Welcome to Web site of 3D Active-Site Science
Information2019/11/20 SPECIAL TOPICS : Japanese Journal of Applied PhysicsSpecial issue of JJAP related to 3D active-site science was published.https://iopscience.iop.org/journal/1347-4065/page/Frontier_of_active_site_science2019/3/28 News Letter No.9(Japanese version) has been published. 2018/04/23 SPECIAL TOPICS : Journal of the Physical Society of Japan
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Prof. Ohoyama (Ibaraki Univ) had a lecture about neutron holography to 38 students of Chuo Senior High School in Omitama, Ibaraki. |


Title: Multiple-wavelength neutron holography with pulsed neutrons
Authors: Kouichi Hayashi, Kenji Ohoyama, Naohisa Happo, Tomohiro Matsushita, Shinya Hosokawa, Masahide Harada, Yasuhiro Inamura, Hiroaki Nitani, Toetsu Shishido, Kunio Yubuta
HP: http://advances.sciencemag.org/content/3/8/e1700294
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At the Himeji Science Museum's "Science stall village" event, a public experiment "Let's see the shape of voice" was conducted. It is an experiment that shows a beautiful interference pattern of waves in the resonance state when placing powder on the board and applying vibration. We held for 2 days at 9: 30-16: 00. There were about 500 people in attendance. |
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TItle: Correlation Between High Gas Sensitivity and Dopant Structure in W-doped ZnO Authors:Shun Fukami, Munetaka Taguchi, Yutaka Adachi, Isao Sakaguchi, Ken Watanabe, Toyohiko Kinoshita, Takayuki Muro, Tomohiro Matsushita, Fumihiko Matsui, Hiroshi Daimon and Taku T. Suzuki Journal:PHYS. REV. APPLIED 7, 064029 (2017) pp1-6 HP:https://doi.org/10.1103/PhysRevApplied.7.064029 (abstract) Zinc oxide is a representative material which widely used as solid-state gas sensors. However, the local atomic structure around dopant site and these segregation mechanism is not fully understood. The authors find clear evidence for substitution of segregated W atoms into Zn sites in the subsurface layer by photoelectron diffraction techniques, which drastically improves the sensing response. This surface’s structure-function relationship could tell us about how best to prepare these films for this important gas sensing application. |
The co-immobilized tertiary amine significantly accelerated hydrosilylation of olefins catalyzed by the Rh complex.
Title: SiO2-Supported Rh Catalyst for Efficient Hydrosilylation of Olefins Improved by Simultaneously Immobilized Tertiary Amines
Author: Ken Motokura, Kyogo Maeda, Wang-Jae Chun
HP: http://pubs.acs.org/doi/abs/10.1021/acscatal.7b01523
Press release:http://www.titech.ac.jp/english/news/2017/038722.html
Direct formation of amines from amides through hydrogenation is desirable because amines are important chemical targets found in pharmaceuticals and polymers. However, harsh conditions are required for this conversion. The development of catalysts that allow the amide hydrogenation reaction to be performed under mild conditions is a goal of numerous chemists because it is important for sustainable pharmaceutical production.
Our project members, Takato Mitsudome and Jun Yamasaki in Osaka University demonstrate a catalyst that effectively converts amides to amines at low temperature under low hydrogen pressure.
The article titled “Mild Hydrogenation of Amides to Amines over Platinum–Vanadium Bimetallic Catalyst” was recently published in Angewandte Chemie International Edition (DOI: 10.1002/anie.201704199)
Article:
“Mild
Hydrogenation of Amides to Amines over Platinum-Vanadium
Bimetallic Catalyst”
Journal: Angewandte Chemie
International Edition
DOI:
10.1002/anie.201704199
Authors:
Mitsudome T, Miyagawa K, Maeno
Z, Mizugaki T, Jitsukawa K, Yamasaki J, Kitagawa Y, Kaneda K.
2017/6/10 "Spring School" sponsored by 3D Active-Site was held at Tokyo Metropolitan University.
