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Network pharmacology and molecular docking analysis reveal insights into the molecular mechanism of Gualou Qumai Wan in clear cell renal cell carcinoma

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TMR Modern Herbal Medicine 2024年第2期7卷 11-18页

作者： zhi-Qiang Wang Zhen-Yu Mu Bo Yang Tao Wang zhi-yong su Shan-Chun Guo Jiang-Xia Yin Department of Urology Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China Medical Insurance Office Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China Intensive Care Unit Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China Department of Anal surgery Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China Department of Neurosurgery Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China RCMI Cancer Research Center Xavier University of LouisianaLA 1870125USA Department of Medical Oncology Shouguang Hospital of Traditional Chinese MedicineShouguang 262700China

Background:To initially clarify the potential therapeutic targets and pharmacological mechanism regarding Gualou Qumai Wan(GQW),a kind of traditional Chinese medicine(TCM),in clear cell renal cell carcinoma(ccRCC)by virtue of the network pharmacology analysis and molecular docking ***:The screening of bioactive components and targets of GQW was based on the Traditional Chinese Medicine System Pharmacology(TCMSP)and the UniProt platform served for standardizing their *** Mendelian Inheritance in Man(OMIM),PharmGkb,TTD,DrugBank and GeneCards databases were searched to collect the disease targets of *** assisted in constructing herb-compound-target(H-C-T)*** STRING database was searched for constructing the target protein-protein interaction(PPI)networks,while the R programming language served for analyzing GO functional terms and the KEGG pathways related to potential *** of core genes related to survival and tumor microenvironment(TME)were conducted respectively based on the GEPIA2 database and TIMER 2.0 *** Protein Atlas(HPA)and The Cancer Genome Atlas(TCGA)helped to obtain core genes’protein expression as well as transcriptome expression *** Vina software validated the molecular docking regarding GQW components and pivotal ***:The constructed H-C-T networks mainly had 33 compounds and 65 targets.A topological analysis of the PPI network identified that ESR1,AKT1,HIF1A,PTGS2,TP53 and VEGFA serve as core targets in the way GQW affects *** to the GO and KEGG pathway enrichment analyses,the effects of GQW are mediated by genes related to hypoxia and oxidative stress as well as the Chemical carcinogenesis-receptor activation and PI3K-Akt signaling ***1 shows a close relation to the recruitment of various immune cells and can remarkably affect disease prognosis according to *** docking and molecular dynamics simulations showed that diosgenin has

关键词： Gualou Qumai Wan AKT1 PI3K-Akt signaling pathway network pharmacology diosgenin clear cell renal cell carcinoma

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Molecular Dynamics Simulation Studies on the Micromorphology and Proton Transport of Nafion/Ti_(3)C_(2)T_(x) Composite Membrane

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Chinese Journal of Polymer Science 2024年第3期42卷 373-387,I0009页

作者： zhi-Yue Han su-Peng Pei Chun-Yang Yu yong-Feng Zhou School of Chemical and Environmental Engineering Shanghai Institute of TechnologyShanghai 201418China School of Chemistry&Chemical Engineering Frontiers Science Center for Transformative MoleculesShanghai Key Laboratory of Electrical Insulation and Thermal AgingShanghai Jiao Tong UniversityShanghai 200240China Key Laboratory of Green and High-end Utilization of Salt Lake Resources Chinese Academy of SciencesXining 810008China

The perfluorosulfonic acid(PFSA) membrane doped with two-dimensional conductive filler Ti_(3)C_(2)T_(x) is a fuel cell proton exchange membrane with high application potential. Experimental studies showed that the proton conductivity of Nafion/Ti_(3)C_(2)T_(x) composite membrane is improved significantly compared with that in pure Nafion. However, the microscopic mechanism of doping on the enhancement of membrane performance is remain unclear now. In this work, molecular dynamics simulation was used to investigate the microscopic morphology and proton transport behaviors of Nafion/Ti_(3)C_(2)T_(x) composite membrane at the molecular level. The results shown that there were significant differences about the diffusion kinetics of water molecules and hydroxium ions in Nafion/Ti_(3)C_(2)T_(x) at low and high hydration levels in the nanoscale *** the increase of water content, Ti_(3)C_(2)T_(x) in membrane was gradually surrounded by ambient water molecules to form a hydration layer, and forming a relatively continuous proton transport channel between Nafion polymer and Ti_(3)C_(2)T_(x) monomer. The continuous proton transport channel could increase the number of binding sites of proton and thus achieving high proton conductivity and high mobility of water molecules at higher hydration level. The current work can provide a theoretical guidance for designing new type of Nafion composite membranes.

