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Synthesis,Structures,and Fluorescence Property of a Novel Heterometallic Complex Constructed by Imidazole

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Chinese Journal of Structural Chemistry 2020年第5期39卷 942-948页

作者： LI sa-Ying Department of Chemistry Chemical Engineering Shaanxi Xueqian Normal UniversityXi'an 710100China

A novel heterometallic complex constructed by imidazole ligand,CoZn(C3N2H3)4(1),has been synthesized under hydrothermal *** 1 was characterized by IR spectra,thermal analysis,powder X-ray diffraction and single-crystal X-ray ***-crystal X-ray diffraction studies reveals that compound 1 is in the tetragonal system,space group I41cd with a=23.4371(5),b=23.4371(5),c=12.4430(7)?,V=6834.9(4)?3,Z=16,C12H12CoN8Zn,Mr=392.60,Dc=1.526 g/cm^3,F(000)=3152,μ=2.381 mm–1,R=0.0323 and w R=*** CoZn(C3N2H3)4 is one-dimensional heterometallic molecular chains,which are further extended into a 3D open ***,the solid-state fluorescence property of the complex has also been investigated at room temperature.

关键词： heterometallic complex crystal structure fluorescence property

A location-based fog computing optimization of energy management in smart buildings:DEVS modeling and design of connected objects

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Frontiers of Computer Science 2023年第2期17卷 179-195页

作者： Abdelfettah maATOUG Ghalem BELALEM saïd maHMOUDI Computer Science Department Faculty of Exact and Applied SciencesUniversity of Oran 1 Ahmed Ben BellaOran 31000Algeria Science and Technology Department Faculty of Science and TechnologyUniversity of TIARETTiaret 14000Algeria Computer Science Department Faculty of EngineeringUniversity of MonsMons 7000Belgium

Nowadays,smart buildings rely on Internet of things(loT)technology derived from the cloud and fog computing paradigms to coordinate and collaborate between connected *** is characterized by low latency with a wider spread and geographically distributed nodes to support mobility,real-time interaction,and location-based *** provide optimum quality of user life in moderm buildings,we rely on a holistic Framework,designed in a way that decreases latency and improves energy saving and services efficiency with different *** EVent system Specification(DEVS)is a formalism used to describe simulation models in a modular *** this work,the sub-models of connected objects in the building are accurately and independently designed,and after installing them together,we easily get an integrated model which is subject to the fog computing *** results show that this new approach significantly,improves energy efficiency of buildings and reduces ***,with DEVS,we can easily add or remove sub-models to or from the overall model,allowing us to continually improve our designs.

关键词： smart building energy consumption IoT fog computing Framework DEVS simulation models

TRANSVERSE ENERGY DISTRIBUTION FOR REACTION 32S+NUCLEUS AT 200A GeV

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Chinese Physics Letters 1990年第4期7卷 170-173页

作者： LU Zhongdao sa Benhao Institute of Atomic Energy Beijing 102413

By using multiple collision model the transverse energy distributions in reactions of ^(32)S+ nuclides at 200A GeV are *** geometry effects both for projectile and target are discussed.

关键词： transverse collision geometry

Artificial intelligence-based predictive model of nanoscale friction using experimental data

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Friction 2021年第6期9卷 1726-1748页

作者： marko PERČIĆ saša ZELENIKA Igor MEZIĆ University of Rijeka Faculty of Engineering51000 RijekaCroatia University of Rijeka Centre for Micro-and Nanosciences and Technologies&Center for Artificial Intelligence and Cybersecurity51000 RijekaCroatia University of California santa Barbara Department of Mechanical EngineeringSanta BarbaraCA 93105USA

A recent systematic experimental characterisation of technological thin films,based on elaborated design of experiments as well as probe calibration and correction procedures,allowed for the first time the determination of nanoscale friction under the concurrent influence of several process parameters,comprising normal forces,sliding velocities,and temperature,thus providing an indication of the intricate correlations induced by their interactions and mutual *** created the preconditions to undertake in this work an effort to model friction in the nanometric domain with the goal of overcoming the limitations of currently available models in ascertaining the effects of the physicochemical processes and phenomena involved in nanoscale *** to the stochastic nature of nanoscale friction and the relatively sparse available experimental data,meta-modelling tools fail,however,at predicting the factual *** on the acquired experimental data,data mining,incorporating various state-of-the-art machine learning(ML)numerical regression algorithms,is therefore *** results of the numerical analyses are assessed on an unseen test dataset via a comparative statistical *** is therefore shown that the black box ML methods provide effective predictions of the studied correlations with rather good accuracy levels,but the intrinsic nature of such algorithms prevents their usage in most practical *** programming-based artificial intelligence(AI)methods are consequently finally *** the marked complexity of the analysed phenomena and the inherent dispersion of the measurements,the developed AI-based symbolic regression models allow attaining an excellent predictive performance with the respective prediction accuracy,depending on the sample type,between 72%and 91%,allowing also to attain an extremely simple functional description of the multidimensional dependence of nanoscale friction on the studied variable process param