"3rd Spring School" was held at Akihabara Campus of Tokyo Metropolitan University. There were 43 attendees including the lecturers.
The program was as follows,
*1st day : Lectures by Prof. Fukumura (Tohoku Univ.), Prof. Kasahara(Kyoto Univ.), Prof. Nomura(Tokyo Metropolitan Univ), Prof,Sato(Jichi Medical Univ.),Prof Tsutsui(Tokyo Institute of Technology),Prof Hayashi(Nagoya Institute of Technology),Prof Wakabayashi(Osaka Univ)
* 2nd day : Lecture by Prof Yamazaki(Hokkaido Univ,.),Tutorials by Prof Matsushita(JASRI),Prof Tajiri(JASRI),and Poster Presentations
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Place: AOSSA, Fukui, Japan

Title:First-principles investigation of local structure deformation induced by x-ray irradiation in κ−(BEDT−TTF)2Cu[N(CN)2]Br
Authors:Lijing Kang, Kazuto Akagi, Kouichi Hayashi, and Takahiko Sasaki
The study on the local atomic arrangement in beta titanium alloys by the research group consisting of Associate Prof. Yamamoto (Open Type Research Member),
Prof. Hayashi, Prof. Hosokawa (A05 Planned Research Members) and Associate Prof. Happo (A12 Planned Research Member) is published in ACTA MATERIALIA. The study is also introduced in newspapers, CHUGOKU SHIMBUN newspaper on April 29 and NIKKEI SANGYO SHIMBUN newspaper on May 15. The local atomic arrangement near a rare metal atom, Nb, in a beta titanium binary alloy was examined by using X-ray fluorescence holography.
Title:Local atomic structure near an Nb atom in aged β-Ti alloys
Authors:Tokujiro Yamamoto, Kouichi Hayashi, Naohisa Happo, Shinya Hosokawa, Hiroo Tajiri
HP:https://doi.org/10.1016/j.actamat.2017.03.048
Press release;http://www.utsunomiya-u.ac.jp/docs/UU_press_20170428.pdf
16 members of Open type Researches discussed with the members of this projects about the research plans.
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2017/4/26 News Letter No.7 (Japanese version) has been published.
2017/4/21 A member had a lecture to 26 high school students about holography method.
Date: 2017/4/21 Place: Ibaraki Univ. Hitachi Campus High School: Iwaki high school (Fukushima Prefecture) |
2017/4/19 A paper of a member of this project was published in Nano Letters
The transition temperature of an atomic-layer superconductor,
In/Si(111)-(√7x√3), is reported to be controllable precisely by using
magnetic organic molecules. The key of this mechanism is the competition
between electron charge and spin in organic molecules, and the
direction of the electron orbitals of spins that can be regarded as a
hidden degrees of freedom in molecules. TItle: Controlled Modification of Superconductivity in Epitaxial Atomic Layer−Organic Molecule Heterostructures Authors:Shunsuke Yoshizawa, Emi Minamitani, Saranyan Vijayaraghavan, Puneet Mishra, Yasumasa Takagi, Toshihiko Yokoyama, Hiroaki Oba, Jun Nitta, Kazuyuki Sakamoto, Satoshi Watanabe, Tomonobu Nakayama, and Takashi Uchihashi Journal : Nano Lett., 2017, 17 (4), pp 2287–2293 HP:http://pubs.acs.org/doi/abs/10.1021/acs.nanolett.6b05010 |
2017/4/3 16 Proposals have been accepted as Open-type Researches in 2017-19
URL of the List : http://www.en.3d-activesite.jp/06-open-type-research-2017 |
2017/3/29 A paper of our members was published in ACS Nano.
