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Chemically intuited,large-scale screening of MOFs by machine learning techniques

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npj Computational Materials 2017年第1期3卷 123-129页

作者： Giorgos Borboudakis Taxiarchis Stergiannakos Maria Frysali emmanuel Klontzas Ioannis Tsamardinos George e.Froudakis Department of Computer Science University of CreteVoutes CampusGR-70013 HeraklionCreteGreece Gnosis Data Analysis PC Palaiokapa 6571305 HeraklionGreece Department of Chemistry University of CreteVoutes CampusGR-70013 HeraklionCreteGreece School of Computing and engineering University of HuddersfieldQueensgateHuddersfieldHD13DHUK

A novel computational methodology for large-scale screening of MOFs is applied to gas storage with the use of machine learning *** approach is a promising trade-off between the accuracy of ab initio methods and the speed of classical approaches,strategically combined with chemical *** results demonstrate that the chemical properties of MOFs are indeed predictable(stochastically,not deterministically)using machine learning methods and automated analysis protocols,with the accuracy of predictions increasing with sample *** initial results indicate that this methodology is promising to apply not only to gas storage in MOFs but in many other material science projects.

关键词： apply stochastic learning

Preparation and elements analysis of porous fluorescent glasses

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中国有色金属学会会刊：英文版 2006年第B1期16卷 79-81页

作者：朱冬梅罗发周万城 D.e.DAY C.S.RAY State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Graduate Center for Materials Research University of Missouri-RollaRollaMissouri 65409-1170USA

A large variety of porous fluorescent glasses were prepared and the concentration of different elements in these glasses was analyzed. The start porous glasses were soaked in a solution containing soluble salts and then heated at 650 ℃ for 3 h to decompose the salts in the pores into oxides. Fluorescent agents, such as UO3, eu2O3, were impregnated into the porous glasses to prepare the fluorescent glasses. The results show that soaking is a feasible method to prepare the glass sphere with compositions distinguishable from each other and easy to be located in a complicated background. Six or more components can be impregnated together into one glass sample and the concentration of them can be analyzed accurately. UO3 and eu2O3 can be impregnated into porous glass to make the glass strongly fluorescent. Higher concentration of eu2O3 produces stronger fluorescence while higher concentration of UO3 reduces the fluorescence intensity because of the concentration quenching effect.

关键词：多孔荧光玻璃制备元素分析发光性质可变成分

Giant magnetocaloric effect in Tb_5Ge_(2-x)Si_(2-x)Mn_(2x) compounds

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Chinese Physics B 2010年第5期19卷 542-548页

作者： e.Yzak B.emre Y.elerman A.Ycel Department of engineering Physics Faculty of EngineeringAnkara University06100 BesevlerAnkaraTurkey Faculty of Science and Letters Physics DepartmentMugla UniversityKtekli 48000 MuglaTurkey

The crystal structure, magnetic and magnetocaloric characteristics of the pseduo ternary compounds of TbsGe2-xSi2-xMn2x （0 ≤ 2x ≤ 0.1） were investigated by x-ray powder diffraction and magnetization measurements. The x-ray powder diffraction results show that all compounds preserve the monoclinic phase as the majority phase and all the synthesized compounds were observed to be ferromagnetic from magnetization measurements. Magnetic phase transitions were interpreted in terms of Landau theory. Maximum isothermal magnetic entropy change value （20.84 J-kg-1 -K-1） was found for Tb5Ge1.95Si1.95Mn0.1 at around 123 K in the magnetic field change of 5T.

