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Automated estimation of materials parameter from X-ray absorption and electron energy-loss spectra with similarity measures

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npj Computational Materials 2019年第1期5卷 815-821页

作者： yuta Suzuki Hideitsu Hino Masato Kotsugi Kanta Ono Department of Materials Science and Technology Tokyo University of ScienceTokyoJapan High Energy Accelerator Research Organization Institute of Materials Structure ScienceTsukubaJapan The Institute of Statistical Mathematics TokyoJapan Center for Materials Research by Information Integration(CMI2) Research and Services Division of Materials Data and Integrated System(MaDIS)National Institute for Materials Science(NIMS)Tsukuba 305-0047Japan

Materials informatics has significantly accelerated the discovery and analysis of materials in the past *** of the key contributors to accelerated materials discovery is the use of on-the-fly data analysis with high-throughput experiments,which has given rise to the need for accelerated and accurate automated estimation of the properties of *** this regard,spectroscopic data are widely used for materials discovery because these data include essential information about *** important requirement for the realisation of the automated estimation of materials parameters is the selection of a similarity measure,or kernel *** required measure should be robust in terms of peak shifting,peak broadening,and ***,the determination of appropriate similarity measures for spectra and the automated estimation of materials parameters from these spectra currently remain *** examined major similarity measures to evaluate the similarity of both X-ray absorption and electron energy-loss *** similarity measures show good correspondence with the materials parameter,that is,the crystal-field parameter,in all *** Pearson's correlation coefficient was the highest for the robustness against noise and peak *** obtained the regression model for the crystal-field parameter 10 Dq from the similarity of the *** regression model enabled the materials parameter,that is,10 Dq,to be automatically estimated from the *** regard to research progress in similarity measures,this methodology would make it possible to extract the materials parameter from a large-scale dataset of experimental data.

关键词： materials similarity parameter

Quantitative determination of erlotinib in human serum using competitive enzyme-linked immunosorbent assay

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Journal of Pharmaceutical Analysis 2018年第2期8卷 119-123页

作者： yuta Yamamoto Tetsuya Saita yutaro Yamamoto Masashi Shin Applied Life Science Department Faculty of Biotechnology and Life Science Sojo University

A selective and sensitive competitive enzyme-linked immunosorbent assay(ELISA) method was developed and validated for the quantification of erlotinib in 50 mL of samples of human serum. Anti-erlotinib serum was obtained by immunizing mice with an antigen conjugated with bovine serum albumin and 3,4-bis(2-methoxyethoxy)benzoic acid using the N-succinimidyl ester method. Enzyme labeling of erlotinib with horseradish peroxidase was similarly performed using 3,4-bis(2-methoxyethoxy)benzoic acid. A simple competitive ELISA for erlotinib was developed using the principle of direct competition between erlotinib and the enzyme marker for anti-erlotinib antibody, which had been immobilized on the plastic surface of a microtiter plate. Serum erlotinib concentrations lower than 40 ng/mL were reproducibly measurable using the ELISA. This ELISA was specific to erlotinib and showed very slight cross-reactivity(6.7%) with a major metabolite, O-desmethyl erlotinib. Using this assay, drug levels were easily measured in the blood of mice after oral administration of erlotinib at a single dose of 30 mg/kg. ELISA should be used as a valuable tool for therapeutic drug monitoring and in pharmacokinetic studies of erlotinib.

关键词： Erlotinib Enzyme-linked immunosorbent assay O-desmethyl erlotinib Tyrosine-kinase inhibitor

High-throughput study of the anomalous Hall effect

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npj Computational Materials 2023年第1期9卷 767-774页

作者： JakubŽelezný yuta Yahagi Carles Gomez-Olivella Yang Zhang Yan Sun Institute of Physics Czech Academy of SciencesCukrovarnická1016200 Praha 6Czech Republic Department of Applied Physics Tohoku UniversitySendaiMiyagiJapan Department of Physics and Astronomy University of Tennessee KnoxvilleKnoxvilleTN 37996USA Min H.Kao Department of Electrical Engineering and Computer Science University of TennesseeKnoxvilleTN 37996USA Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China

Despite its long history,the anomalous Hall continues to attract attention due to its complex origins,its connection to topology,and its use as a probe of magnetic *** this work we investigate the anomalous Hall effect in 2871 ferromagnetic materials using an automatic high-throughput calculation *** analyze general properties of the effect,such as its reliance on spin-orbit coupling strength and *** materials with the largest anomalous Hall effect,we find that symmetry-protected band degeneracies in the non-relativistic electronic structure,such as mirror symmetry-protected nodal lines,are typically responsible for the large ***,we examine the dependence of the anomalous Hall effect on magnetization direction and demonstrate deviations from the commonly assumed expression j^(AHE)~M×E.