关键词： Nafion/Ti_(3)C_(2)T_(x)composite membrane Proton transport Molecular dynamics simulation

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A Time-Domain Numerical Simulation for Free Motion Responses of Two Ships Advancing in Head Waves

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China Ocean Engineering 2024年第3期38卷 519-530页

作者： PAN su-yong CHENG yong School of Naval Architecture and Ocean Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China

The constant panel method within the framework of potential flow theory in the time domain is developed for solving the hydrodynamic interactions between two parallel ships with forward *** solving problems within a time domain framework,the free water surface needs to simultaneously satisfy both the kinematic and dynamic boundary conditions of the free water *** provides conditions for adding artificial damping *** the Runge−Kutta method to solve equations related to *** upwind differential scheme is used in the present method to deal with the convection terms on the free surface to prevent waves *** the comparison with the available experimental data and other numerical methods,the present method is proved to have good mesh convergence,and satisfactory results can be *** constant panel method is applied to calculate the hydrodynamic interaction responses of two parallel ships advancing in head *** simulations are conducted on the effects of forward speed,different longitudinal and lateral distances on the motion response of two modified Wigley ships in head *** further investigations are conducted on the effects of different ship types on the motion response.

关键词： ship motions time domain simulation forward speed different distances wave loads

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Ureteroscopic holmium laser to transect the greater omentum to remove an abdominal drain:Four case reports

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World Journal of Clinical Cases 2021年第31期9卷 9584-9591页

作者： Hong-Ming Liu Guang-Heng Luo Xiao-Fei Yang Zhu-Gang Chu Tian Ye zhi-yong su Li Kai Xiu-Shu Yang Zhen Wang Department of Urology Guizhou Provincial People’s HospitalGuiyang 550002Guizhou ProvinceChina Department of Urology The Affiliated Hospital of Guizhou Medical UniversityGuiyang 550000Guizhou ProvinceChina Department of General surgery Guizhou Provincial People’s HospitalGuiyang 550002Guizhou ProvinceChina

BACKGROUND Drainage tube removal is difficult when the greater omentum becomes incarcerated in the drainage tube through the side ***,known removal methods are either ineffective or will cause additional damage to the patient in a secondary *** and the holmium laser have been used in various surgical techniques in urology,and in theory,they are expected to be a good strategy for solving the problem of tissue *** suMMARY Four patients diagnosed with difficult removal of an abdominal drainage tube following abdominal surgery are *** patients underwent surgery to remove the incarcerated greater omentum in the drainage tube using a holmium laser and a ureteroscope,and a new 16-F drain was then placed in the abdominal or pelvic *** efficacy of this technique was evaluated by intraoperative conditions,success rate,and operating time;safety was evaluated by perioperative conditions and the probability of postoperative *** four operations went smoothly,and the drains were successfully removed in all *** average operating time was 24.5 ***,the average irrigation volume was 892.0 mL,the average drainage volume was 638.5 mL,and no bleeding or damage to surrounding tissues was ***,the average drainage volume was 32.8 mL and the new drains were removed within 36 *** patients were able to get out of bed and move around within 12 *** visual analogue pain scores were all below *** average follow-up duration was 12.5 mo and no complications such as fever or bleeding were *** Ureteroscopic holmium laser surgery is an effective,safe and minimally invasive technique for removing drains where the greater omentum is incarcerated in the abdominal drain.

关键词： Ureteroscope Holmium laser Drainage Greater omentum Complication of abdominal surgery Case report

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A Geometric Based Connection between Fractional Calculus and Fractal Functions

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Acta Mathematica Sinica,English Series 2024年第2期40卷 537-567页

作者： yong Shun LIANG Wei Yi su School of Mathematics and Statistic Nanjing University of Science and TechnologyNanjing 210094P.R.China Department of Mathematics Nanjing UniversityNanjing 210023P.R.China

Establishing the accurate relationship between fractional calculus and fractals is an important research content of fractional calculus *** the present paper,we investigate the relationship between fractional calculus and fractal functions,based only on fractal dimension *** dimension of the Riemann-Liouville fractional integral of continuous functions seems no more than fractal dimension of functions *** fractal dimension of the Riemann-Liouville fractional differential of continuous functions seems no less than fractal dimension of functions themselves when they *** further discussion,fractal dimension of the Riemann-Liouville fractional integral is at least linearly decreasing and fractal dimension of the Riemann-Liouville fractional differential is at most linearly increasing for the Holder continuous *** about other fractional calculus,such as the Weyl-Marchaud fractional derivative and the Weyl fractional integral has also been given *** work is helpful to reveal the mechanism of fractional calculus on continuous *** the same time,it provides some theoretical basis for the rationality of the definition of fractional *** is also helpful to reveal and explain the internal relationship between fractional calculus and fractals from the perspective of geometry.

