Nagoya Institute of Technology

Inspired by the success of fluorinated corticosteroids in the 1950s and fluoroquinolones in the 1980s, fluorine-containing pharmaceuticals, which are also known as fluoro-pharmaceuticals, have been attracting attention for more than half of a century. Presently, about 20% of the commercial pharmaceuticals are fluoro-pharmaceuticals. In this mini-review, we analyze the prevalence of fluoro-pharmaceuticals in the market and categorize them into several groups based on the chemotype of the fluoro-functional groups, their therapeutic purpose, and the presence of heterocycles and/or chirality to highlight the structural motifs, patterns, and promising trends in fluorine-based drug design. Our database contains 340 fluoro-pharmaceuticals, from the first fluoro-pharmaceutical, Florinef, to the latest fluoro-pharmaceuticals registered in 2019 and drugs that have been withdrawn. The names and chemical structures of all the 340 fluorinated drugs discussed are provided in the Supporting Information.

Lead-free piezoelectric ceramics (1−x)(Na0.5K0.5)NbO3–xLiNbO3 {[Lix(Na0.5K0.5)1−x]NbO3} (x=0.04–0.20) have been synthesized by an ordinary sintering technique. The materials with perovskite structure is orthorhombic phase at x⩽0.05 and becomes tetragonal phase at x⩾0.07, a phase K3Li2Nb5O15 with tetragonal tungsten bronze structure begins to appear at x=0.08 and becomes dominant with increasing the content of LiNbO3. A morphotropic phase boundary between orthorhombic and tetragonal phases is found in the composition range 0.05<x<0.07. Analogous to Pb(Zr,Ti)O3, the piezoelectric and electromechanical properties are enhanced for compositions near the morphotropic phase boundary. Piezoelectric constant d33 values reach 200–235pC∕N. Electromechanical coefficients of the planar mode and the thickness mode reach 38%–44% and 44%–48%, respectively. The Curie temperatures (TC) of [Lix(Na0.5K0.5)1−x]NbO3 (x=0.04–0.20) are in the range of 452–510°C, at least 100°C higher than that of conventional Pb(Zr,Ti)O3. Our results show that [Lix(Na0.5K0.5)1−x]NbO3 is a good lead-free high-temperature piezoelectric ceramic.

Gallium nitride (GaN) is a compound semiconductor that has tremendous potential to facilitate economic growth in a semiconductor industry that is silicon-based and currently faced with diminishing returns of performance versus cost of investment. At a material level, its high electric field strength and electron mobility have already shown tremendous potential for high frequency communications and photonic applications. Advances in growth on commercially viable large area substrates are now at the point where power conversion applications of GaN are at the cusp of commercialisation. The future for building on the work described here in ways driven by specific challenges emerging from entirely new markets and applications is very exciting. This collection of GaN technology developments is therefore not itself a road map but a valuable collection of global state-of-the-art GaN research that will inform the next phase of the technology as market driven requirements evolve. First generation production devices are igniting large new markets and applications that can only be achieved using the advantages of higher speed, low specific resistivity and low saturation switching transistors. Major investments are being made by industrial companies in a wide variety of markets exploring the use of the technology in new circuit topologies, packaging solutions and system architectures that are required to achieve and optimise the system advantages offered by GaN transistors. It is this momentum that will drive priorities for the next stages of device research gathered here.

Currently, more than 1,200 agrochemicals are listed and many of these are regularly used by farmers to generate the food supply to support the expanding global population. However, resistance to pesticides is an ever more frequently occurring phenomenon, and thus, a continuous supply of novel agrochemicals with high efficiency, selectivity, and low toxicity is required. Moreover, the demand for a more sustainable society, by reducing the risk chemicals pose to human health and by minimizing their environmental footprint, renders the development of novel agrochemicals an ever more challenging undertaking. In the last two decades, fluoro-chemicals have been associated with significant advances in the agrochemical development process. We herein analyze the contribution that organofluorine compounds make to the agrochemical industry. Our database covers 424 fluoro-agrochemicals and is subdivided into several categories including chemotypes, mode of action, heterocycles, and chirality. This in-depth analysis reveals the unique relationship between fluorine and agrochemicals.

ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTMicrobial and Animal Rhodopsins: Structures, Functions, and Molecular MechanismsOliver P. Ernst*†, David T. Lodowski‡, Marcus Elstner§, Peter Hegemann∥, Leonid S. Brown⊥, and Hideki Kandori#View Author Information† Departments of Biochemistry and Molecular Genetics, University of Toronto, 1 King’s College Circle, Medical Sciences Building, Toronto, Ontario M5S 1A8, Canada‡ Center for Proteomics and Bioinformatics, Case Western Reserve University School of Medicine, 10900 Euclid Avenue, Cleveland, Ohio 44106, United States§ Institute for Physical Chemistry, Karlsruhe Institute of Technology, Kaiserstrasse 12, 76131 Karlsruhe, Germany∥ Institute of Biology, Experimental Biophysics, Humboldt-Universität zu Berlin, Invalidenstrasse 42, 10115 Berlin, Germany⊥ Department of Physics and Biophysics Interdepartmental Group, University of Guelph, 50 Stone Road East, Guelph, Ontario N1G 2W1, Canada# Department of Frontier Materials, Nagoya Institute of Technology, Showa-ku, Nagoya 466-8555, Japan*E-mail: [email protected]. Phone: (416) 978-3849. Fax: (416) 978-8548.Cite this: Chem. Rev. 2014, 114, 1, 126–163Publication Date (Web):December 23, 2013Publication History Received14 July 2013Published online23 December 2013Published inissue 8 January 2014https://doi.org/10.1021/cr4003769Copyright © 2013 American Chemical SocietyRIGHTS & PERMISSIONSACS AuthorChoiceArticle Views17523Altmetric-Citations660LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (19 MB) Get e-AlertsSupporting Info (1)»Supporting Information Supporting Information SUBJECTS:Crystal structure,Ions,Isomerization,Peptides and proteins,Receptors Get e-Alerts

ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTSynthetic Methods for Compounds Having CF3–S Units on Carbon by Trifluoromethylation, Trifluoromethylthiolation, Triflylation, and Related ReactionsXiu-Hua Xu, Kohei Matsuzaki, and Norio Shibata*View Author Information Department of Nanopharmaceutical Science and Department of Frontier Materials, Nagoya Institute of Technology, Gokiso, Showa-ku, Nagoya 466-8555, Japan*E-mail: [email protected]Cite this: Chem. Rev. 2015, 115, 2, 731–764Publication Date (Web):August 14, 2014Publication History Received6 April 2014Published online14 August 2014Published inissue 28 January 2015https://pubs.acs.org/doi/10.1021/cr500193bhttps://doi.org/10.1021/cr500193breview-articleACS PublicationsCopyright © 2014 American Chemical SocietyRequest reuse permissionsArticle Views16076Altmetric-Citations931LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose SUBJECTS:Chemical reactions,Reagents,Sulfides,Trifluoromethyl,Trifluoromethylation Get e-Alerts

This paper derives a speech parameter generation algorithm for HMM-based speech synthesis, in which the speech parameter sequence is generated from HMMs whose observation vector consists of a spectral parameter vector and its dynamic feature vectors. In the algorithm, we assume that the state sequence (state and mixture sequence for the multi-mixture case) or a part of the state sequence is unobservable (i.e., hidden or latent). As a result, the algorithm iterates the forward-backward algorithm and the parameter generation algorithm for the case where the state sequence is given. Experimental results show that by using the algorithm, we can reproduce clear formant structure from multi-mixture HMMs as compared with that produced from single-mixture HMMs.

In this paper, we describe a novel spectral conversion method for voice conversion (VC). A Gaussian mixture model (GMM) of the joint probability density of source and target features is employed for performing spectral conversion between speakers. The conventional method converts spectral parameters frame by frame based on the minimum mean square error. Although it is reasonably effective, the deterioration of speech quality is caused by some problems: 1) appropriate spectral movements are not always caused by the frame-based conversion process, and 2) the converted spectra are excessively smoothed by statistical modeling. In order to address those problems, we propose a conversion method based on the maximum-likelihood estimation of a spectral parameter trajectory. Not only static but also dynamic feature statistics are used for realizing the appropriate converted spectrum sequence. Moreover, the oversmoothing effect is alleviated by considering a global variance feature of the converted spectra. Experimental results indicate that the performance of VC can be dramatically improved by the proposed method in view of both speech quality and conversion accuracy for speaker individuality.

