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Development of a novel staging classification for Siewert Ⅱ adenocarcinoma of the esophagogastric junction after neoadjuvant chemotherapy

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World Journal of Gastrointestinal Oncology 2024年第6期16卷 2541-2554页

作者： Jian Zhang Hao Liu Hang Yu wei-xiang xu Department of Gastrointestinal Surgery The First Affiliated HospitalZhejiang University School of MedicineHangzhou 310003Zhejiang ProvinceChina

BACKGROUND Stage classification for Siewert Ⅱ adenocarcinoma of the esophagogastric junction(AEG)treated with neoadjuvant chemotherapy(NAC)has not been *** To investigate the optimal stage classification for Siewert Ⅱ AEG with *** A nomogram was established based on Cox regression model that analyzed variables associated with overall survival(OS)and disease-specific survival(DSS).The nomogram performance in terms of discrimination and calibration ability was evaluated using the likelihood-ratio test,Akaike information criterion,Harrell concordance index,time-receiver operating characteristic curve,and decision curve *** Data from 725 patients with Siewert type Ⅱ AEG who underwent neoadjuvant therapy and gastrectomy were obtained from the Surveillance,Epidemiology,and End Results *** and multivariate analyses revealed that sex,marital status,race,ypT stage,and ypN stage were independent prognostic factors of OS,whereas sex,race,ypT stage,and ypN stage were independent prognostic factors for *** factors were incorporated into the OS and DSS *** novel nomogram model performed better in terms of OS and DSS prediction compared to the 8th American Joint Committee of Cancer pathological staging system for esophageal and gastric ***,a user-friendly web application was developed for clinical *** The nomogram established specifically for patients with Siewert type Ⅱ AEG receiving NAC demonstrated good prognostic *** using external data is warranted before its widespread clinical application.

关键词： Stage classification Prognosis Esophagogastric junction cancer Neoadjuvant chemotherapy Siewert type

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Density Functional Theory Study on La Complex with Schiff-base as Building Block

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Chinese Journal of Structural Chemistry 2006年第2期25卷 197-203页

作者： XIA Shu-wei xu xiang SUN Ya-Li FAN Yu-Hua BI Cai-Feng ZHANG Dong-Mei YANG Li-Rong Department of Chemistry Ocean University of China Qingdao 266003 China

Quantum density functional theory （DFT） results are reported for the building block [LaL^1（NO3）] of La complex [LaL^1（NO3）]NO3·5H2O （L^1 = （CH3）2CHCH2CH（NCHC4H3O）COO^-）. The structure was optimized and the calculation results show that the lanthanum ion is coordinated by one nitrogen atom and three oxygen atoms of L^1 and two oxygen atoms of nitrate ion. The bond length of La-N is 0.2637 nm and the average length of La-O is 0.2526 nm, which are consistent with the literatures. In addition, the stabilities, electronic structural characteristics and IR spectra of the complex have been analyzed, which describe the coordination of lanthanum ion with other atoms in detail.

关键词： rare-earth Schiff-base lanthanum complex density functional theory

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Resolving the geometric structure of trastuzumab by mobility capillary electrophoresis and native mass spectrometry

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Chinese Chemical Letters 2024年第3期35卷 221-225页

作者： Wenjing Zhang Jie Hong Lei Yang Zuqiang xu Yu xiang wei xu School of Life Science Beijing Institute of TechnologyBeijing 100081China

Available online Immunoglobulins G(IgGs)are Y-shaped globular proteins,however,their high flexibility and heterogeneity pose great challenges to their structure and conformation *** structure of IgG closely correlates to its biofunctions,such as the antibody escape of human immunodeficiency virus(HIV)could attribute to the distance mismatch between the ends of two Fab arms(antigen-binding sites)and envelope glycoprotein spikes on virion ***,we report the first use of mobility capillary electrophoresis(MCE)and native mass spectrometry(nMS)to resolve the internal geometric structure and conformation of an IgG(trastuzumab)in solution *** proteolysis,the ellipsoid dimensions of IgG and its subunits were measured by MCE-nMS *** was then reconstructed,in which the sizes and relative positions of these three subunits in three-dimensional space were *** was found that the two Fab arms have an angle of~102.1°and a distance of~11.0 nm between the two antigen-binding sites under native condition,and the Fc arm was tilted~16.0°towards one of the Fab *** was not on the plane of Fab-Fab,but has an angle of no larger than 103.1°.Under acidic environment(pH 3.0),each subunit of the IgG would unfold into larger dimensions,and the angles between these subunits also *** great potential for tumor imaging and therapy,the structure of F(ab')_(2)fragments was also measured and validated by molecular dynamic *** was found that the electrostatic force among these three subunits and steric hindrance stemming from Fc help maintaining the angle between two Fab arms.

