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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

Relationship between seismic structures and the diverse rupture processes of the 2023 Türkiye earthquake doublet

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Science China Earth Sciences 2024年第9期67卷 2810-2823页

作者： zhi WANG Yi FU Shunping pei CAS Key Laboratory of Ocean and Marginal Sea Geology South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China Southern Marine Science and Engineering Guangdong Laboratory(Guangzhou) Guangzhou 511458China Key Laboratory of Tibetan Plateau Earth System Environment and Resources(TPESER)Institute of Tibetan Plateau ResearchChinese Academy of SciencesBeijing 100101China University of Chinese Academy of Sciences Beijing 100049China

Recent geodetic and seismological observations of two major earthquakes in southeastern Türkiye in February 2023 have revealed complex rupture initiation,propagation,and segmentation along the East Anatolian Fault Zone(EAFZ)and surrounding ***,the role of upper crust structures along the EAFZ in determining the diverse rupture processes of this earthquake doublet remains *** further investigate this,we employed double-difference location and seismic tomography techniques to determine high-resolution seismic velocities(V_(P),V_(S))and Poisson’s ratio(σ)structures using a multiparameter joint tomographic *** dataset includes 100,833 high-quality source-receiver travel-time pairs of P-and *** find that the unique rupture processes of this earthquake doublet were primarily influenced by contrasting crustal seismic structures and localized geological *** M_(w)7.8 mainshock was initiated within a transitional edge zone characterized by a rigid part(asperity)of the seismogenic zone with sharp contrast variations in rock strength ranging from low to high along the *** comparison,the M_(w)7.6 rupture originated in a ductile belt featuring fluid saturation with low-VP,low-VS,and high-σvalues that extended parallel to the Cardak *** pronounced contrast structures observed along the former rupture can be attributed to the oblique collision system between the weakened section of the east Anatolian plateau and the brittle Arabian platform,while the latter rupture was initiated within the ductile structure associated with fluid intrusion caused by the northward subduction of the Cyprus slab and subsequent ***,the occurrence of the first earthquake(E1)serves to alleviate shear stress on the second earthquake(E2)fault,potentially impeding the initiation of an E2 *** the contrary,this event also significantly reduces the normal stress acting on the E2 fault due to a double left-lateral strike-slip system

关键词： 2023 Turkiye earthquake doublet Joint seismic tomography Tomographic transition edge Seismic rupture process Strong fault coupling

Deciphering a Million-Plus RSA Integer with Ultralow Local Field Coefficient h and Coupling Coefficient J of the Ising Model by D-Wave 2000Q

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Tsinghua Science and Technology 2024年第3期29卷 874-882页

作者： Chao Wang Qiaoyun Hu Haonan Yao Sumin Wang zhi pei Joint International Research Laboratory of Specialty Fiber Optics and Advanced Communication Shanghai UniversityShanghai 200444China

This work is the first to determine that a real quantum computer(including generalized and specialized)can decipher million-scale RSA relying solely on quantum algorithms,showing the real attack potential of D-Wave *** influence of different column widths on RSA factorization results is studied on the basis of a multiplication table,and the optimal column method is determined by traversal *** traversal experiment of integer factorization within 10000 shows that the local field and coupling coefficients are 75%–93%lower than the research of Shanghai University in 2020 and more than 85%lower than that of Purdue University in *** low Ising model parameters are crucial to reducing the hardware requirements,prompting factoring 1245407 on the D-Wave 2000Q real machine.D-Wave advantage already has more than 5000 qubits and will be expanded to 7000 qubits during 2023–2024,with remarkable improvements in decoherence and *** machine is expected to promote the solution of large-scale combinatorial optimization *** of the contributions of this paper is the discussion of the long-term impact of D-Wave on the development of post-quantum cryptography standards.

关键词： quantum annealing RSA D-Wave 2000Q post-quantum cryptography

Risk stratification in gastric cancer lung metastasis: Utilizing an overall survival nomogram and comparing it with previous staging

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World Journal of Gastrointestinal Surgery 2024年第2期16卷 357-381页

作者： zhi-Ren Chen Mei-Fang yang zhi-Yuan Xie pei-An Wang Liang Zhang Ze-Hua Huang Yao Luo Department of Science and Education Xuzhou Medical UniversityXuzhou Clinical CollegeXuzhou 221000Jiangsu ProvinceChina Department of Neurology Xuzhou Medical UniversityXuzhou 221000Jiangsu ProvinceChina Department of Neurology Clinical LaboratoryGastrointestinal SurgeryCentral Hospital of XuzhouCentral Hospital of XuzhouXuzhou 221000Jiangsu ProvinceChina Department of Public Health Xuzhou Central HospitalXuzhou 221000Jiangsu ProvinceChina Department of Gastroenterology Xuzhou Centre HospitalXuzhou 221000Jiangsu ProvinceChina Department of Public Health Xuzhou Medical UniversityXuzhou 221000Jiangsu ProvinceChina