关键词： magnetic properties magnetocaloric effect isothermal magnetic entropy change

Crystallization Behaviour and Nanostructuring in Alkali Niobiosilicate Glasses

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Journal of Materials Science & Technology 2011年第2期27卷 189-192页

作者： e.Fanelli P.Pernice M.Xiao A.Aronne V.N.Sigaev Dipartimento di Ingegneria dei Materiali e della Produzione Universit'a di Napoli Federico IINapoli 80125Italy Department of Materials Science and engineering Huazhong University of Science and TechnologyWuhan 430074China Key Laboratory of Renewable energy and Gas Hydrate Guangzhou Institute of Energy ConversionChinese Academy of SciencesGuangzhou 510640China Mendeleev University of Chemical Technology Glass and Glass-CeramicsMiusskaya sq.9125190 MoscowRussia

23K2O·27Nb2O5·50SiO 2（KNS）,13K2O·10Na2O·27Nb2O5·50SiO 2（KNaNS） and 15K2O·12Li2O·27Nb2O5·46SiO2（KLiNS） transparent glasses were synthesized by melt-quenching technique,and studied by differential thermal analysis（DTA）,X-ray diffraction（XRD） and high-resolution transmission electron microscopy（HRTeM） to reveal the effect of the devitrification behaviour on transparent *** above the glass transition temperature T g in the KNS glass,an unidentified phase was formed,while in KNaNS and KLiNS,mixed-alkali niobate phases with tungsten bronze structure were obtained by bulk *** treatments at T g performed on the KNS glass resulted in the transparent nanostructure with second order harmonic generation（SHG） *** treatment for 10 h on KNaNS and KLiNS decreased the first DTA exothermic peaks（at least 24C）,indicating the bulk nucleation,which was confirmed by the DTA in comparison with the powdered as-quenched *** and KLiNS showed similar XRD profiles as the K3Li2Nb5O15 crystal with the five most intense peaks at 22.7,29.4,32.3,46.3 and 52.0 *** micrograph showed clear-cut nano-sized circular domains and spherical nanocrystals dispersed into the amorphous matrix.

关键词： Niobiosilicate glasses Crystallization Nanostructuring

Bistability in Coupled Oscillators exhibiting Synchronized Dynamics

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Communications in Theoretical Physics 2010年第5期53卷 815-824页

作者： O.I.Olusola U.e.Vincent A.N.Njah J.A.Olowofela Department of Physics University of Agriculture Department of Physics Lancaster University Institut fur Theoretische Physik Technische Universitt Clausthal Department of Physics Olabisi Onabanjo University

We report some new results associated with the synchronization behavior of two coupled double-well Duffing oscillators （DDOs）. Some sufficient algebraic criteria for global chaos synchronization of the drive and response DDOs via linear state error feedback control are obtained by means of Lyapunov stability theory. The synchronization is achieved through a bistable state in which a periodic attractor co-exists with a chaotic attractor. Using the linear perturbation analysis, the prevalence of attractors in parameter space and the associated bifurcations are examined. Subcritical and supercritical Hopf bifurcations and abundance of Arnold tongues -- a signature of mode locking phenomenon are found.

关键词： chaos synchronization Duffing oscillator bistability Lyapunov stability theory

NeW SINGULAR DIReCTIONS OF MeROMORPHIC FUNCTIONS

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Science in China,Ser.A 1984年第4期 352-366页

作者：杨乐张庆德 Institute of Mathematics Academia Sinica Beijing Chengdu Meteorological College

If f（z） is meromorphic and of order λ（0e plane, then there exists a direc-tion B such that: in any small angular domain which contains B, neither f（z） has finite Borelexceptional value of order λ n... 详细信息

关键词： NeW SINGULAR DIReCTIONS OF MeROMORPHIC FUNCTIONS

Framework for effective Utilization of Distributed Scrum in Software Projects

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Computer Systems Science & engineering 2023年第1期44卷 407-422页

作者： Basit Shahzad Wardah Naeem Awan Fazal-e-Amin Ahsanullah Abro Muhammad Shoaib Sultan Alyahya Department of Software engineering National University of Modern LanguagesIslamabad44000Pakistan Department of Software engineering College of Computer and Information SciencesKing Saud UniversityRiyadh11543Saudi Arabia Department of Computer Science Sukkur IBA UniversitySindh65200Pakistan Department of Information Systems College of Computer and Information SciencesKing Saud UniversityRiyadh11543Saudi Arabia