An equation for a nonlinear calibration curve of volume fraction vs integrated intensity ratio is presented for monoclinic‐stabilized cubic ZrO 2 systems containing YO 1.5 , CaO, and MgO. A parameter in the equation was evaluated theoretically and is given for a range of cubic solid solution compositions.

The Autonomous Agents and MultiAgent Systems (AAMAS) conference series brings together researchers from around the world to share the latest advances in the field. It provides a highprofile and high-quality forum for research in the theory and practice of autonomous agents and multiagent systems. AAMAS 2002, the first of the series, was held in Bologna, followed by Melbourne (2003), New York (2004), Utrecht (2005), Hakodate (2006), Honolulu (2007), Estoril (2008), Budapest (2009), Toronto (2010), Taipei (2011), and Valencia (2012). You are now about to enter the proceedings of AAMAS 2013, held in Saint Paul, Minnesota, in May 2013. In addition to the general track for the AAMAS 2013 conference, submissions were invited to four special tracks: robotics, virtual agents, innovative applications, and (new this year) a special challenges and visions track. The aims of these special tracks were to give researchers from these areas a strong focus, to provide a forum for discussion and debate within the encompassing structure of AAMAS, and to ensure that the impact of both theoretical contributions and innovative applications were recognized. The tracks were chaired by leaders in the corresponding fields: Daniele Nardi and Monica Nicolescu for the robotics track, Stefan Kopp and Catherine Pelachaud for the virtual agents track, Bo An and John Thangarajah for the innovative applications track, and Jeff Rosenschein for the challenges and visions track. The special track chairs provided critical input to selection of Program Committee (PC) and Senior Program Committee (SPC) members, and to the reviewer allocation and the review process itself. Both full paper and extended abstract submissions were solicited for AAMAS 2013. The papers were selected by means of a thorough review and discussion process which included an opportunity for authors to respond to reviewer comments, a discussion phase between SPC members and (track/PC) chairs, after which the program chairs made the final decisions. In the general track, 13 papers were withdrawn that were accepted as extended abstracts. No other papers were withdrawn after notification. Each full paper was allocated 8 pages in the proceedings, challenges and visions papers were allocated 4 pages, and extended abstracts 2 pages. Oral presentations were allocated 20 minutes in the program. Both full papers and extended abstracts were presented as posters during the conference. Of the submissions, 383 (64%) were indicated as being student papers, which indicates that AAMAS continues to be a nurturing environment for students. Submissions were assigned keywords, each of which was classified under one of 15 top-level topics (e.g., Cooperation). Representation of top-level topics (measured by first keyword) was broad, with top counts in the areas of Economic Paradigms (201 submissions), Agent Cooperation (137), Agent Reasoning (111), Learning and Adaptation (100), and Robotics (94).

Nanofiber structures of some peptides and proteins as biological materials have been studied extensively, but their molecular mechanism of self-assembly and reassembly still remains unclear. We report here the reassembly of an ionic self-complementary peptide RADARADARADARADA (RADA16-I) that forms a well defined nanofiber scaffold. The 16-residue peptide forms stable beta-sheet structure and undergoes molecular self-assembly into nanofibers and eventually a scaffold hydrogel consisting of >99.5% water. In this study, the nanofiber scaffold was sonicated into smaller fragments. Circular dichroism, atomic force microscopy, and rheology were used to follow the kinetics of the reassembly. These sonicated fragments not only quickly reassemble into nanofibers that were indistinguishable from the original material, but their reassembly also correlated with the rheological analyses showing an increase of scaffold rigidity as a function of nanofiber length. The disassembly and reassembly processes were repeated four times and, each time, the reassembly reached the original length. We proposed a plausible sliding diffusion model to interpret the reassembly involving complementary nanofiber cohesive ends. This reassembly process is important for fabrication of new scaffolds for 3D cell culture, tissue repair, and regenerative medicine.