BACKGROUND Gastric cancer(GC)is prevalent and aggressive,especially when patients have distant lung metastases,which often places patients into advanced *** identifying prognostic variables for lung metastasis in GC patients,it may be po-ssible to construct a good prediction model for both overall survival(OS)and the cumulative incidence prediction(CIP)plot of the *** To investigate the predictors of GC with lung metastasis(GCLM)to produce nomograms for OS and generate CIP by using cancer-specific survival(CSS)*** Data from January 2000 to December 2020 involving 1652 patients with GCLM were obtained from the Surveillance,epidemiology,and end results program *** major observational endpoint was OS;hence,patients were se-parated into training and validation *** analysis determined va-rious *** and multivariate Cox analyses validated the independent predictive *** distinction and calibration were performed with the time-dependent area under the curve(AUC)and calibration *** evaluate the accuracy and clinical usefulness of the nomograms,decision curve analysis(DCA)was *** clinical utility of the novel prognostic model was compared to that of the 7th edition of the American Joint Committee on Cancer(AJCC)staging system by utilizing Net Reclassification Improvement(NRI)and Integrated Discrimination Improvement(IDI).Finally,the OS prognostic model and Cox-AJCC risk stratification model modified for the AJCC system were *** For the purpose of creating the OS nomogram,a CIP plot based on CSS was *** multivariate regression analysis identified eleven significant prognostic factors(P0),time-de-pendent ROC curve(training/v

关键词： Gastric cancer Lung metastasis Nomograms Surveillance Epidemiology Surveillance epidemiology and end results program database Overall survival Prognosis

Interpretation and characterization of rate of penetration intelligent prediction model

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Petroleum Science 2024年第1期21卷 582-596页

作者： zhi-Jun pei Xian-zhi Song Hai-Tao Wang Yi-Qi Shi Shou-Ceng Tian Gen-Sheng Li College of Petroleum Engineering China University of Petroleum(Beijing)Beijing102249China State Key Laboratory of Petroleum Resources and Prospecting Beijing102249China Kunlun Digital Technology Co. Ltd.Beijing102206China

Accurate prediction of the rate of penetration(ROP)is significant for drilling *** the intelligent ROP prediction model based on fully connected neural networks(FNN)outperforms traditional ROP equations and machine learning algorithms,its lack of interpretability undermines its *** study proposes a novel interpretation and characterization method for the FNN ROP prediction model using the Rectified Linear Unit(ReLU)activation *** leveraging the derivative of the ReLU function,the FNN function calculation process is transformed into vector *** FNN model is linearly characterized through further simplification,enabling its interpretation and *** proposed method is applied in ROP prediction scenarios using drilling data from three vertical wells in the Tarim *** results demonstrate that the FNN ROP prediction model with ReLU as the activation function performs exceptionally *** relative activation frequency curve of hidden layer neurons aids in analyzing the overfitting of the FNN ROP model and determining drilling data *** the well sections with similar drilling data,averaging the weight parameters enables linear characterization of the FNN ROP prediction model,leading to the establishment of a corresponding linear representation ***,the quantitative analysis of each feature's influence on ROP facilitates the proposal of drilling parameter optimization schemes for the current well *** established linear characterization equation exhibits high precision,strong stability,and adaptability through the application and validation across multiple well sections.

关键词： Fully connected neural network Explainable artificial intelligence Rate of penetration ReLU active function Deep learning Machine learning

Alkyl Radical Initiated Cyclization/Cascade for Synthesizing Lactam-Substituted Alkyl Sulfones

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Chinese Journal of Chemistry 2024年第16期42卷 1853-1859页

作者： Li-Jun Wu Kai-Yi Zhang pei yang Chuan-Chong Peng Jin-Hui Liu Qing Li Da-zhi Sun Shuangfeng Yin College of Sciences Central South University of Forestry and TechnologyChangshaHunan410004 China School of Chemistry and Chemical Engineering Inner Mongolia UniversityHohhotInner Mongolia010021 China

An alkyl radical initiated cyclization/tandem reaction of alkyl bromides and alkyl electrophiles by using potassium metabisulphite(K_(2)S_(2)O_(5))as a connector is developed for the synthesis of various lactam-substituted alkyl ***,this process does not require a metal catalyst or metal powder reductant,highlighting its environmentally friendly *** reaction demonstrates outstanding substrate adaptability and a high tolerance towards diverse functional ***,the biologically active molecules and commercially available drugs with a late-stage modification are also highly compatible with this *** studies revealed that the reaction proceeds through a single-step process involving intramolecular radical cyclization,"SO_(2)"insertion,and external alkyl incorporation.