关键词： effect symmetry protected

Towards a sustainable technology for production of extra-pure Ti metal:Electrolysis of sulfurized Ti(C,N)in molten CaCl_(2)

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International Journal of Minerals,Metallurgy and Materials 2020年第12期27卷 1635-1643页

作者： Eltefat Ahmadi Ryosuke O.Suzuki Tatsuya Kikuchi Takumi Kaneko yuta Yashima Division of Materials Science and Engineering Faculty of EngineeringHokkaido UniversitySapporo 060-8628Japan Japan Society for the Promotion of Science(JSPS) Tokyo 102-0083Japan

A new concept for producing highly pure Ti metal powder from ilmenite(FeTiO)_(3))is proposed in this *** nitride(TiN)or titanium oxycarbonitride(TiO_(x)C_(y)N_(z))could be synthesized in the first step via the simultaneous carbothermal reduction and nitridation(CTRN)of FeTiO3 to remove oxygen *** separate oxygen completely,high-quality TiS2 samples were then synthesized from TiN and TiC using S2 gas,and the clean sulfides were finally reduced toα-Ti powders with spherical morphology using electrolysis in molten CaCl_(2).Xray diffraction(XRD),scanning electron microscopy(SEM)in conjunction with energy-dispersive X-ray spectroscopy(EDS),and elemental LECO analysis were used to study the phases and microstructures of the sulfides and the electrochemically reduced *** Ti powder showed no carbon contamination and consisted of high-purity foil-like Ti sheets with very low oxygen,carbon,and nitrogen contents of less than 0.15 wt%O,0.02 wt%C,and 0.003 wt%N,*** quality of the Ti powder was much higher than that of the powder obtained using the conventional OS process(proposed by *** and ***)starting directly from the oxides.

关键词： titanium molten salt electrolysis sulfidation titanium oxycarbonitride ilmenite

Epidemiological impact of revoking mask-wearing recommendation on COVID-19 transmission in Tokyo,Japan

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Infectious Disease Modelling 2024年第4期9卷 1289-1300页

作者： Mayu Nagata yuta Okada Hiroshi Nishiura Kyoto University School of Public Health Yoshida-KonoeSakyoKyoto606-8601Japan

Despite the global implementation of COVID-19 mitigation measures,the disease continues to maintain *** mask wearing became one of the key measures for preventing the transmission of COVID-19 early in the pandemic period,many countries have relaxed the mandatory or recommended wearing of *** objective of the present study was to estimate the epidemiological impact of removing the mask-wearing recommendation in *** developed a model to assess the consequences of declining mask-wearing coverage after the government revoked its recommendation in February *** declining mask-wearing coverage was estimated using serial cross-sectional data,and a mathematical model was devised to determine the age-specific incidence of COVID-19 using the observed case count in Tokyo from week of October 3,2022 to October 30,*** explored model-based counterfactual scenarios to measure hypothetical situations in which the mask-wearing coverage decreases or increases relative to the observed *** results show that mask-wearing coverage declined from 97%to 69%by the week of October 30,2023,and that if the mask-wearing recommendation had continued,427 lives could have been saved in *** the mask-wearing coverage had declined to 25%of the observed level,the model suggests there might have been 1587 additional ***,revoking the mask-wearing recommendation had a substantial epidemiological *** future pandemics,our proposed approach could provide a realtime quantification of the effects of relaxing countermeasures.

关键词： COVID-19 Mask wearing recommendation Health policy Counterfactual Mathematical model

Synthesis and TEM structural characterization of C60-flattened carbon nanotube nanopeapods

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Nano Research 2014年第12期7卷 1843-1848页

作者： Qing Wang Ryo Kitaura yuta Yamamoto Shigeo Arai Hisanori Shinohara Department of Chemistry & Institute for Advanced Research Nagoya University Nagoya 464-8602 Japan High Voltage Electron Microscope Laboratory Ecotopia Science Institute Nagoya University Nagoya 464-8602 Japan

A fully flattened carbon nanotube （FNT）, a graphene nanoribbon （GNR） analogue, provides a hollow space at edges for endohedral doping. Due to the unique shape of the hollow space of FNTs, novel types of low-dimensional arrangements of atoms and molecules can be obtained through endohedral doping into FNTs, which provides a new type of nanopeapods. FNT-based nanopeapods have been synthesized through endohedral doping of C60, and their structural characterization with transmission electron microscopy （TEM） performed. The doping of C60 into the inner hollow space of FNTs has been carried out via the gas-phase filling method, where open-ended FNTs are sealed in a glass ampoule and heated at 723-773 K for two days. TEM observations show that most of the encapsulated C60 molecules align as single molecular chains along the edges of FNTs and that some of the C60 forms two-dimensional close-packed structures inside FNTs.