关键词： Fractional calculus fractal functions fractal dimension fractional calculus equation relationship

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Cosmological Constraints on Neutrino Masses in Light of JWST Red and Massive Candidate Galaxies

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Research in Astronomy and Astrophysics 2024年第4期24卷 7-12页

作者： Jian-Qi Liu zhi-Qi Huang Yan su School of Physics and Astronomy Sun Yat-sen UniversityZhuhai 519082China CSST Science Center for the Guangdong-Hong Kong-Macao Greater Bay Area Zhuhai 519082China

The overabundance of the red and massive candidate galaxies observed by the James Webb Space Telescope(JWST)implies efficient structure formation or large star formation efficiency at high redshift z~*** the scenario of a low or moderate star formation efficiency,because massive neutrinos tend to suppress the growth of structure of the universe,the JWST observation tightens the upper bound of the neutrino *** A cold dark matter cosmology and a star formation efficiency∈[0.05,0.3](flat prior),we perform joint analyses of Planck+JWST and Planck+BAO+JWST,and obtain improved constraints∑m_(ν)sumptions,the inverted mass ordering,which implies ∑m_(ν)≥0.1 eV,is excluded by Planck+BAO+JWST at 92.7% confidence level.

关键词： (cosmology:)cosmological parameters galaxies:abundances galaxies:formation neutrinos

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C-F insertion reaction sheds new light on the construction of fluorinated compounds

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Chinese Chemical Letters 2024年第8期35卷 163-169页

作者： Dong-Sheng Deng su-Qin Tang yong-Tu Yuan Ding-Xiong Xie zhi-Yuan Zhu Yue-Mei Huang Yun-Lin Liu Henan Key Laboratory of Function-Oriented Porous Materials and College of Chemistry and Chemical EngineeringLuoyang Normal UniversityLuoyang 471934China School of Chemistry and Chemical Engineering Guangzhou UniversityGuangzhou 510006China Key Laboratory of Organofluorine Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

The atom-economical C-F insertion chemistry is emerged as a promising technology for the synthesis of various fluorinated scaffolds,which have wide applications both in the academic and the industrial *** past three years have witnessed rapid developments in this *** highlight provides an overview on the evolution according to the fluorinating agents used.

关键词： C-F insertion Benzyl fluoride Acyl fluoride gem-Difluorocyclopropane Fluorinated scaffold

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Adaptive Algorithms on Maximizing Monotone Nonsubmodular Functions

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Journal of the Operations Research Society of China 2024年第2期12卷 428-445页

作者： Bin Liu Hui su Shu-Fang Gong Qi-zhi Fang School of Mathematical Sciences Ocean Universityof ChinaQingdao266100ShandongChina

submodular optimization is widely used in large *** order to speed up the problems solving,it is essential to design low-adaptive algorithms to achieve acceleration in *** general,the function values are given by a value oracle,but in practice,the oracle queries may consume a lot of ***,how to strike a balance between optimizing them is *** this paper,we focus on maximizing a normalized and strictly monotone set function with the diminishing-return ratio under a cardinality constraint,and propose two algorithms to deal with *** apply the adaptive sequencing technique to devise the first algorithm,whose approximation ratio is arbitrarily close to 1-e^(-γ)in O(logn·log(log k/γ)) adaptive rounds,and requires O(logn^(2)·log(log k/γ)) *** by adding preprocessing and parameter estimation steps to the first algorithm,we get the second *** second algorithm trades a small sacrifice in adaptive complexity for a significant improvement in query *** the same approximation and adaptive complexity,the query complexity is improved *** the best of our knowledge,this is the first paper of designing adaptive algorithms for maximizing a monotone function using the diminishing-return ratio.