2017/3/19 A paper of a member of this project won a paper award of Physical Society of Japan 2017
TItle: Charge Ordering in α-(BEDT-TTF)2I3 by Synchrotron X-ray Diffraction Authors:Toru Kakiuchi, Yusuke Wakabayashi, Hiroshi Sawa, Toshihiro Takahashi, and Toshikazu Nakamura Journal:J. Phys. Soc. Jpn. 76, 113702 (2007) |
2017/3/18 Two Members of this project gave invited talks in 72th Annual Meeting of
Physical Society of Japan
Prof. Matsui and Prof Hayashi gave talks in 72th annual meeting of Physical Society of Japan at Osaka as invited speakers. Date :2017/3/18 Venue:Osaka Univ. |
2017/3/15 A paper of our members was published in Chemistry A European Journal
Journal: Chemistry A European Journal
Title: “Green, Multi-Gram One-Step Synthesis of Core–Shell Nanocomposites in Water and Their Catalytic Application to Chemoselective Hydrogenations” Authors: T. Urayama, T. Mitsudome, Z. Maeno, T. Mizugaki, K. Jitsukawa, and K. Kaneda URL : http://onlinelibrary.wiley.com/doi/10.1002/chem.201604763/abstract |
2017/3/14 A student of this project won a poster award of Quantum Beam Science Festa at Tsukuba
Mr. Anada of Osaka Univ. have won a poster award of Quantum Beam Science Festa 2016 held at Tsukuba.
Meeting :Quantum Beam Science Festa 2016 Date:2017/3/14-15 Venue :Epochal Tsukuba http://qbs-festa.kek.jp/2016/index.html |
One of the target of “3D-active site project” is to promote international collaborations. We consider that MAX IV, most brilliant synchrotron light source, in Sweden can be a candidate of the oversea basement of our project. For future collaboration between European scientists and Japanese members, we plan to organize the joint workshop in October.
On March 13-15, the users meeting of MAX IV was held. Some members of our project attended to the meeting in order to obtain the detailed information and status of MAX IV. The emittance smaller than 1nm・rad is designed, and the facility was opened from June in 2016. Some user’s activities seem to be started. There are two storage rings, with acceleration energy of 1.5 and 3GeV. About 300 participants attended and the satellite workshops for industrial use etc were held.
The commissioning of storage rings seems to be well. In the 3GeV ring, storage current up to 200mA was achieved. 24 hours topping up injection is also successful at the storage current of 160mA. The emittance of 340pm・rad was also achieved when the storage current is a few mA. 5 insertion devises has been installed. Single bunch operation of 2.8mA (maximum 8.5mA) was succeeded. For 1.5GeV ring, 135mA topping up operation is possible (maximum 150mA).
Two beamlines (nanoMAX and BioMAX) which are hard-x-ray beamlines has started their first user’s beam time. Next proposal will soon be accepted. In the soft-x-ray region, ambient pressure photoemission and RIX beamlines are now in under commissioning.
In MAX IV, ~3000 users/ year will visit and ~500 publication is expected. Further ~100 PhD papers will be produced. In the initial stage, the budget for 14 beamlines is approved. Plans of up to 22 beamlines are discussed.
The guesthouse with 21rooms will be available in September 2017.
The neutron beam facility so called ESS is under construction nearby MAX IV. ESS will start their beamtime in 2023 and the construction will be completed in 2025.
After the users meeting, some members of “3D active-site” project (Daimon, Hayashi, Matsui and Kinoshita) visited MAX IV. Members obtained detailed information of some related beamlines at MAX IV and presented status and activities of the project. Especially, the proposal to NanoMAX beamline was discussed. Further, the detailed discussion of the joint workshop held in October was discussed.

2017/3/4-5 5th Report Meeting of Recent Results was held at Atami
Date: 2017/3/4 - 3/5 Venue:Izuyama Kenshu Center (http://www.uniho.co.jp/hoyojyo/atami.html ) Details ![]() |
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Journal: Organometallics Title : Synthesis of (Adamantylimido)vanadium(V) Dimethyl Complex Containing (2-Anilidomethyl)pyridine Ligand and Selected Reactions: Exploring the Oxidation State of the Catalytically Active Species in Ethylene Dimerization Authors: K. Nomura, T. Mitsudome, A. Igarashi, G. Nagai, K. Tsutsumi, T. Ina, T. Omiya, H. Takaya, and S. Yamazoe URL : http://pubs.acs.org/doi/abs/10.1021/acs.organomet.6b00727 |
2017/1/11-15 Symposium on Surface and Nano Science 2017(SSNS'17) was held at Furano
2016/12/20-21 Local Functional Properties Emerging at Active Sites on Atomic Layers was held at ISSP.