关键词： Native mass spectrometry Mobility capillary electrophoresis Trastuzumab Protein structure Geometric structure

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An Innovative Coupled Common-Node Discrete Element Method-Smoothed Particle Hydrodynamics Model Developed with LS-DYNA and Its Applications

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China Ocean Engineering 2024年第3期38卷 467-482页

作者： SHEN Zhong-xiang WANG Wen-qing xu Cheng-yue LUO Jia-xin LIU Ren-wei School of Naval Architecture and Ocean Engineering Jiangsu University of Science and TechnologyZhenjiang 212100China College of Harbor Coastal and Offshore EngineeringHohai UniversityNanjing 210098China

In this study,a common-node DEM-SPH coupling model based on the shared node method is proposed,and a fluid–structure coupling method using the common-node discrete element method-smoothed particle hydrodynamics(DS-SPH)method is developed using LS-DYNA *** DEM and SPH are established on the same node to create common-node DEM-SPH particles,allowing for fluid–structure *** simulations of various scenarios,including water entry of a rigid sphere,dam-break propagation over wet beds,impact on an ice plate floating on water and ice accumulation on offshore structures,are *** interaction between DS particles and SPH fluid and the crack generation mechanism and expansion characteristics of the ice plate under the interaction of structure and fluid are also *** results are compared with available data to verify the proposed coupling ***,the simulation results demonstrated that controlling the cutoff pressure of internal SPH particles could effectively control particle splashing during ice crushing failure.

关键词： common-node DEM-SPH fluid-structure interaction discrete element method smoothed particle hydrodynamics

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Manipulating the Phase Transition Behavior of Dual Temperature-Responsive Block Copolymers by Adjusting Composition and Sequence

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Chinese Journal of Polymer Science 2024年第2期42卷 176-187,I0006页

作者： Zhi Zou xiang xu Hai-Tao Zhao Jian-Nan Cheng wei-wei He Li-Fen Zhang Zhen-Ping Cheng Suzhou key Laboratory of Macromolecular Design and Precision Synthesis Jiangsu Key Laboratory of Advanced Functional Polymer Design and ApplicationState and Local Joint Engineering Laboratory for Novel Functional Polymeric MaterialsCollege of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhou215123China State Key Laboratory of Radiation Medicine and Protection School for Radiological and Interdisciplinary Sciences(RAD-X)and Collaborative Innovation Center of Radiation Medicine of JiangsuSoochow UniversitySuzhou215123China

Temperature-responsive polymers have garnered significant attention due to their ability to respond to external *** this work,dual temperature-responsive block copolymers are synthesized via reversible addition-fragmentation chain transfer polymerization(RAFT)polymerization utilizing zwitterionic monomer methacryloyl ethyl sulfobetaine(SBMA) and N-isopropyl acrylamide(NIPAAm) as *** thermal responsive behaviors can be easily modulated by incorporating additional hydrophobic monomer benzyl acrylate(BN) or hydrophilic monomer acrylic acid(AA),adjusting concentration or pH,or varying the degree of polymerization of the block chain *** cloud points of the copolymers are determined by UV-Vis spectrophotometry,and these copolymers exhibit both controlled upper and lower critical solu bility temperatures(LCST and UCST) in aqueous *** study analyzes and summarizes the influencing factors of dual temperature responsive block copolymers by exploring the effects of various conditions on the phase transition temperature of temperature-sensitive polymers to explore the relationship between their properties and environment and structure to make them more selective in terms of temperature application range and regulation *** is very interesting that the introduction of poly-acrylic acid(PAA) segments in the middle of di-block copolymer PSBMA_(55)-b-PNIPAAm_(80) to form PSBMA_(55)-b-PAA_(x)-b-PNIPAAm_(80) results in a reversal of temperature-responsive behaviors from 'U'(LCST UCST) type,while the copolymer PSBMA_(55)-b-P(NIPAAm_(80)-co-AA_(x)) *** work provides a clue for tuning the phase transition behavior of polymers for manufacture of extreme smart materials.

