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Inhibition of thrombin by functionalized C_(60)nanoparticles revealed via in vitro assays and in silico studies

Journal of Environmental Sciences 2018年第1期30卷 285-295页

作者： Yanyan liu Jianjie Fu Wenxiao pan Qiao Xue xian liu Aiqian Zhang State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China College of Resources and Environment University of Chinese Academy of SciencesBeijing 100190China Institute of Environment and Health Jianghan UniversityWuhan 430056China

The studies on the human toxicity of nanoparticles（NPs） are far behind the rapid development of engineered functionalized NPs. Fullerene has been widely used as drug carrier skeleton due to its reported low risk. However, different from other kinds of NPs, fullerene-based NPs（C_（60） NPs） have been found to have an anticoagulation effect, although the potential target is still unknown. In the study, both experimental and computational methods were adopted to gain mechanistic insight into the modulation of thrombin activity by nine kinds of C_（60） NPs with diverse surface chemistry properties. In vitro enzyme activity assays showed that all tested surface-modified C_（60） NPs exhibited thrombin inhibition ability. Kinetic studies coupled with competitive testing using 3 known inhibitors indicated that six of the C_（60） NPs, of greater hydrophobicity and hydrogen bond（HB） donor acidity or acceptor basicity, acted as competitive inhibitors of thrombin by directly interacting with the active site of thrombin. A simple quantitative nanostructure-activity relationship model relating the surface substituent properties to the inhibition potential was then established for the six competitive *** docking analysis revealed that the intermolecular HB interactions were important for the specific binding of C_（60） NPs to the active site canyon, while the additional stability provided by the surface groups through van der Waals interaction also play a key role in the thrombin binding affinity of the NPs. Our results suggest that thrombin is a possible target of the surface-functionalized C_（60） NPs relevant to their anticoagulation effect.

关键词： Thrombin C_(60) nanoparticle(NP) Surface modification Activity inhibition Quantitative nanostructure-activity relationship Molecular docking

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Controlled Quantum Network Coding Without Loss of Information

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Computers, Materials & Continua 2021年第12期69卷 3967-3979页

作者： Xiu-Bo pan Xiu-Bo Chen Gang Xu Haseeb Ahmad Tao Shang Zong-Peng li Yi-xian Yang Information Security Center State Key Laboratory of Networking and Switching TechnologyBeijing University of Posts and TelecommunicationsBeijing100876China School of Information Science and Technology North China University of TechnologyBeijing100144China Department of Computer Science National Textile University Faisalabad37610Pakistan School of Cyber Science and Technology Beihang UniversityBeijing100083China Huawei Technologies Co.Ltd. Shenzhen518129China School of Computer Science Wuhan UniversityWuhan430072China

Quantum network coding is used to solve the congestion problem in quantum communication,which will promote the transmission efficiency of quantum information and the total throughput of quantum *** propose a novel controlled quantum network coding without information *** effective transmission of quantum states on the butterfly network requires the consent form a third-party controller ***,two pairs of threeparticle non-maximum entangled states are pre-shared between senders and *** adding auxiliary particles and local operations,the senders can predict whether a certain quantum state can be successfully transmitted within the butterfly network based on the Z-{10>,|1>}***,when trans-mission fails upon prediction,the quantum state will not be lost,and it will sill be held by the ***,the controller Charlie re-prepares another three-particle non-maximum entangled state to start a new *** the predicted transmission is successful,the quantum state can be transmitted successfully within the butterfly *** the receiver wants to receive the effective quantum state,the quantum measurements from Charlie are ***,when the transmission fails,Charlie does not need to integrate the X-{1+>,1->}basis to measure its own particles,by which quantum resources are *** not only controls the effective transmission of quantum states,but also the usage of classical and quantum ***,the implementation of the quantum circuits,as well as a flow chart and safety analysis of our scheme,is proposed.