There is an emerging interest in using agile methodologies in Global Software Development(GSD)to get the mutual benefits of both *** is currently admired by many development teams as an agile most known meth-odology and considered adequate for collocated *** the same time,stake-holders in GSD are dispersed by geographical,temporal,and socio-cultural *** to the controversial nature of Scrum and GSD,many significant challenges arise that might restrict the use of Scrum in *** conducted a Sys-tematic Literature Review(SLR)by following Kitchenham guidelines to identify the challenges that limit the use of Scrum in GSD and to explore the mitigation strategies adopted by practitioners to resolve the *** validate our reviewfindings,we conducted an industrial survey of 305 *** results of our study are consolidated into a research *** framework represents current best practices and recommendations to mitigate the identified distributed scrum challenges and is validated byfive experts of distributed *** of the expert review were found supportive,reflecting that the framework will help the stakeholders deliver sustainable products by effectively mitigating the identified challenges.

关键词： Global software development distributed Scrum sustainable development challenges mitigation strategies

Reed-Muller function optimization techniques with onset table

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Journal of Zhejiang University-Science C(Computers and electronics) 2011年第4期12卷 288-296页

作者： Lun-yao WANG Yin-shui XIA Xie-xiong CHeN A. e. A. ALMAINI Department of Information Science and electronic engineering Zhejiang University Hangzhou 310027 China Faculty of Information Science and engineering Ningbo University Ningbo 315211 China School of engineering Napier University Edinburgh EH10 5DT UK

By mapping a fixed polarity Reed-Muller (RM) expression into an onset table and studying the properties of the onset table,an algorithm is proposed to obtain a compact multi-level single-output mixed-polarity RM function by searching for and extracting the common variables using the onset ***,by employing the multiplexer model,the algorithm is extended to optimize multi-level multi-output mixed-polarity RM *** proposed algorithm is implemented in C language and tested using some MCNC *** results show that the proposed algorithm can obtain a more compact RM form than that under fixed *** with published results,the proposed algorithm makes a significant speed improvement,with a small increase in the number of literals.

关键词： logic optimization Reed-Muller functions Multi-level Mixed polarity Onset table

Suicide transport blockade of motor neuron survival generates a focal graded injury and functional deficit

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Neural Regeneration Research 2021年第7期16卷 1281-1287页

作者： Allison S.Liang Joanna e.Pagano Christopher A.Chrzan Randall D.McKinnon Department of Neurosurgery Rutgers-Robert Wood Johnson Medical SchoolPiscatawayNJUSA Member The Cancer Institute of New JerseyNew BrunswickNJUSA

We describe a pre-clinical spinal cord motor neuron injury model that is minimal invasive, reproducible, focal and easily applied to small *** axonal transport of a pro-apoptotic phosphatidylinosotol 3'-kinase inhibitor, wortmannin, via the sciatic nerve results in loss of ipsilateral lumbar motor neurons proportional to the level of drug *** neuron loss was detected by choline acetyltransferase(ChAT) immunostaining and with a transgenic thy1-eGFP *** short half-life of wortmannin generates minimal wound spread, and wortmannin does not affect axon transport, as determined by co-injection of a pseudorabies virus *** quantitative transcript analysis, we found that ChAT transcripts significantly decreased at 14 days post-delivery of 1 μg wortmannin, relative to sham controls, and remained low after 90 *** effects were observed with 200 ng and 100 ng *** also generated a transient and significant increase in astrocyte Gfap transcripts after 14 days with a return to control levels at 90 *** mice had hind limb spasticity and a forced motor function defect that was quantified using a water exit *** rapidly exit a shallow water tray, and wortmannin treated animals were up to 12-fold slower, a phenotype that persisted for at least 3 *** the focal delivery of wortmannin to motor neurons generates a reproducible and scalable injury that can facilitate quantitative studies on neural regeneration and *** efficacy of sciatic nerve suicide transport can also explain neurotoxin-mediated selective loss of motor neurons in diseases such as amyotrophic lateral *** procedures were performed at Rutgers under established Institutional Animal Care and Use protocols(eIACUC_TR201800022, approved on March 20, 2018).

关键词： amyotrophic lateral sclerosis injury motor function motor neuron PI3'kinase sciatic nerve suicide transport wortmannin