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Network pharmacology and molecular dynamics study of the effect of the Astragalus-Coptis drug pair on diabetic kidney disease

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World Journal of Diabetes 2024年第7期15卷 1562-1588页

作者： Mo-Yan z.a.g shu-qin zheng Liaoning University of Traditional Chinese Medicine Liaoning University of Traditional Chinese MedicineShenyang 110847Liaoning ProvinceChina Department of Endocrinology The Affiliated Hospital of Liaoning University of Traditional Chinese MedicineShenyang 110032Liaoning ProvinceChina

BACKgROUND Diabetic kidney disease(DKD)is the primary cause of end-stage renal *** Astragalus-Coptis drug pair is frequently employed in the management of ***,the precise molecular mechanism underlying its therapeutic effect remains *** To investigate the synergistic effects of multiple active ingredients in the Astragalus-Coptis drug pair on DKD through multiple targets and *** The ingredients of the Astragalus-Coptis drug pair were collected and screened using the TCMSP database and the SwissADME *** targets were predicted using the SwissTargetPrediction database,while the DKD differential gene expression analysis was obtained from the gene Expression Omnibus *** targets were acquired from the geneCards,Online Mendelian Inheritance in Man database,and DisgeNET databases,with common targets identified through the Venny *** protein-protein interaction network and the“disease-active ingredient-target”network of the common targets were constructed utilizing the STRINg database and Cytoscape software,followed by the analysis of the interaction relationships and further screening of key targets and core active *** Ontology(gO)function and Kyoto Encyclopedia of genes and genomes(KEgg)pathway enrichments were performed using the DAVID *** tissue and organ distributions of key targets were *** and AutoDock software validate the molecular docking between the core ingredients and key ***,molecular dynamics(MD)simulations were conducted to simulate the optimal complex formed by interactions between core ingredients and key target *** A total of 27 active ingredients and 512 potential targets of the Astragalus-Coptis drug pair were *** were 273 common targets between DKD and the Astragalus-Coptis drug *** protein-protein interaction network topology analysis,we identified 9 core active ingredients and 10 key *** and KEgg pathwa

关键词： Astragalus membranaceus Coptis chinensis Franch Diabetic kidney disease Network pharmacology Molecular docking Molecular dynamics simulation

Long non-coding RNA MALAT1 in hematological malignancies and its clinical applications

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Chinese Medical Journal 2024年第10期137卷 1151-1159页

作者： Chunlan z.a.g Yun qin Yu Wu Heng Xu Yang shu Department of Hematology West China HospitalSichuan UniversityChengduSichuan 610041China Department of Radiology West China HospitalSichuan UniversityChengduSichuan 610041China Department of Laboratory Medicine/Research Center of Clinical Laboratory Medicine West China HospitalSichuan UniversityChengduSichuan 610041China Department of Biotherapy State Key Laboratory of Biotherapy and Cancer CenterWest China HospitalSichuan UniversityChengduSichuan 610041China Institute of general Surgery West China HospitalSichuan UniversityChengduSichuan 610041China Department of general Surgery Gastric Cancer Center and Laboratory of Gastric CancerWest China HospitalSichuan UniversityChengduSichuan 610041China

Metastasis-associated lung adenocarcinoma transcript 1(MALAT1)is a well-established oncogenic long non-coding RNA,the higher expression of which is strongly correlated with cancer events such as tumorigenesis,progression,metastasis,drug resistance,and treatment outcome in solid ***,a series of studies has highlighted its potential role in hematological malignancies in terms of these *** to solid cancers,MALAT1 can regulate various target genes via sponging and epigenetic mechanisms,but the miRNAs sponged by MALAT1 differ from those identified in solid *** this review,we systematically describe the role and underlying mechanisms of MALAT1 in multiple types of hematological malignancies,including regulation of cell proliferation,metastasis,stress response,and ***,MALAT1 expression is related to poor treatment outcome and drug resistance,therefore exhibiting potential prognostic value in multiple myeloma,lymphoma,and ***,we discuss the evaluation of MALAT1 as a novel therapeutic target against cancer in preclinical studies.