We review studies of the statistics of isotropic turbulence in an incompressible fluid at high Reynolds numbers using direct numerical simulation (DNS) from the viewpoint of fundamental physics. The Reynolds number achieved by the largest DNS, with 4096 3 grid points, is comparable with the largest Reynolds number in laboratory experiments. The high-quality DNS data in the inertial subrange and the dissipative range enable the examination of detailed statistics at small scales, such as the normalized energy-dissipation rate, energy and energy-flux spectra, the intermittency of the velocity gradients and increments, scaling exponents, and flow-field structure. We emphasize basic questions of turbulence, universality in the sense of Kolmogorov's theory, and the dependence of the statistics on the Reynolds number and scale.

New methods for preparation of tailor-made fluorine-containing compounds are in extremely high demand in nearly every sector of chemical industry. The asymmetric construction of quaternary C-F stereogenic centers is the most synthetically challenging and, consequently, the least developed area of research. As a reflection of this apparent methodological deficit, pharmaceutical drugs featuring C-F stereogenic centers constitute less than 1% of all fluorine-containing medicines currently on the market or in clinical development. Here we provide a comprehensive review of current research activity in this area, including such general directions as asymmetric electrophilic fluorination via organocatalytic and transition-metal catalyzed reactions, asymmetric elaboration of fluorine-containing substrates via alkylations, Mannich, Michael, and aldol additions, cross-coupling reactions, and biocatalytic approaches.

Severe plastic deformation (SPD) is effective in producing bulk ultrafine-grained and nanostructured materials with large densities of lattice defects. This field, also known as NanoSPD, experienced a significant progress within the past two decades. Beside classic SPD methods such as high-pressure torsion, equal-channel angular pressing, accumulative roll-bonding, twist extrusion, and multi-directional forging, various continuous techniques were introduced to produce upscaled samples. Moreover, numerous alloys, glasses, semiconductors, ceramics, polymers, and their composites were processed. The SPD methods were used to synthesize new materials or to stabilize metastable phases with advanced mechanical and functional properties. High strength combined with high ductility, low/room-temperature superplasticity, creep resistance, hydrogen storage, photocatalytic hydrogen production, photocatalytic CO2 conversion, superconductivity, thermoelectric performance, radiation resistance, corrosion resistance, and biocompatibility are some highlighted properties of SPD-processed materials. This article reviews recent advances in the NanoSPD field and provides a brief history regarding its progress from the ancient times to modernity. Abbreviations: ARB: Accumulative Roll-Bonding; BCC: Body-Centered Cubic; DAC: Diamond Anvil Cell; EBSD: Electron Backscatter Diffraction; ECAP: Equal-Channel Angular Pressing (Extrusion); FCC: Face-Centered Cubic; FEM: Finite Element Method; FSP: Friction Stir Processing; HCP: Hexagonal Close-Packed; HPT: High-Pressure Torsion; HPTT: High-Pressure Tube Twisting; MDF: Multi-Directional (-Axial) Forging; NanoSPD: Nanomaterials by Severe Plastic Deformation; SDAC: Shear (Rotational) Diamond Anvil Cell; SEM: Scanning Electron Microscopy; SMAT: Surface Mechanical Attrition Treatment; SPD: Severe Plastic Deformation; TE: Twist Extrusion; TEM: Transmission Electron Microscopy; UFG: Ultrafine Grained. © 2022 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.

Rechargeable lithium batteries have rapidly risen to prominence as fundamental devices for green and sustainable energy development. Lithium batteries are now used as power sources for electric vehicles. However, materials innovations are still needed to satisfy the growing demand for increasing energy density of lithium batteries. In the past decade, lithium-excess compounds, Li2MeO3 (Me = Mn(4+), Ru(4+), etc.), have been extensively studied as high-capacity positive electrode materials. Although the origin as the high reversible capacity has been a debatable subject for a long time, recently it has been confirmed that charge compensation is partly achieved by solid-state redox of nonmetal anions (i.e., oxide ions), coupled with solid-state redox of transition metals, which is the basic theory used for classic lithium insertion materials, such as LiMeO2 (Me = Co(3+), Ni(3+), etc.). Herein, as a compound with further excess lithium contents, a cation-ordered rocksalt phase with lithium and pentavalent niobium ions, Li3NbO4, is first examined as the host structure of a new series of high-capacity positive electrode materials for rechargeable lithium batteries. Approximately 300 mAh ⋅ g(-1) of high-reversible capacity at 50 °C is experimentally observed, which partly originates from charge compensation by solid-state redox of oxide ions. It is proposed that such a charge compensation process by oxide ions is effectively stabilized by the presence of electrochemically inactive niobium ions. These results will contribute to the development of a new class of high-capacity electrode materials, potentially with further lithium enrichment (and fewer transition metals) in the close-packed framework structure with oxide ions.