关键词： Controlled quantum network coding without information loss quantum teleportation perfect transmission

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Structures of sodium vanadate solution under different conditions

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Rare Metals 2018年第1期37卷 59-65页

作者： Ya-li Zhang li-Qun Yang xian-Jin Yu School of Chemical Engineering Shandong University of Technology

Combined with Fourier transform infrared spectroscopy（FTIR） analysis of sodium vanadate solution,the relationship between conductivity and structure was investigated by measuring the electric conductivity of the solution under different alkali concentrations and molar ratios of NaOH to V2O5. Results suggest that the polymerization vanadium acid radical ions gradually transform into monomer with the solution diluting. When the solution is diluted to a certain extent,only the vanadium acid radical ion with V-OH chemical bond exists in the solution. At NaOH concentration of below 105.21 g·L^（-1）,the vanadate anions mainly exist in the form of vanadium acid radical ion with V-OH chemical bond and the ion transference number is approximately from 0.58 to 0.82. In the medium NaOH concentration range of 105.21-117.03 g·L^（-1）, the vanadate anions mostly exist in the form of vanadium acid radical ion with V-OH and V-O-V chemical bonds and the ion transference number is approximately 3.29. At NaOH concentration of above 117.03 g·L^（-1）, vanadate anions exist in the form of vanadium acid radical ion with V-OH and V-O-V chemical bonds.

关键词： Sodium vanadate solution Electric conductivity Migration number Infrared spectroscopy

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Syndiospecific Polymerization of Styrene Catalyzed by Half-titanocenes Containing Monodentate Anionic Nitrogen ligands

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Chinese Journal of Chemistry 2021年第10期39卷 2815-2822页

作者： Dan-Dan pan Ke-Xin Fan Shu Zhang Yi-xian Wu State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBeijing100029 China

Main observation and conclusion Styrene polymerization catalyzed by the half-titanocenes CpTiCl_(2)[1,3-R_(2)(CH_(2)N)_(2)C=N](6b:R=_(2),6-Me_(2)C_(6)H_(3),T_(4):R=_(2),4,6-Me_(3)C_(6)H_(2);T5:R=_(2),6-iPr_(2)C_(6)H_(3))was carried out in the presence of methylaluminoxane(MAO).Compared to the styrene conversion(31%)and syndiospecific index(45%)using reported 6b as precatalyst,T5 bearing ligand with isopropyl substitutes on the N-aryl-rings exhibits much higher styrene conversion(61%)and syndiospecific index(99%),indicating that the catalytic behavior could be improved obviously by the introduction of electronic donating and steric bulky *** N atom in imidazolin-_(2)-iminato ligand was replaced by O atom,affording half-titanocenes CpTiCl_(_(2))[3-C6H5(CH_(2)N)(CH_(2)O)C=N(T1)and CpTiCl_(_(2))[_(2),6-Me_(2)(C6H3O)(NiPr_(2))C=N](T_(2)).Compared to 6b,both higher styrene conversion and syndiospecific index are afforded by using half-titanocene T1 containing_(2)-imino-3-phenyloxazolidine *** the results illustrate that both the chemical structure and the nature of substituents of the ligand have obvious influence on the styrene conversion and syndiospecific index in the polymerization of *** the resulting syndiotactic polystyrenes(sPSs)are highly syndiospecific(rrr>99%).Correspondingly,the sPS prepared using T5/MAO catalytic system exhibits high melting point and narrow molecular weight *** results might show new light on designing more efficient half-titanocenes for styrene polymerization with both high styrene conversion and high syndiospecific selectivity.

关键词： Polymerization Metallocenes N ligands Syndiospecific polymerization Polystyrene

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A multiscale Galerkin method for the hypersingular integral equation reduced by the harmonic equation

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Applied Mathematics(A Journal of Chinese Universities) 2013年第1期28卷 75-89页

作者： li Song-hua xian Jun Department of Mathematics Hunan institute of science and technology Department of Mathematics and Guangdong Province Key Laboratory of Computational Science Sun Yat-sen University

The aim of this paper is to investigate the numerical solution of the hypersingular integral equation reduced by the harmonic equation. First, we transform the hypersingular integral equation into 2π-periodic hypersingular integral equation with the map x=cot（θ/2）. Second, we initiate the study of the multiscale Galerkin method for the 2π-periodic hypersingular integral equation. The trigonometric wavelets are used as trial functions. Consequently, the 2j＋1 × 2j＋1 stiffness matrix Kj can be partitioned j×j block matrices. Furthermore, these block matrices are zeros except main diagonal block matrices. These main diagonal block matrices are symmetrical and circulant matrices, and hence the solution of the associated linear algebraic system can be solved with the fast Fourier transform and the inverse fast Fourier transform instead of the inverse matrix. Finally, we provide several numerical examples to demonstrate our method has good accuracy even though the exact solutions are multi-peak and almost singular.