关键词： Long non-coding RNA Hematological malignancies Tumorigenesis Metastasis Drug resistance Prognostic biomarker

Data-driven casting defect prediction model for sand casting based on random forest classification algorithm

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China Foundry 2024年第2期21卷 137-146页

作者： Bang guan Dong-hong Wang Da shu Shou-qin zhu Xiao-yuan Ji Bao-de Sun Shanghai Key Lab of Advanced High-Temperature Materials and Precision Forming School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai 200240China State Key Lab of Metal Matrix Composites Shanghai Jiao Tong UniversityShanghai 200240China Hefei Casting and Forging Factory of Anhui Heli Co. LtdHefei 230000China State Key Laboratory of Materials Processing and Die&Mould Technology Huazhong University of Science and TechnologyWuhan 430074China

The complex sand-casting process combined with the interactions between process parameters makes it difficult to control the casting quality,resulting in a high scrap rate.A strategy based on a data-driven model was proposed to reduce casting defects and improve production efficiency,which includes the random forest(RF)classification model,the feature importance analysis,and the process parameters optimization with Monte Carlo *** collected data includes four types of defects and corresponding process parameters were used to construct the RF *** results show a recall rate above 90% for all *** gini Index was used to assess the importance of the process parameters in the formation of various defects in the RF ***,the classification model was applied to different production conditions for quality *** the case of process parameters optimization for gas porosity defects,this model serves as an experimental process in the Monte Carlo method to estimate a better temperature *** prediction model,when applied to the factory,greatly improved the efficiency of defect *** show that the scrap rate decreased from 10.16% to 6.68%.

关键词： sand casting process data-driven method classification model quality prediction feature importance

Association between gene Polymorphisms and SNP-SNP Interactions of the Matrix Metalloproteinase 2 Signaling Pathway and the Risk of Vascular Senescence

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Biomedical and Environmental Sciences 2024年第2期37卷 146-156页

作者： LIAO zhen Yu YANg shuo HU Song LIU Jia MAO Yong Jun SUN shu qin Department of geriatrics the Affiliated Hospital of Qingdao UniversityQingdao 266000ShandongChina Department of Critical Care Medicine the Affiliated Hospital of Qingdao UniversityQingdao 266000ShandongChina

Objective This study aimed to explore the association of single nucleotide polymorphisms(SNP)in the matrix metalloproteinase 2(MMP-2)signaling pathway and the risk of vascular senescence(VS).Methods In this cross-sectional study,between May and November 2022,peripheral venous blood of151 VS patients(case group)and 233 volunteers(control group)were *** SNPs were identified in five genes encoding the components of the MMP-2 signaling pathway,assessed through carotid-femoral pulse wave velocity(cf PWV),and analyzed using multivariate logistic *** multigene influence on the risk of VS was assessed using multifactor dimensionality reduction(MDR)and generalized multifactor dimensionality regression(gMDR)*** Within the multivariate logistic regression models,four SNPs were screened to have significant associations with VS:chemokine(C-C motif)ligand 2(CCL2)rs4586,MMP2 rs14070,MMP2rs7201,and MMP2 *** of the T/C genotype of MMP2 rs14070 had a 2.17-fold increased risk of developing VS compared with those of the C/C genotype,and those of the T/T genotype had a19.375-fold increased ***2 rs4586 and MMP-2 rs14070 exhibited the most significant *** CCL2 rs4586,MMP-2 rs14070,MMP-2 rs7201,and MMP-2 rs1053605 polymorphisms were significantly associated with the risk of VS.

关键词： Vascular senescence Pulse wave velocity(PWV) Single nucleotide polymorphism(SNP) Matrix metalloproteinase 2(MMP-2) Extracellular matrix(ECM) Structural degradation Multifactor dimensionality reduction(MDR)

Hepatocellular carcinoma:An analysis of the expression status of stress granules and their prognostic value

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World Journal of gastrointestinal Oncology 2024年第6期16卷 2571-2591页

作者： qing-shuai Ren Qiu Sun shu-qin Cheng Li-Ming Du Ping-Xuan guo Department of Cardiovascular Surgery North China University of Science and Technology Affiliated HospitalTangshan 063000Hebei ProvinceChina Department of Hepatobiliary Kailuan General HospitalTangshan 063000Hebei ProvinceChina Department of gastroenterology and Hepatology Tianjin Medical University General HospitalTianjin Institute of Digestive DiseasesTianjin Key Laboratory of Digestive DiseasesTianjin 300000China Department of Traditional Chinese Medicine Kailuan General HospitalTangshan 063000Hebei ProvinceChina Department of Anesthesiology Kailuan General HospitalNorth China University of Science and TechnologyTangshan 063000Hebei ProvinceChina