关键词： Temperature responsive polymers High critical solubility temperature(UCST) Low critical solubility temperature(LCST) Block copolymers

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Differential expression and significance of 5-hydroxymethylcytosine modification in hepatitis B virus carriers and patients with liver cirrhosis and liver cancer

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World Journal of Gastrointestinal Surgery 2023年第3期15卷 346-361页

作者： Yue-Cui Li wei-Yue Hu Cheng-Hang Li Li-Li Zhang xiang-wei xu Jin Li Hong-Xia Luo Department of Infectious Diseases The First People’s Hospital of YongkangJinhua 321300Zhejiang ProvinceChina

BACKGROUND The relationship between hepatitis B surface antigen(HBsAg)-positive carrier status and liver cancer has been extensively ***,the epigenetic changes that occur during progression from HBsAg-positive carrier status or cirrhosis to liver cancer are *** epigenetic modification of DNA hydroxymethylation is critical in tumor ***,5-hydroxymethylcytosine(5hmC)is an important base for DNA demethylation and epigenetic *** is also involved in the assembly of chromosomes and the regulation of gene ***,the mechanism of action of 5hmC in HBsAgpositive carriers or patients with cirrhosis who develop liver cancer has not been fully *** To investigate the possible epigenetic mechanism of HBsAg-positive carriers and hepatocellular carcinoma(HCC)progression from *** Forty HBsAg-positive carriers,forty patients with liver cirrhosis,and forty patients with liver cancer admitted to the First People's Hospital of Yongkang between March 2020 and November 2021 were selected as *** DNA was extracted using a cf-DNA *** was extracted by 5hmC DNA sequencing for principal component analysis,the expression profiles of the three groups of samples were detected,and the differentially expressed genes(DEGs)modified by hydroxymethylation were *** analysis was used to enrich DEGs,such as in biological *** A total of 16455 hydroxymethylated genes were *** results showed that 32 genes had significant 5hmC modification differences between HBsAg carriers and liver cancer patients,of which 30 were upregulated and 2 downregulated in patients with HCC compared with HBsAg-positive *** 5hmC modification differences between liver cirrhosis and liver cancer patients were identified in 20 genes,of which 17 were upregulated and 3 were downregulated in patients with HCC compared with those with *** genes may have potential

关键词： Hepatitis B surface antigen 5-hydroxymethylcytosine Hepatocellular carcinoma Liver cancer DNA sequencing Differentially expressed genes

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Highly homogeneous zero-index metamaterials make devices more compact and perform better

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Light(Science & Applications) 2024年第5期13卷 806-807页

作者： wei-xiang Jiang State Key Laboratory of Millimeter Waves School of Information Science and EngineeringSoutheast University210096 NanjingChina

A highly homogeneous microwave zero-index metamaterial based on high-permittivity SrTiO3 ceramics is demonstrated to realize the small-aperture high-directivity *** a novel technique is a remarkable step forward to de... 详细信息

关键词： ceramics SrTiO3 Highly

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Remote copper-catalyzed enantioselective substitution of yne-thiophene carbonates

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Science China Chemistry 2024年第4期67卷 1175-1180页

作者： Hao-Dong Qian xiang Li Tingrui Yin wei-Feng Qian Chunhui Zhao Cuiju Zhu Hao xu CCNU-uOttawa Joint Research Centre Key Laboratory of Pesticides&Chemical Biology of Ministry of EducationInternational Joint Research Center for Intelligent Biosensing Technology and HealthCollege of ChemistryCentral China Normal UniversityWuhan 430079China

Here,we describe a strategy for the copper-catalyzed asymmetric heteroarylation of yne-thiophene carbonates with indoles via remote *** key to the success of this strategy lies in the design of the alkynyl group at the ortho-position of the heterocycle thiophene,enabling the formation of a triarylmethane moiety via very remote ***,the concept of remote copper-catalyzed asymmetric transformation extends not only to yne-allylic esters but also to yne-aryl *** reaction readily provides a diverse array of chiral triarylmethanes with high efficiency,enantioselectivity,and excellent functional group ***,facile follow-up transformations underscore their potential utility in the synthesis of various enantioenriched building *** mechanistic studies support the plausibility of the remote substitution pathway.