关键词： carbon nanotubes nanopeapods endohedral doping electron microscopy

An optimal management strategy for stochastic population dynamics of released Plecoglossus altivelis in rivers

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International Journal of Modeling, Simulation, and Scientific Computing 2017年第2期8卷 204-219页

作者： yuta Yaegashi Hidekazu Yoshioka Koichi Unami Masayuki Fujihara Graduate School of Agriculture Kyoto University Kitashirakawa Oiwake-choSakyo-kuKyoto City Kyoto Prefecture606-8502Japan Faculty of Life and Environmental Science Shimane University Nishikawatsu-cho 1060 Matsue CityShimane Prefecture690-8504Japan Graduate School of Agriculture Kyoto UniversityKitashirakawa Oiwake-cho Sakyo-kuKyoto CityKyoto Prefecture606-8502Japan

Excessive predation pressure from the waterfowl Phalacrocorax carbo(Great Cormorant)on Plecoglossus altivelis(Ayu)has recently been a severe problem of river environment in *** fishery cooperatives are currently suffering from economic difficulties due to decrease of the fish catch of *** fishery cooperatives and municipalities have been enthusiastically trying to develop countermeasures that can effectively reduce the predation pressure;however,their effectiveness and efficiency have not been systematically quantified *** aim can be achieved with the help of an appropriate mathematical *** this paper,based on a pure death process,a practical stochastic control model for population dynamics of released *** in river environment under predation pressure from ***,harvesting by human,and environmental fluctuations is *** an optimal management strategy ultimately reduces to solving a 2D Hamilton–Jacobi–Bellman equation,which is performed with a finite element *** application to a Japanese river environment successfully computes the optimal management strategy that is consistent with the *** sensitivity analysis of the presented mathematical model is also performed for comprehension of dependence of the optimal strategy on the model parameters.

关键词： Optimal fishery resources management inland fishery resources waterfowl Hamilton-Jacobi-Bellman equation finite element approximation.

CFD Simulation of Pulsation Noise in a Small Centrifugal Compressor with Volute and Resonance Tube

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Journal of Thermal Science 2015年第1期24卷 24-29页

作者： Daich Wakaki yuta Sakuka Yuzo Inokuchi Kosuke Ueda Nobuhiko Yamasaki Akihiro Yamagata Kyushu University IHI Corporation

The rotational frequency tone noise emitted from the automobile turbocharger is called the pulsation noise. The cause of the pulsation noise is not fully understood, but is considered to be due to some manufacturing errors, which is called the mistuning. The effects of the mistuning of the impeller blade on the noise field inside the flow passage of the compressor are numerically investigated. Here, the flow passage includes the volute and duct located downstream of the compressor impeller. Our numerical approach is found to successfully capture the wavelength of the pulsation noise at given rotational speeds by the comparison with the experiments. One of the significant findings is that the noise field of the pulsation noise in the duct is highly one-dimensional although the flow fields are highly three-dimensional.

关键词： Pulsation Tone Noise CFD URANS Centrifugal Compressor Turbocharger Volute

Prediction of Acoustic Absorption Performance of a Perforated Plate with Air Jets

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Journal of Thermal Science 2017年第4期26卷 378-384页

作者： Hiromitsu Hamakawa Masanori Miyazaki yuta Asai Eru Kurihara Eiichi Nishida Hidechito Hayashi Department of Mechanical Engineering Oita University700 DannoharuOita 870-1192Japan Graduate Student Oita University700 DannoharuOita 870-1192Japan Department of Mechanical Systems Engineering Shonan Institute of Technology1-1-25 Tsujido-NishikaiganFuji-sawaKanagawa 251-8511Japan Department of Mechanical Engineering Nagasaki University1-14 Bunkyo machiNagasaki852-8521Japan

The present study focuses on the prediction of acoustic absorption performance of a perforated plate with air jets by theoretical calculations. In addition, we experimentally measured the flow rate, internal pressure, acoustic pressure, and transfer function using an acoustic impedance tube. The normal incidence absorption coefficient was calculated from the measured transfer function using transfer function methods. We investigated the influences of background air space, flow velocity, thickness, aperture rate, and aperture diameter of a perforated plate on the acoustic absorption characteristics. The frequency characteristics of the acoustic absorption coefficient showed a maximum value at a local frequency. As the background air space increased, the peak frequency of acoustic absorption characteristics decreased. As the flow velocity passing through the apertures increased, the peak level of the acoustic absorption coefficient also increased. The theoretical results agreed well with the experimental ones qualitatively.

关键词： acoustic absorption perforated plate theoretical prediction acoustic impedance tube air jets