BACKgROUND Hepatocellular carcinoma(HCC)is a global popular malignant tumor,which is difficult to cure,and the current treatment is *** To analyze the impacts of stress granule(Sg)genes on overall survival(OS),survival time,and prognosis in *** The combined The Cancer genome Atlas-Liver Hepatocellular Carcinoma(TCgA-LIHC),gSE25097,and gSE36376 datasets were utilized to obtain genetic and clinical *** hub gene numbers and corresponding coefficients were determined using the Least absolute shrinkage and selection operator model approach,and genes for constructing risk scores and corresponding correlation coefficients were calculated according to multivariate Cox regression,*** prognostic model’s receiver operating characteristic(ROC)curve was produced and plotted utilizing the time ROC software *** models were constructed to predict the outcomes at 1,3,and 5-year OS prognostications with good prediction *** We identified seven Sg genes(DDX1,DKC1,BICC1,HNRNPUL1,CNOT6,DYRK3,CCDC124)having a prognostic significance and developed a risk score *** findings of Kaplan-Meier analysis indicated that the group with a high risk exhibited significantly reduced OS in comparison with those of the low-risk group(Pgram model’s findings indicate a significant enhancement in the accuracy of OS prediction for individuals with HCC in the TCgA-HCC *** Ontology and gene Set Enrichment Analysis suggested that these Sgs might be involved in the cell cycle,RNA editing,and other biological *** Based on the impact of Sg genes on HCC prognosis,in the future,it will be used as a biomarker as well as a unique therapeutic target for the identification and treatment of HCC.

关键词： Stress granule genes Hepatocellular carcinoma gastrointestinal neoplasms Bioinformatics prognosis Prognostic value

First-principles study on the diffusion behavior of Cs and I in Cr coating

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Nuclear Science and Techniques 2024年第6期35卷 177-188页

作者： shu-Ying Lin Xiao-Jing Li Lin-Bing Jiang Xi-Jun Wu Hui-qin Yin Yu Ma Wen-guan Liu Sino-French Institute of Nuclear Engineering and Technology Sun Yat-Sen UniversityZhuhai 519082China School of Nuclear Science and Technology University of South ChinaHengyang 421001China

Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical *** coating has emerged as an important candidate for mitigating this chemical *** this study,first-principles calculations were employed to investigate the diffusion behavior of Cs and I in the Cr bulk and grain boundaries to reveal the microscopic interaction mitigation mechanisms at the fuel-cladding *** interaction between these two fission products and the Cr coating were studied systematically,and the Cs and I temperature-dependent diffusion coefficients in Cr were obtained using Bocquet’s oversized solute-atom model and Le Claire’s nine-frequency model,*** results showed that the Cs and I migration barriers were significantly lower than that of Cr,and the Cs and I diffusion coefficients were more than three orders of magnitude larger than the Cr self-diffusion coefficient within the temperature range of generation-IV fast reactors(below 1000 K),demonstrating the strong penetration ability of Cs and ***,Cs and I are more likely to diffuse along the grain boundary because of the generally low migration barriers,indicating that the grain boundary serves as a fast diffusion channel for Cs and I.

关键词： First-principles calculation Fuel cladding chemical interaction Cr coating Fission product Diffusion grain boundary

Quenching and flow of charm and bottom quarks via semi-leptonic decay of D and B mesons in Pb+Pb collisions at the LHC

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Chinese Physics C 2024年第8期48卷 190-197页

作者： shu-qing Li Wen-Jing Xing Shanshan Cao guang-You qin School of Physics and Electronic Engineering Jining UniversityQufu 273155China Institute of Frontier and Interdisciplinary Science Shandong UniversityQingdao 266237China Institute of Particle Physics and Key Laboratory of Quark and Lepton Physics(MOE) Central China Normal UniversityWuhan 430079China

Heavy flavor particles provide important probes of the microscopic structure and thermodynamic properties of the quark-gluon plasma(QgP)produced in high-energy nucleus-nucleus *** studied the energy loss and flow of charm and bottom quarks inside the QgP via the nuclear modification factor(R_(AA))and elliptic flow coefficient(v_(2))of their decayed leptons in heavy-ion collisions at the *** dynamical evolution of the QgP was performed using the CLVisc(3+1)-dimensional viscous hydrodynamics model;the evolution of heavy quarks inside the QgP was simulated with our improved Langevin model that considers both collisional and radiative energy loss of heavy quarks;the hadronization of heavy quarks was simulated via our hybrid coalescence-fragmentation model;and the semi-leptonic decay of D and B mesons was simulated via *** the same spatial diffusion coefficient for charm and bottom quarks,we obtained smaller R_(AA) and larger v_(2) of charm decayed leptons than bottom decayed leptons,indicating stronger energy loss of charm quarks than bottom quarks inside the QgP within our current model setup.