Date :2016/12/20(Tue)-2016/12/21
Time : 1:00 PM - 3:30 PM
Place : Lecture Room (A632), 6th Floor, ISSP
Committee Chair : Hiroshi Daimon (NAIST)
Details Page : http://osada.issp.u-tokyo.ac.jp/SATL3D/home.html
Date :2016/12/20(Tue)-2016/12/21 Time : 1:00 PM - 3:30 PM Place : Lecture Room (A632), 6th Floor, ISSP Committee Chair : Hiroshi Daimon (NAIST) Details Page : http://osada.issp.u-tokyo.ac.jp/SATL3D/home.html |
Date:2016/11/25-27
Venue:Tsukuba International Congress Center Program details: http://www.aeplan.co.jp/bsj2016/en/program.html
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Journal: Chemistry A European Journal
Title: “Green, Multi-Gram One-Step Synthesis of Core–Shell Nanocomposites in Water and Their Catalytic Application to Chemoselective Hydrogenations” Authors: T. Urayama, T. Mitsudome, Z. Maeno, T. Mizugaki, K. Jitsukawa, and K. Kaneda URL: http://onlinelibrary.wiley.com/doi/10.1002/chem.201604763/abstract |
2016/11/14 A student of this project won a poster award in an international conference in Taiwan
Name: Chaimongkolkunasin Sapanna
Conference:International Symposium on Catalysis and Fine Chemicals 2016 (C&FC2016) Date:2016年11月11-14日 Venue:Howard Civil Service International House, Taipei, Taiwan Title: Synthesis and Reaction Chemistry of (Imido)Vanadium(V)-Alkylidene Complexes: Highly-Active Olefin Metathesis Catalysts URL: http://www.cfc2016.org/index.php |
2016/11/10 A student of this project won a poster award in an international conference in Taiwan
Name:Tomoyuki Baba(University of Tokyo)
Conference:The 31st International Congress on High-Speed Imaging and Photonics(31st ICHSIP) Date:2016/11/7-10 Venue:Hotel Hankyu Expo Park, (Osaka, Japan) Title: X-ray imaging of single protein's motion with Ultra-high speed and accuracy HP: http://www.ichsip-31.org/index.html ![]() |
2016/11/7 Members of this project gave invited talks at Taiwan.
Conference:10th International Vanadium Symposium: Chemistry, Biological Chemistry, & Toxicology (V10) Date:2016/11/6-9 Venue:Howard Civil Service International House, Taipei, Taiwan Title: (Imido)vanadium Complexes Containing Anionic Ancillary Donor Ligands as Efficient Catalysts for Olefin Polymerization/Dimerization Speaker : K. Nomura, Tokyo Metropolitan University HP: http://www.chem.nthu.edu.tw/files/13-1078-98859.php?Lang=zh-tw |
2016/11/5-6 We planned Science Agora and joined.
サイエンスアゴラ 80 visitors came to our booth and enjoyed piling up atomic structure model. |
2016/9/17 A Project member made an invited talk at Niigata.
Conference: The 77th meeting of the Japan Society of Applied Physics
Venue:Toki Messe ,Niigata city, Japan
Title: Three-dimensional atomic images on multi-component mixtures using synchrotron radiation
Speaker : Shinya Hosokawa(Kumamoto University)
2016/9/14 A Project member made an invited talk at Hiroshima.
Date:2016/9/14Conference:The Physical Society of Japan autumn meeting 2016.
Venue:Kanazawa University, Japan
Title: Computational study of electronic structures of the active site in metalloproteins
Speaker : Yu Takano(Hiroshima city University)
2016/8/29 Our member's paper was published in J. Am. Chem. Soc.