关键词： remote substitution copper catalyst asymmetric catalysis triaryl methanes

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Decomposition mechanisms of nuclear-grade cationic exchange resin by advanced oxidation processes:Statistical molecular fragmentation model and DFT calculations

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Journal of Environmental Sciences 2024年第1期135卷 433-448页

作者： xiang Meng Pierre Désesquelles Lejin xu Department of Nuclear Engineering and Technology School of Energy and Power EngineeringHuazhong University of Science&TechnologyWuhan 430074China CNRS Laboratoire de Physique des Gaz et des PlasmasUniversitéParis-SaclayOrsay 91405France State Key Laboratory of Coal Combustion School of Energy and Power EngineeringHuazhong University of Science and TechnologyWuhan 430074China

The treatment and disposal of radioactive waste are presently facing great *** ion exchange resins have become a focus of attention due to their high production and serious environmental *** this paper,a simplified model of cationic exchange resin is proposed,and the degradation processes of cationic resin monomer initiated by hydroxyl radicals(·OH)are clarified by combining statistical molecular fragmentation(SMF)model and density functional theory(DFT)*** prediction of active sites indicates that the S-O bonds and the C-S bond of the sulfonic group are more likely to react during the *** meta-position of the sulfonic group on the benzene ring is the most active site,and the benzene ring without the sulfonic group has a certain *** C11-C14 and C17-C20 bonds,on the carbon skeleton,are the most easily *** is also found that dihydroxy addition and elimination reactions play a major role in the process of desulfonation,carbon skeleton cleavage and benzene ring *** decomposition mechanisms found through the combination of physical models and chemical calculations,provide theoretical guidance for the treatment of complex polycyclic aromatic hydrocarbons.

关键词： Cationic exchange resin Statistical molecular fragmentation model Density functional theory Hydroxyl radical Decomposition mechanism

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Computed tomography-based radiomics to predict early recurrence of hepatocellular carcinoma post-hepatectomy in patients background on cirrhosis

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World Journal of Gastroenterology 2024年第15期30卷 2128-2142页

作者： Gui-xiang Qian Zi-Ling xu Yong-Hai Li Jian-Lin Lu xiang-Yi Bu Ming-Tong wei wei-Dong Jia Department of Hepatic Surgery Anhui Provincial HospitalThe First Affiliated Hospital of USTCDivision of Life Science and MedicineUniversity of Science and Technology of ChinaHefei 230001Anhui ProvinceChina Department of Hepatic Surgery Anhui Provincial Hospital Affiliated to Anhui Medical UniversityAnhui Medical UniversityHefei 230001Anhui ProvinceChina Department of Anorectal Surgery the First People’s Hospital of HefeiHefei 230001Anhui ProvinceChina

BACKGROUND The prognosis for hepatocellular carcinoma(HCC)in the presence of cirrhosis is unfavourable,primarily attributable to the high incidence of *** To develop a machine learning model for predicting early recurrence(ER)of posthepatectomy HCC in patients with cirrhosis and to stratify patients’overall survival(OS)based on the predicted risk of *** In this retrospective study,214 HCC patients with cirrhosis who underwent curative hepatectomy were *** feature selection was conducted using the least absolute shrinkage and selection operator and recursive feature elimination ***-radiologic features were selected through univariate and multivariate logistic regression *** machine learning methods were used for model comparison,aiming to identify the optimal *** model’s performance was evaluated using the receiver operating characteristic curve[area under the curve(AUC)],calibration,and decision curve ***,the Kaplan-Meier(K-M)curve was used to evaluate the stratification effect of the model on patient *** Within this study,the most effective predictive performance for ER of post-hepatectomy HCC in the background of cirrhosis was demonstrated by a model that integrated radiomics features and clinical-radiologic *** the training cohort,this model attained an AUC of 0.844,while in the validation cohort,it achieved a value of *** K-M curves illustrated that the combined model not only facilitated risk stratification but also exhibited significant discriminatory ability concerning patients’*** The combined model,integrating both radiomics and clinical-radiologic characteristics,exhibited excellent performance in HCC with *** K-M curves assessing OS revealed statistically significant differences.

关键词： Machine learning Radiomics Hepatocellular carcinoma Cirrhosis Early recurrence Overall survival Computed tomography Prognosis Risk factor Delta-radiomics

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