关键词： nanoscale friction thin films data mining machine learning(ML) predictive artificial intelligence(AI)-based model

Enhancing hydrogen evolution of MoS_(2) basal planes by combining single-boron catalyst and compressive strain

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Frontiers of physics 2020年第6期15卷 1-12页

作者： Zhitao Cui Wei Du Chengwei Xiao Qiaohong Li Rongjian sa Chenghua Sun Zuju ma School of Environmental and materials Engineering Yantai UniversityYantai 264005China School of materials Science and Engineering Anhui University of TechnologyMaanshan 243002China State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China Institute of Oceanography Ocean CollegeMinjiang UniversityFuzhou 350108China Department of Chemistry and Biotechnology Faculty of ScienceEngineering&TechnologySwinburne University of TechnologyHawthornVIC 3122Australia

M0 S2 is a promising candidate for hydrogen evolution reaction(HER),while its active sites are mainly distributed on the edge sites rather than the basal plane ***,a strategy to overcome the inertness of the M0 S2 basal surface and achieve high HER activity by combining single-boron catalyst and compressive strain was reported through density functional theory(DFT)*** ab initio molecular dynamics(AIMD)simulation on B@MoS2 suggests high thermodynamic and kinetic *** found that the rather strong adsorption of hydrogen by B@MoS2 can be alleviated by stress *** optimal stress of -7%can achieve a nearly zero value of △Gh(〜-0.084 eV),which is close to that of the ideal Pt-saCs for *** novel HER activity is attributed to(i)the Bdoping brings the active site to the basal plane of M0 S2 and reduces the band-gap,thereby increasing the conductivity;(ii)the compressive stress regulates the number of charge transfer between(H)-(B)-(MoS2),weakening the adsorption energy of hydrogen on B@***,we constructed a SiN/B@MoS2 heterojunction,which introduces an 8.6%compressive stress for B@MoS2 and yields an ideal AGh-This work provides an effective means to achieve high intrinsic HER activity for M0 S2.

关键词： M0S2 stress engineering single-atom catalyst HER charge transfer DFT heteroj unctions

Synergic catalysis of W and Ni originating from substitution of trivacant phosphotungstate for the selective oxidation of aniline to azoxybenzene

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Chinese Chemical Letters 2024年第2期35卷 558-563页

作者： Sheng Cai Xiao-Yuan Wu Weiming Wu sa-sa Wang Can-Zhong Lu CAS Key Laboratory of Design and Assembly of Functional Nanostructures and Fujian Provincial Key Laboratory of NanomaterialsFujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China College of Chemistry and materials Science Fujian Normal UniversityFuzhou 350117China Xiamen Institute of Rare Earth materials Chinese Academy of SciencesXiamen 361021China University of Chinese Academy of Sciences Beijing 100049China

Partial substitution of polyoxometalate(POM)is an efficient route to modulate the catalytic property of maternal *** this work,a new Keggin type POM involving{Ni 6}cluster,{[Ni(H_(2)O)_(2)(Dach)_(2)][Ni(Dach)_(2)]_(2)}{[Ni_(6)Cl(μ-OH)_(3)(H_(2)O)(Dach)_(3)(WO_(4))(PW9 O_(3)_(4))][Ni_(6)(μ-OH)_(3)(H_(2)O)_(2)(Dach)_(3)(WO_(4))(PW9 O_(3)_(4))]}Cl·27H_(2)O,(1,Dach=1,2-diaminocyclohexane)was *** 1 shows excellent catalytic performance in the selective oxidation of aniline to azoxybenzene(AOB)in *** apparently different results from that with the matrix{PW_(9)O_(34)}({PW9})suggest the successful regulation of the catalytic property of{PW9}by the introduction of the{Ni6}cluster into the *** experimental results indicate that the highlighted performance of 1 is contributed by the synergy of W and Ni sites,which are respectively responsible for the oxidation and condensation steps in the production of *** good selectivity to AOB is essentially attributed to the effective modulation of the reaction rates of oxidation and condensation steps by W and Ni sites,respectively.