关键词： quark-gluon plasma heavy-ion collisions jet quenching anisotropic flow heavy quark heavy flavor muon

LSM14B coordinates protein component expression in the P-body and controls oocyte maturation

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Journal of genetics and genomics 2024年第1期51卷 48-60页

作者： Huiru z.a.g Tao z.a.g Xiang Wan Chang Chen shu Wang Dongdong qin Lufan Li Luping Yu Xin Wu State Key Laboratory of Reproductive Medicine and Offspring Health Nanjing Medical UniversityNanjingJiangsu 210029China Center for Reproductive Medicine and Obstetrics and gynecology Nanjing Drum Tower HospitalNanjing University Medical SchoolNanjingJiangsu 210029China

The generation of mature and healthy oocytes is the most critical event in the entire female reproductive process,and the mechanisms regulating this process remain to be ***,we demonstrate that Smith-like(LSM)family member 14B(LSM14B)regulates oocyte maturation,and the loss of LSM14B in mouse ovaries leads to abnormal oocyte MII arrest and female ***,we find the aberrant transcriptional activation,indicated by abnormal non-surrounded nucleolus and surrounded nucleolus oocyte proportions,and abnormal chromosome assembly and segregation in Lsm14b-deficient mouse *** global transcriptome analysis suggests that many transcripts involved in cytoplasmic processing body(P-body)function are altered in Lsm14b-deficient mouse *** of Lsm14b results in the expression and/or localization changes of P-body components(such as LSM14A,DCP1A,and 4E-T).Notably,DDX6,a key component of the P-body,is downregulated and accumulates in the nuclei in Lsm14b-deficient mouse *** together,our data suggest that LSM14B links mouse oocyte maturation to female fertility through the regulation of the P-body.

关键词： LSM14B P-body DDX6 MIl arrest Chromatin configuration

Two‑Dimensional Cr_(5)Te_(8)@graphite Heterostructure for Efficient Electromagnetic Microwave Absorption

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Nano-Micro Letters 2024年第3期16卷 407-422页

作者： Liyuan qin ziyang guo shuai zhao Denan Kong Wei Jiang Ruibin Liu Xijuan Lv Jiadong zhou qinghai shu School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081People’s Republic of China Centre for Quantum Physics Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement(MOE)School of PhysicsBeijing Institute of TechnologyBeijing 100081People’s Republic of China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081People’s Republic of China Tangshan Research Institute Beijing Institute of TechnologyTangshan 063099People’s Republic of China

Two-dimensional(2D)transition metal chalcogenides(TMCs)hold great promise as novel microwave absorption materials owing to their interlayer interactions and unique magnetoelectric ***,overcoming the impedance mismatch at the low loading is still a challenge for TMCs due to the restricted loss pathways caused by their high-density ***,an interface engineering based on the heterostructure of 2D Cr_(5)Te_(8) and graphite is in situ constructed via a one-step chemical vapor deposit to modulate impedance matching and introduce multiple attenuation ***,the Cr_(5)Te_(8)@Eg(ECT)heterostructure exhibits a minimum reflection loss of up to−57.6 dB at 15.4 gHz with a thin thickness of only 1.4 mm under a low filling rate of 10%.The density functional theory calculations confirm that the splendid performance of ECT heterostructure primarily derives from charge redistribution at the abundant intimate interfaces,thereby reinforcing interfacial polarization ***,the ECT coating displays a remarkable radar cross section reduction of 31.9 dB m^(2),demonstrating a great radar microwave scattering *** work sheds light on the interfacial coupled stimulus response mechanism of TMC-based heterogeneous structures and provides a feasible strategy to manipulate high-quality TMCs for excellent microwave absorbers.

关键词： Chemical vapor deposition Interface polarization engineering Cr_(5)Te_(8)-graphite heterojunctions Microwave absorption