 and *** analysis yielded that the key molecular pathway was the PI3K/Akt signaling *** docking analysis showed that baicalein,erysodienone and naringenin docked with the target proteins AKT1,STAT3 and TP53,respectively,with low binding energy and high *** addition,In vitro experiments demonstrated that HHML promoted the proliferation of bone marrow mesenchymal stem cells;compared with the control group,HHML-treated cells showed enhanced alkaline phosphatase staining,promoted the expression of OCN,RUNX2,BSP,and COL1 mRNAs as well as the expression of PI3K and AKT phosphorylated ***,the expression of target proteins revealed that HHML promoted the phosphorylation of STAT3 protein

关键词： Hai Honghua medicinal liquor osteoporosis network pharmacology molecular docking PI3K/AKT signal pathway

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Yiqi Tongluo capsule has protective effects against non-alcoholic fatty liver disease via regulating PI3K/AKT signaling

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Integrative Medicine Discovery 2024年第1期8卷 1-9页

作者： Mei-Yan Li cheng-xun he Ling-Yu Wang Die Qian Si-Rong Zhang Yu Chen Run-Chun Xu School of Pharmacy Chengdu University of Traditional Chinese MedicineChengdu 611137China Department of Cardiovascular Medicine Guangyuan Hospital of Traditional Chinese MedicineGuangyuan 628000China

Background:Oxidative stress is one of the key elements in the progression of non-alcoholic fatty liver disease(NAFLD),and Yiqi Tongluo capsule(YTC)have a variety of physiological activities which include *** purpose of this investigation was to discover the potential mechanisms of YTC ameliorates ***:In this investigation,a high-fat diet(HFD)was adopted to establish a NAFLD mouse *** samples were stained for oil red O and hematoxylin and eosin *** levels of total cholesterol(TC),triglyceride(TG),malondialdehyde(MDA),and superoxide dismutase(SOD)in the tissues were also *** pharmacology was analyzed to filter out the key ingredients and targets of effect of YTC for the therapy of ***,free fatty acids(FFA)was applied to induce Aml12 cells for in vitro experiments,and the cell samples were stained with oil red O and assayed for TC,TG,MDA,and SOD *** last,the Western blot technique was used to illuminate the pathway by which YTC plays a protective role against ***:Histopathological results demonstrated that YTC ameliorated tissue damage in the HFD-induced mouse *** the same time,it also reduced the contents of TC,TG,MDA and increased the expression of SOD in the liver tissue of NAFLD mouse *** of these findings demonstrate that YTC can play a role in the treatment of NAFLD by ameliorating oxidative *** analysis of YTC ameliorates NAFLD mainly by modulating the PI3K-Akt signaling ***-up in vitro experiments revealed that FFA caused lipid accumulation in Aml12 cells,which was dramatically reduced by ***,YTC could remarkably reduce the FFA-induced elevation of TC,TG,and MDA contents,and reverse the FFA-induced reduction of SOD *** blot was verified for the PI3K-Akt signaling *** was found that FFA could remarkably decrease the expression of p-PI3K,p-Akt,and p-GSK-3βproteins,which could be significantly increased after YTC treat

关键词： Yiqi Tongluo capsule non-alcoholic fatty liver disease oxidative stress PI3K-Akt-GSK-3β Aml12 cells

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Reduction of dinitrogen to ammonia on doped three-atom clusters Nb_(2)M(M=Sc to Cu & Y to Ag)

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Rare Metals 2024年第8期43卷 3810-3818页

作者： Ran cheng Chao-Nan Cui Zhi-xun Luo Beijing National Laboratory for Molecular Science(BNLMS) State Key Laboratory for Structural Chemistry of Unstable and Stable SpeciesInstitute of ChemistryChinese Academy of SciencesBeijing 100190China School of Chemical Science University of Chinese Academy of SciencesBeijing 100049China