关键词： Trigonometric wavelet multiscale Galerkin method matrix decomposition FFT hypersingular integral equation harmonic equation.

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Morphological traits for sex identification of the oriental armyworm,Mythimna separata(Lepidoptera:Noctuidae)

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Journal of Integrative Agriculture 2020年第6期19卷 1458-1463页

作者： CHEN lin pan Qin-jian Muhammad Saad WAQAS liU Tong-xian State Key Laboratory of Crop Stress Biology for Arid Areas/Key Laboratory of Integrated Pest Management on the Loess Plateau Ministry of AgricultureNorthwest A&F UniversityYangling 712100P.R.China State Key Laboratory of Rice Biology/MOA Key Lab of Molecular Biology of Crop Pathogens and Insects/Institute of Insect Sciences Zhejiang UniversityHangzhou 310058P.R.China

The oriental armyworm,Mythimna separata(Lepidoptera:Noctuidae)is a harmful pest which causes heavy loss in agricultural *** identification of *** is very important for understanding the biology and management of this *** of fast and convenient methods to identify *** female and male is the necessary prerequisite for con ducting gender-related *** this study,new methods to differentiate sex of *** at pupal and adult stages were *** results showed that posterior abdominal segments containing genital organs which are morphological traits to differentiate female and *** openings are important characters for the female and male pupae *** female pupa,it locates on the ventral side of eighth and ninth abdominal segments and appears as a visible longitudinal suture;for male pupa,it locates on the ventral side of the ninth abdominal segment and appears as a short slit surrounded by a pair of visible semicircular *** numbers are another indicator for sex differentiation of *** female has three-bristled frenulum and each male has one bristled-frenulum near the base of hind wing of each side of moth *** confirmed the two sex differentiation methods manually by dissecting genitalia of adults and found their genger was as same as what we examined the sex of pupae and adults using the morphological methods.

关键词： sex identification pupa and adult genital opening frenulum genitalia

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A"One Engine with Six Gears"System Engineering Methodology for the Economic Development of Unconventional Oil and Gas in China

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Engineering 2022年第11期18卷 105-115页

作者： Guoxin li Chenggang xian He liu State Key Laboratory of Petroleum Resources and Prospecting China University of Petroleum(Beijing)Beijing 102249China PetroChina Qinghai Oil Co. Ltd.Mangya 817500China PetroChina Research Institute of Petroleum Exploration&Development Beijing 100083China

Unconventional oil and gas resources have become the most important and realistic field for increasing China’s domestic oil and gas reserves and *** present,the production scale does not match the massive amount of resources and the rapid growth of proven geological *** challenges of technology,cost,management,and methodology restrict large-scale and economic *** on successful practices,a"one engine with six gears"system engineering methodology is put forward,which includes life-cycle management,overall synergy,interdisciplinary cross-service integration,marketoriented operation,socialized support,digitalized management,and low-carbon and green *** methodology has been proved to be effective in multiple unconventional oil and gas national demonstration areas,including the Jimusar continental shale oil demonstration *** views are introduced-namely,that unconventional oil and gas do not necessarily yield a low return,nor do they necessarily have a low recovery factor.A determination to achieve economic benefit must be a pervasive underlying goal for managers and *** and recovery factors,as primary focuses,must be adhered to during China’s development of unconventional oil and *** required methodology transformation includes a revolution in management systems to significantly decrease cost and increase production,resulting in technological innovation.