关键词： Polyoxometalate {Ni_(6)}cluster Modulated catalytic property Aniline oxidation Azoxybenzene

salinity Distribution at Canal Istanbul and Its Possible Impacts on the Northern marmara Sea

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China Ocean Engineering 2020年第6期34卷 881-888页

作者： Şehriban saÇU Tarkan ERDIK OlgayŞEN Istanbul Technical University MaslakIstanbul 34467Turkey

Turkey has announced its plan to construct a new waterway, Canal Istanbul, parallel to the Bosphorus. In this study,the influence of Canal Istanbul on salinity distribution in the northern marmara Sea is investigated using a previously calibrated 3 D hydrodynamic and salinity model. Moreover, the salinity field of the canal and its propagation are examined based on various meteorological cases. Finally, the flow structure of the canal is determined. It is calculated that at the southern end of the canal, mainly unidirectional flow(from the Black Sea to the marmara Sea)occurs during 68% of the simulation period. A two-layer flow is seen only 28% of the time with a weak lower layer flow, whereas this value decreases to 4% at the north end of the canal. In the southward direction(to the marmara Sea), velocities higher than 1.5 m/s are rarely observed along the canal. The average surface salinity difference in the northern marmara Sea due to the construction of the canal is calculated to be smaller than 0.50 ppt. The salinity difference gradually diminishes as water depth increases and after 25 m(from the surface) almost no difference is observed.

关键词： Canal Istanbul marmara Sea salinity distribution hydrodynamic modeling

SYNTHESIS OF SOLUBLE POLY(3,4-DIHYDROXY-o-TOLYLENE):REDOX POLYMER

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Chinese Journal of Polymer Science 2006年第1期24卷 41-46页

作者： sad Moulay Fatima M'zyène Laboratoire de Chimie-Physique Moléculaire et macromoléculaire Faculté des Sciences de l'Ingénieur Département de Chimie Industrielle Université de BlidaRoute de SoumèaB.P.270Blida 09000Algeria. Laboratoire de Chimie-Physique Moléculaire et macromoléculaire Faculté des Sciences de l'Ingénieur Département de Chimie Industrielle Université de BlidaRoute de SoumaB.P.270Blida 09000Algeria.

Conventional chloromethylation, paraformaldehyde/hydrogen chloride in acetic acid medium, was applied to 1,2- dimethoxybenzene. Chloroform-soluble poly（3,4-dimethoxy-o-tolylene） was obtained with an intrinsic viscosity of 0.034 dL g^-1. The polymer was evaluated as a condensation redox polymer precursor formed by a Friedel-Crafts reaction. Cleavage of the methoxy groups present in this polymer resulted in poly（3,4-dihydroxy-o-tolylene） which manifested a great air-oxidation resistance. The redox property of the latter polymer was found to be 1017 mV by potentiometric titration with 0.05 N ceric ammonium nitrate at 25℃. This midpotential was compared to that of catechol, a monomeric analogue, under the same titration conditions.

关键词： Poly(3,4-dimethoxy-o-tolylene) Poly(3,4-dihydroxy-o-tolylene) Redox polymer.

Particle Swarm Optimization Based Support Vector Regression for Blind Image Restoration

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Journal of Computer Science & Technology 2012年第5期27卷 989-995页

作者： Ratnakar Dash Pankaj Kumar sa Banshidhar majhi Computer Science and Engineering Department National Institute of Technology RourkelaRourkela 769008India

This paper presents a swarm intelligence based parameter optimization of the support vector machine （SVM） for blind image restoration. In this work, SVM is used to solve a regression problem. Support vector regression （SVR） has been utilized to obtain a true mapping of images from the observed noisy blurred images. The parameters of SVR are optimized through particle swarm optimization （PSO） technique. The restoration error function has been utilized as the fitness function for PSO. The suggested scheme tries to adapt the SVM parameters depending on the type of blur and noise strength and the experimental results validate its effectiveness. The results show that the parameter optimization of the SVR model gives better performance than conventional SVR model as well as other competent schemes for blind image restoration.

关键词： image restoration support vector regression particle swarm optimization