Catalytic reduction of dinitrogen to ammonia under mild conditions remains an attractive topic for the purpose of lowering energy ***-atom metal clusters have been proved an ideal model to explore highly efficient catalysts taking advantage of unique geometric/electronic structures and cooperative active *** a study of N2 activation and reduction on seventeen bimetallic Nb_2M(M=Sc to Cu,and Y to Ag) clusters was *** key processes for ammonia fixation(namely nitrogen activation,hydrogenation,and ammonia desorption) are fully studied,and three preferred systems(Nb_2Ni,Nb_2Rh and Nb_2Pd) are highlighted with outstanding catalytic *** d-σ and d-π~* orbital hybridizations between these metal clusters and N_(2) were demonstrated and the internal association with the N≡N bond activation was *** examining the ammonia synthesis on four chosen Nb_(2)M clusters(M=Fe,Ni,Rh and Pd),it can be elucidated that the distal pathway is more favorable than the alternative pathway in these *** work not only clarifies the N_(2) reduction on the bimetallic Nb_(2)M clusters,but also guides efficient bimetallic catalyst design.

关键词： Three-atom cluster catalysis Three-criteria strategy Nitrogen fixation Ammonia synthesis Theoretical calculations

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Honeycomb-like biochar framework coupled with Fe_(3)O_(4)/FeS nanoparticles as efficient heterogeneous Fenton catalyst for phenol degradation

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Journal of Environmental Sciences 2024年第2期136卷 390-399页

作者： Aihua cheng Yi he Xiaohe Liu Chi he Department of Environmental Engineering College of Geology and EnvironmentXi’an University of Science and TechnologyXi’an 710054China State Key Laboratory of Multiphase Flow in Power Engineering School of Energy and Power EngineeringXi’an Jiaotong UniversityXi’an 710049China National Engineering Laboratory for VOCs Pollution Control Material and Technology University of Chinese Academy of SciencesBeijing 101408China

Achieving an efficient and stable heterogeneous Fenton reaction over a wide pH range is of great significance for wastewater ***,a pollen-derived biochar catalyst with a unique honeycomb-like structure,coupled with the dispersion of magnetic Fe_(3)O_(4)/FeS(Fe/S)nanoparticles,was synthesized by simple impregnation precursor,followed by *** prepared Fe/S-biochar catalyst demonstrated outstanding phenol degradation efficiency across a wide pH range,with 98%of which eliminated even under neutral conditions(pH 7.0).The high catalytic activity was due to the multilevel porous structure of pollenderived biochar provided enough active sites and allowed for better electron transfer,then increases oxidation ability to promote the ***,the acid microenvironment formed by SO_(4)^(2-)group from Fe/S composite extended the pH range for Fenton reaction,and S^(2-)facilitated the conversion of≡Fe^(3+)to≡Fe^(2+),resulting in remarkable degradation ***,biochar can effectively promote cycling stability by limiting Fe *** work may provide a general strategy for designing 3D framework biochar-based Fe/S catalysts with excellent performance for heterogeneous Fenton reactions.

关键词： Biomass Biochar Fenton reaction Fe_(3)O_(4)/FeS(Fe/S) Phenol degradation

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The Minimum Centroid Branch Spanning Tree Problem

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Journal of the Operations Research Society of China 2024年第2期12卷 528-539页

作者： Hao Lin cheng he School of Science Henan University of TechnologyZhengzhou450001HenanChina

For a spanning tree T of graph G,the centroid of T is a vertex v for which the largest component of T-v has as few vertices as *** number of vertices of this component is called the centroid branch weight of *** minimum centroid branch spanning tree problem is to find a spanning tree T of G such that the centroid branch weight is *** application to design of communication networks,the loads of all branches leading from the switch center should be as balanced as *** this paper,we prove that the problem is strongly NP-hard even for bipartite ***,the problem is shown to be polynomially solvable for split graphs,and exact formulae for special graph familis,say Kn_(1),n_(2),...,n_(k)and P_(m)×P_(n),are presented.