关键词： Unconventional oil and gas resources System engineering Methodology transformation life-cycle management Geoscience-to-engineering integration

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Evaluation of All-Sky Assimilation of FY-3C/MWHS-2 on Mei-yu Precipitation Forecasts over the Yangtze-Huaihe River Basin

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Advances in Atmospheric Sciences 2021年第8期38卷 1397-1414页

作者： Yu li Keyi CHEN Zhipeng xian School of Atmospheric Sciences Chengdu University of Information TechnologyChengdu 610025China International Center for Climate and Environment Sciences Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China University of Chinese Academy of Sciences Beijing 100049China

All-sky (i.e., clear, cloudy, and precipitating conditions) assimilation of microwave observations shows potentially positive impacts on the improvement of the forecasts of cloud-associated weather processes. In this study, a typical mei-yu heavy precipitation event that occurred in 2017 was investigated, and the Weather Research and Forecasting data assimilation (WRFDA) as well as its 3D-Var assimilation scheme (excluding cloud and precipitation control variables) were applied to assimilate the Fengyun-3C (FY-3C) Microwave Humidity Sounder-2 (MWHS-2) observations under clear- sky (excluding the observations that are strongly affected by ice clouds and precipitation) and all-sky conditions. Three experiments including a control experiment without assimilating any observations, clear-sky, and all-sky experiments with only FY-3C/MWHS-2 observations assimilated were carried out. The results show that the all-sky assimilation approach that provides more cloud and precipitation information and increased more than 10% of the satellite data usage than the clear-sky experiment. Meanwhile, as compared with the control experiment, the all-sky assimilation reduced nearly 0.5% of the root mean square errors in the humidity fields, leading to more accurate forecast performances regarding the distribution and intensity of heavy rainfall;but it exhibited a neutral to negative impacts on the wind and temperature. Although the system used to conduct all-sky assimilation is only able to adjust control variables for moisture-, wind-, and temperature- related variables in the presence of cloud and does not benefit directly from cloud or precipitation information, the positive effects on heavy rainfall forecasts achieved in this study indicate a potential future benefit regarding disaster prevention and mitigation.

关键词： all-sky assimilation FY-3C MWHS-2 mei-yu rainfall

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A Necessary and Sufficient Condition for the Solvability of the Nonlinear Schr?dinger Equation on a Finite Interval

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Acta Mathematicae Applicatae Sinica 2021年第1期37卷 75-100页

作者： Ruo-meng li xian-guo GENG Zhengzhou University Zhengzhou 450001China

The admissibility of the initial-boundary data,which characterizes the existence of solution for the initial-boundary value problem,is *** on the Fokas method and the inverse scattering transformation,an approach is developed to solve the initial-boundary value problem of the nonlinear Schrodinger equation on a finite interval.A necessary and sufficient condition for the admissibility of the initial-boundary data is given,and the reconstruction of the potential is obtained.

关键词： initial-boundary value problems inverse scattering transform method Fokas method

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Semi-Varying Coefficient panel Data Model with Technical Indicators Predicts Stock Returns in Financial Market

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Journal of Systems Science & Complexity 2024年第4期37卷 1638-1652页

作者： HU Xuemei pan Ying li xiang School of Mathematics and Statistics Chongqing Technology and Business UniversityChongqing 400067China Chongqing Key Laboratory of Social Economy and Applied Statistics Chongqing 400067China Research Center for Economy of Upper Reaches of the Yangtse River Chongqing Technology and Business UniversityChongqing 400067China

Accurately predicting stock returns is a conundrum in financial *** this conundrum can bring huge economic benefits for investors and also attract the attention of all circles of *** this paper the authors combine semi-varying coefficient model with technical analysis and statistical learning,and propose semi-varying coefficient panel data model with individual effects to explore the dynamic relations between the stock returns from five companies:CVX,DFS,EMN,LYB,and MET and five technical indicators:CCI,EMV,MOM,ln ATR,ln RSI as well as closing price(ln CP),combine semi-parametric fixed effects estimator,semi-parametric random effects estimator with the testing procedure to distinguish fixed effects(FE) from random effects(RE),and finally apply the estimated dynamic relations and the testing set to predict stock returns in December 2020 for the five *** proposed method can accommodate the varying relationship and the interactive relationship between the different technical indicators,and further enhance the prediction accuracy to stock returns.

关键词： Fixed effects random effects semi-varying coefficient panel data model stock returns technical indicators

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