关键词： Approximation algorithm Adaptivity Nonsubmodular maximization Cardinality constraint

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Optimization Design of the Multi-Layer Cross-Sectional Layout of An Umbilical Based on the GA-GLM

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China Ocean Engineering 2024年第2期38卷 247-254页

作者： YANG zhi-xun YIN Xu FAN zhi-rui YAN Jun LU Yu-cheng su Qi MAO Yandong WANG Hua-lin Institute of marine machinery College of Mechanical and Electrical EngineeringHarbin Engineering UniversityHarbin 150001China State Key Laboratory of Structural Analysis Optimization and CAE Software for Industrial EquipmentDepartment of Engineering MechanicsDalian University of TechnologyDalian 116024China Ningbo Institube of Dalian University of Technology Ningbo 315040China

Marine umbilical is one of the key equipment for subsea oil and gas exploitation,which is usually integrated by a great number of different functional components with *** layout of these components directly affects manufacturing,operation and storage performances of the *** the multi-layer cross-sectional layout design of the umbilical,a quantifiable multi-objective optimization model is established according to the operation and storage *** the manufacturing factors,the multi-layering strategy based on contact point identification is introduced for a great number of functional ***,the GA-GLM global optimization algorithm is proposed combining the genetic algorithm and the generalized multiplier method,and the selection operator of the genetic algorithm is improved based on the steepest descent *** algorithm is used to find the optimal solution in the global space,which can converge from any initial layout to the feasible layout *** feasible layout solution is taken as the initial value of the generalized multiplier method for fast and accurate ***,taking umbilicals with a great number of components as examples,the results show that the cross-sectional performance of the umbilical obtained by optimization algorithm is better and the solution efficiency is ***,the multi-layering strategy is effective and *** design method proposed in this paper can quickly obtain the optimal multi-layer cross-sectional layout,which replaces the manual design,and provides useful reference and guidance for the umbilical industry.

关键词： umbilical cross-sectional layout multi-layers GA-GLM optimization

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GLUL stabilizes N-Cadherin by antagonizing β-Catenin to inhibit the progresses of gastric cancer

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Acta Pharmaceutica Sinica B 2024年第2期14卷 698-711页

作者： Qiwei Jiang yong Li Songwang Cai Xingyuan Shi Yang Yang Zihao Xing Zhenjie He Shengte Wang Yubin su Meiwan Chen Zhesheng Chen zhi Shi Department of Cell Biology&Institute of Biomedicine National Engineering Research Center of Genetic MedicineState Key Laboratory of Bioactive Molecules and Druggability AssessmentMOE Key Laboratory of Tumor Molecular BiologyGuangdong Provincial Key Laboratory of Bioengineering MedicineCollege of Life Science and TechnologyJinan UniversityGuangzhou 510632China Department of Gastrointestinal surgery&General surgery the Guangdong Provincial People’s HospitalGuangdong Academy of Medical SciencesGuangzhou 510080China Department of Thoracic surgery The First Affiliated Hospital of Jinan UniversityGuangzhou 510632China Department of Radiation Oncology The Fifth Hospital of Guangzhou Medical UniversityGuangzhou 510150China State Key Laboratory of Quality Research in Chinese Medicine Institute of Chinese Medical SciencesUniversity of MacaoMacao 519000China Department of Pharmaceutical Sciences College of Pharmacy and Health SciencesSt.John’s UniversityQueensNY 11439USA

Glutamate-ammonia ligase(GLUL, also known as glutamine synthetase) is a crucial enzyme that catalyzes ammonium and glutamate into glutamine in the ATP-dependent condensation. Although GLUL plays a critical role in multiple cancers, the expression and function of GLUL in gastric cancer remain unclear. In the present study, we have found that the expression level of GLUL was significantly lower in gastric cancer tissues compared with adjacent normal tissues, and correlated with N stage and TNM stage, and low GLUL expression predicted poor survival for gastric cancer patients. Knockdown of GLUL promoted the growth, migration, invasion and metastasis of gastric cancer cells in vitro and in vivo, and vice versa, which was independent of its enzyme activity. Mechanistically, GLUL competed with β-Catenin to bind to N-Cadherin, increased the stability of N-Cadherin and decreased the stability of β-Catenin by alerting their ubiquitination. Furthermore, there were lower N-Cadherin and higher β-Catenin expression levels in gastric cancer tissues compared with adjacent normal tissues. GLUL protein expression was correlated with that of N-Cadherin, and could be the independent prognostic factor in gastric cancer. Our findings reveal that GLUL stabilizes N-Cadherin by antagonizing β-Catenin to inhibit the progress of gastric cancer.

关键词： Gastric cancer GLUL N-Cadherin β-Catenin Enzyme

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