关键词： Spanning tree optimization Centroid branch-NP-hardness Polynomial-time algorithm

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Perforated gastric ulcer causing mediastinal emphysema: A case report

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World Journal of Clinical Cases 2024年第4期12卷 859-864页

作者： Zhi-cheng Dai xun-Wu Gui Feng-he Yang Hao-Yuan Zhang Wen-Feng Zhang Department of General Surgery Mengcheng County First People's HospitalMengcheng 233500Anhui ProvinceChina Department of Medical Imaging Mengcheng County First People's HospitalMengcheng 233500Anhui ProvinceChina

BACKGROUND Mediastinal emphysema is a condition in which air enters the mediastinum between the connective tissue spaces within the pleura for a variety of *** can be spontaneous or secondary to chest trauma,esophageal perforation,medi-cally induced factors,*** common symptoms are chest pain,tightness in the chest,and respiratory *** mediastinal emphysema patients have mild symptoms,but severe mediastinal emphysema can cause respiratory and circulatory failure,resulting in serious *** SUMMARY A 75-year-old man,living alone,presented with sudden onset of severe epigastric pain with chest tightness after drinking *** to the remoteness of his residence and lack of neighbors,the patient was found by his nephew and brought to the hospital the next morning after the disease *** tomography(CT)showed free gas in the abdominal cavity,mediastinal emph-ysema,and subcutaneous *** gastrointestinal angiography showed that the esophageal mucosa was intact and the gastric antrum was ***,we chose to perform open gastric perforation repair on the patient under thoracic epidural anesthesia combined with intravenous *** operative incision of the muscle layer of the patient's abdominal wall was made,and a large amount of subperitoneal gas was *** a continued incision of the peritoneum revealed the presence of a perforation of approx-imately 0.5 cm in the gastric antrum,which we repaired after pathological ***,the patient received high-flow oxygen and cough *** CT was performed on the first and sixth postoperative days,and the mediastinal and subcutaneous gas was gradually *** After gastric perforation,a large amount of free gas in the abdominal cavity can reach the mediastinum through the loose connective tissue at the esophageal hiatus of the diaphragm,and upper gastrointestinal angiography can clarify the site of *** pat

关键词： Gastric ulcer Perforated Mediastinal emphysema Case report

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Simultaneously enhanced electrochemical performance and air stability of Ni-rich cathode with a modified washing process

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Rare Metals 2024年第1期43卷 87-97页

作者： Ben-Rui Hu Ying-Yi Yuan Yu-cheng Wang xun-Hui Xiong School of Environment and Energy Guangdong Provincial Key Laboratory of Advanced Energy Storage MaterialsSouth China University of TechnologyGuangzhou 510640China

Water washing has been regarded as one of the most effective strategies to remove surface residual lithium of nickel-rich layered oxides for lithium-ion batteries(LIBs).However,the loss of lattice lithium during the water washing process deteriorates the electrochemical performances and air ***,washing the LiNi_(0.90)Co_(0.05)Al_(0.02)O_(2)(NCA) with ammonium dihydrogen phosphate(NH_(4)H_(2)PO_(4)) solution has been proposed to simultaneously enhance electrochemical performances and air stability,in which in-situ generated Li_(3)PO_(4) coating layer on surface of NCA can suppress the loss of lattice ***,as a fast ionic conductor,Li_(3)PO_(4) coating layer on NCA can prevent the direct contact with electrolyte/*** a result,the NH_(4)H_(2)PO_(4) solution washed NCA cathode can deliver a high capacity of131.9 mAh·g^(-1) at 10.0C rate as well as impressive cycle stability with a capacity retention of 83.1% after 100 cycles at 1.0C,much higher than those of water washed NCA(WS-NCA) *** exposed in air for 7 days,the NH_(4)H_(2)PO_(4) solution washed NCA electrode can more effectively maintain the structural integrity as well as the electrochemical performances than water-washed *** work provides a simple and effective approach to enhance the cycle stability and air stability of Nickel-rich cathode materials.