Abstract Further increase in energy density of lithium batteries is needed for zero emission vehicles. However, energy density is restricted by unavoidable theoretical limits for positive electrodes used in commercial applications. One possibility towards energy densities exceeding these limits is to utilize anion (oxide ion) redox, instead of classical transition metal redox. Nevertheless, origin of activation of the oxide ion and its stabilization mechanism are not fully understood. Here we demonstrate that the suppression of formation of superoxide-like species on lithium extraction results in reversible redox for oxide ions, which is stabilized by the presence of relatively less covalent character of Mn 4+ with oxide ions without the sacrifice of electronic conductivity. On the basis of these findings, we report an electrode material, whose metallic constituents consist only of 3 d transition metal elements. The material delivers a reversible capacity of 300 mAh g −1 based on solid-state redox reaction of oxide ions.

Field emitters comprised of aligned carbon nanotubes are shown to be promising as a primary electron source in an x-ray tube working in a nonultrahigh vacuum ambience. At a pressure of 2×10−7 Torr, the nanotube emitters continue to emit electrons for more than 1 h, and yield better resolved x-ray images than do thermionic emitters, independently of whether the sample is biological or nonbiological. The near-uniformity in energy distribution of electrons emitted from carbon nanotubes might be related to the improved image quality in the field-emission mode.

Velocity field statistics in the inertial to dissipation range of three-dimensional homogeneous steady turbulent flow are studied using a high-resolution DNS with up to N=10243 grid points. The range of the Taylor microscale Reynolds number is between 38 and 460. Isotropy at the small scales of motion is well satisfied from half the integral scale (L) down to the Kolmogorov scale (η). The Kolmogorov constant is 1.64±0.04, which is close to experimentally determined values. The third order moment of the longitudinal velocity difference scales as the separation distance r, and its coefficient is close to 4/5. A clear inertial range is observed for moments of the velocity difference up to the tenth order, between 2λ≈100η and L/2≈300η, where λ is the Taylor microscale. The scaling exponents are measured directly from the structure functions; the transverse scaling exponents are smaller than the longitudinal exponents when the order is greater than four. The crossover length of the longitudinal velocity structure function increases with the order and approaches 2λ, while that of the transverse function remains approximately constant at λ. The crossover length and importance of the Taylor microscale are discussed.

Data have been compiled on the cross sections for collisions of electrons and photons with oxygen molecules (O2). For electron collisions, the processes included are: total scattering, elastic scattering, momentum transfer, excitations of rotational, vibrational, and electronic states, dissociation, ionization, and attachment. Ionization and dissociation processes are considered for photon impact. Cross-section data selected are presented graphically. Spectroscopic and other properties of the oxygen molecule are summarized for understanding of the collision processes. The literature was surveyed through August 1987, but some more recent data are included when available to the authors.

Abstract Lithium–sulfur batteries (LSBs) are regarded as a new kind of energy storage device due to their remarkable theoretical energy density. However, some issues, such as the low conductivity and the large volume variation of sulfur, as well as the formation of polysulfides during cycling, are yet to be addressed before LSBs can become an actual reality. Here, presented is a comprehensive overview illustrating the techniques capable of mitigating these undesirable problems together with the electrochemical performances associated to the different proposed solutions. In particular, the analysis is organized by separately addressing cathode, anode, separator, and electrolyte. Furthermore, to better understand the chemistry and failure mechanisms of LSBs, important characterization techniques applied to energy storage systems are reviewed. Similarly, considerations on the theoretical approaches used in the energy storage field are provided, as they can become the key tool for the design of the next generation LSBs. Afterward, the state of the art of LSBs technology is presented from a geopolitical perspective by comparing the results achieved in this field by the main world actors, namely Asia, North America, and Europe. Finally, this review is concluded with the application status of LSBs technology, and its prospects are offered.