关键词： Alkyl radical Metal-free catalyzed Cyclization/cascade Potassium metabisulphite Electrophiles Alkyl sulfones Lactams Alkyl bromides Sodium formate

Chlorajaponins A—Q,Lindenane-Related Sesquiterpenoid Dimers from Chloranthus japonicus and Their Biological Activities

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Chinese Journal of Chemistry 2024年第11期42卷 1247-1259页

作者： Wei-Jiao Feng Yue Gu pei-zhi Huang Hong-Ying yang Rui Zhang Yi-Lin He Ting-Hong Lv Ya Li Kun Gao State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical EngineeringLanzhou UniversityLanzhouGansu730000 China Research Institute Lanzhou Jiaotong UniversityLanzhouGansu730070 China

Seventeen undescribed lindenane-related sesquiterpenoid dimers,chlorajaponins A—Q(1—17),and 13 reported analogs(18—30)were isolated from Chloranthus japonicus *** 1 possesses an unprecedented 3/5/7/5/5/6/5/3 fused octacyclic scaffold,featuring a 6(5→4)-abeo-lindenane monomer,while 2 exhibits a 3/5/6/6/5/6/5/3 fused octacyclic *** structures were determined through a combination of spectroscopic analyses and X-ray *** 1,2,and 18 demonstrated significant inhibitory effects on lipid accumulation and effectively reduced the levels of triglycerides and total cholesterol,as well as the levels of aspartate aminotransferase and alanine aminotransferase in a HepG2 cell *** addition,compounds 1,2,and 18 significantly suppressed the protein expression of the fatty acid synthase(FASN)and the sterol regulatory element-binding protein 1(SREBP1).Moreover,the anti-inflammatory assay showed that compounds 19—22 and 25 inhibited the NO production induced by lipopolysaccharide in RAW 264.7 macrophages with IC50 values of 7.89±0.44,6.25±0.46,2.98±0.29,10.77±0.60,and 3.60±0.28μmol/L.

关键词： Chloranthus japonicus Lindenane-type sesquiterpenoid dimers Lipid-lowering activity Anti-inflammatory activity NMR spectroscopy Natural products X-ray diffraction

Inhibition of viability of human retinal microvascular endothelial cells by vialinin A under high glucose condition

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International Journal of Ophthalmology(English edition) 2024年第10期17卷 1809-1815页

作者： zhi-Gang Chen Gao-Qin Liu Wei-Ming Liu pei-Rong Lu Department of Ophthalmology the First Affiliated Hospital of Soochow UniversitySuzhou 215006Jiangsu ProvinceChina Jiangsu Clinical Immunology Institute the First Affiliated Hospital of Soochow UniversitySuzhou 215006Jiangsu ProvinceChina

AIM:To investigate the effects of vialinin A on viability of human retinal endothelial cells(HRECs)under high glucose condition and its potential ***:The HRECs were divided into four groups:normal glucose control group(NG,5 mmol/L D-glucose),high glucose group(HG,30 mmol/L D-glucose),HG+1μmol/L vialinin A group,and HG+5μmol/L vialinin A *** cell viabilities were measured with cell counting kit-8(CCK-8)assay for proliferation,with scratch assay for migration,and tube formation,for evaluation of the impact of vialinin A on cellular ***-time PCR and Western blotting were used to determine the expression level of vascular endothelial growth factor(VEGF).RESULTS:The proliferative capacity and migration of HRECs was reduced by 5μmol/L vialinin A in high glucose environment(both P<0.05).Vialinin A also inhibited highglucose-induced tube formation of *** expression level of VEGF and PI3K in HRECs was also significantly decreased by vialinin A(P<0.05).CONCLUSION:Vialinin A inhibits the cell viability of *** may serve as a potential target for anti-angiogenic therapy.

关键词： vialinin A vascular endothelial growth factor human retinal endothelial cells cell viability

Self-Powered Absorptive Reconfigurable Intelligent Surfaces for Securing Satellite-Terrestrial Integrated Networks

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China Communications 2024年第9期21卷 276-291页

作者： Lin zhi Niu Hehao He Yuanzhi An Kang Zhong Xudong Chu Zheng Xiao pei College of Electronic Engineering National University of Defense TechnologyHefei 230037China Sixty-Third Research Institute National University of Defense TechnologyNanjing 210007China Institute of Systems Engineering Academy of Military ScienceBeijing 100141China Department of Electrical and Electronic Engineering University of Nottingham Ningbo ChinaNingbo 315100China Institute for Communication Systems University of SurreyGuildford GU27XHU.K.

Satellite communications have attracted significant interests due to its advantages of large footprint and massive ***,the commonly used onboard beamforming is hard to achieve reliable security because of the highly correlated legitimate and wiretap downlink *** exploit the benefits of satellite-terrestrial integrated network(STIN)and a novel absorptive reconfigurable intelligent surface(RIS)for improving the security of satellite downlink communications(SDC)in the presence of eavesdroppers(Eves).This paper aims to maximize the achievable secrecy rate of the earth station(ES)while satisfying the signal reception constraints,harvested power threshold at the RIS,and total transmit power *** solve this nonconvex problem,we propose a penalty-function based dual decomposition scheme,which firstly transforms the original problem into a two-layer optimization ***,the outer layer and inner problems are solved by utilizing the successive convex approximation,Lagrange-dual and Rayleigh quotient methods to obtain the beamforming weight vectors and the reflective coefficient ***,simulation results verify the effectiveness of the proposed scheme for enhancing the SDC security.

关键词： absorptive RIS beamforming design secure communications STIN