关键词： Layered Ni-rich cathode Residual lithium Li_(3)PO_(4)coating Rate performance Air stability

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“Capture-activation-recapture” mechanism-guided design of double-atom catalysts for electrocatalytic nitrogen reduction

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Journal of Energy Chemistry 2024年第9期96卷 437-447页

作者： cheng he Shiqi Yan Wenxue Zhang State Key Laboratory for Mechanical Behavior of Materials School of Materials Science and EngineeringXi’an Jiaotong UniversityXi’an 710049ShaanxiChina School of Materials Science and Engineering Chang’an UniversityXi’an 710064ShaanxiChina

Compared with the traditional industrial nitrogen fixation, electrocatalytic methods, especially those utilizing double-atom catalysts containing nonmetals, can give good consideration to the economy and environmental protection. However, the existing “acceptance-donation” mechanism is only applicable to bimetallic catalysts and nonmetallic double-atom catalysts containing boron atoms. herein, a novel “capture-activation-recapture” mechanism for metal-nonmetal double-atom catalyst is proposed to solve the problem by adjusting the coordination environments of nonmetallic atoms and utilizing the activation effect of metal atoms on nitrogen. Based on this mechanism, the nitrogen reduction reaction (NRR) activity of 48 structures is calculated by density functional theory calculation, and four candidates are selected as outstanding electrocatalytic nitrogen reduction catalysts: Si-Fe@NG (U_(L) = –0.14 V), Si-Co@NG (U_(L)= –0.15 V), Si-Mo@BP1 (U_(L) = 0 V), and Si-Re@BP1 (U_(L) = –0.02 V). The analyses of electronic properties further confirm “capture-activation-recapture” mechanism and suggest that the difference in valence electron distribution between metal and Si atoms triggers the activation of N≡N bonds. In addition, a machine learning approach is utilized to generate an expression and an intrinsic descriptor that considers the coordination environment to predict the limiting potential. This study offers profound insight into the synergistic mechanism of TM and Si for NRR and guidance in the design of novel double-atom nitrogen fixation catalysts.

关键词： "Capture-activation-recapture"mechanism Double-atom catalyst Nitrogen reduction reaction Density functional theory

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Increase of chiral sensing ability in host-guest chemistry by magnetic anisotropy

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Science China Chemistry 2024年第8期67卷 2775-2782页

作者： Jia-Liang Chen Bin Li Feng Yang Tiesheng Shi xun-cheng Su State Key Laboratory of Elemento-organic Chemistry Tianjin Key Laboratory of Biosensing and Molecular RecognitionCollege of ChemistryNankai UniversityTianjin 300071China College of Chemistry Chemical Engineering and Materials ScienceZaozhuang UniversityZaozhuang 277160China

Enantiomeric molecules generally play distinct functions in chemistry,biology,and *** physical and chemical properties of chiral analytes lay difficulty in discrimination and quantification of the *** report herein an efficient approach of increasing the chiral sensing ability ofβ-cyclodextrin(β-CD),a widely used host molecule,in the hostguest chemistry by magnetic anisotropy.A rigid and chiral lanthanide binding tag was attached to theβ-CD to amplify the changes of nuclear magnetic resonance(NMR)signals in the host-guest recognition *** installation of the paramagnetic lanthanide ion inβ-CD greatly enhances the enantiomeric discrimination up to 30-fold in comparison with the diamagneticβ-CD *** addition,the magnitude of the paramagnetic effects is tunable according to the diverse range of paramagnetic strength of the lanthanide *** reported method significantly increases the chiral sensing ability ofβ-CD,which can be applied to other host *** transferred paramagnetic effects,pseudocontact shifts(PCSs)and paramagnetic relaxation enhancements(PREs),from the host to the guest molecules,are valuable structural restraints to determine the absolute stereochemistry of the chiral *** strategy does not need modification of the analytes and is complementary to the reported analytical methods that rely on the functionalization of the chiral analytes.

关键词： chiral recognition nuclear magnetic resonance host-guest chemistry magnetic anisotropy lanthanide ions

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Designing novel adaptive dynamic event-triggered protocols for uncertain multi-agent systems

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Science China(Information Sciences) 2024年第1期67卷 310-311页

作者： Bin cheng Bin he College of Electronics and Information Engineering Tongji University Frontiers Science Center for Intelligent Autonomous Systems

Multi-agent systems (MASs) have garnered widespread attention and have been investigated by numerous researchers in recent years, primarily due to their broad applications in industry, transportation, agriculture, and astronomy. While studying the cooperative control of MASs, numerous researchers place emphasis on reducing the frequency of communication among neighboring agents.

关键词： Directed graphs

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