“Ring-Opening Metathesis Polymerization of Cyclic Olefins by (Arylimido)vanadium(V)-Alkylidenes: Highly Active, Thermally Robust Cis Specific Polymerization”
X. Hou and K. Nomura
Successful demonstration of highly active, thermally robust cis specific olefin metathesis vanadium complex catalysts
“Ring-Opening Metathesis Polymerization of Cyclic Olefins by (Arylimido)vanadium(V)-Alkylidenes: Highly Active, Thermally Robust Cis Specific Polymerization”
X. Hou and K. Nomura Successful demonstration of highly active, thermally robust cis specific olefin metathesis vanadium complex catalysts
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2016/8/16 Our member, Ken Motokura, won the Challenging Research Award 2016, Tokyo Institute of Technology
Research Project : Multi-Active Site Surface for Novel Molecular Transformation
Research Project : Multi-Active Site Surface for Novel Molecular Transformation
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2016/08/01 Our member, Takato Mitsudome, was promoted from Assistant Professor to Associte Professor of Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University.
2016/7/26 Our member's paper was published in Journal of Computational Chemistry and its figure was selected as Front Cover.
Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile
Yusuke Kanematsu, Masanori Tachikawa, and Yu Takano
Journal of Computational Chemistry 37, 2140-2145 (2016).
http://onlinelibrary.wiley.com/doi/10.1002/jcc.24438/abstract
The short hydrogen bond between tyrosine Yz and D1-His190 of photosystem II (PSII) is involved in the oxidation of water at the Mn cluster. We investigated the short hydrogen bond, using multicomponent quantum mechanics, where the quantum fluctuation of a hydrogen nucleus was incorporated into electronic structure calculation. Our computation demonstrated that the deuteration for hydrogen in the short hydrogen bond of PSII led to the reduction of the O…N distance. It indicated an inverse Ubbelohde effect typically recognized in strong and symmetric hydrogen-bonding clusters such as FHF– and H3O2–.
Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile
Yusuke Kanematsu, Masanori Tachikawa, and Yu Takano
Journal of Computational Chemistry 37, 2140-2145 (2016). http://onlinelibrary.wiley.com/doi/10.1002/jcc.24438/abstract The short hydrogen bond between tyrosine Yz and D1-His190 of photosystem II (PSII) is involved in the oxidation of water at the Mn cluster. We investigated the short hydrogen bond, using multicomponent quantum mechanics, where the quantum fluctuation of a hydrogen nucleus was incorporated into electronic structure calculation. Our computation demonstrated that the deuteration for hydrogen in the short hydrogen bond of PSII led to the reduction of the O…N distance. It indicated an inverse Ubbelohde effect typically recognized in strong and symmetric hydrogen-bonding clusters such as FHF– and H3O2–.
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2016/7/16 Our member's paper was published in PHYSICAL REVIEW LETTERS
Nonvortical Rashba Spin Structure on a Surface with C1h Symmetry
Emilia Annese,Takuya Kuzumaki,Beate Müller,Yuta Yamamoto,Hiroto Nakano,Haruki Kato,Atsushi Araki,Minoru Ohtaka,Takashi Aoki,Hirotaka Ishikawa,Takashi Hayashida,Jacek R. Osiecki,Koji Miyamoto,Yasuo Takeichi,Ayumi Harasawa,Koichiro Yaji,Tetsuroh Shirasawa,Koh-ichi Nittoh,Wooil Yang,Kazushi Miki,Tatsuki Oda,Han Woong Yeom, and Kazuyuki Sakamoto
The Rashba-Bychkov (RB) effect generates spin-polarized electronic states even in non-magnetic materials, and shows a great potential towards practical application of spintronics. This paper reports the observation of a peculiar RB band, which was not expected so far, originating from the C1h symmetry of the surface.
Nonvortical Rashba Spin Structure on a Surface with C1h Symmetry
Emilia Annese,Takuya Kuzumaki,Beate Müller,Yuta Yamamoto,Hiroto Nakano,Haruki Kato,Atsushi Araki,Minoru Ohtaka,Takashi Aoki,Hirotaka Ishikawa,Takashi Hayashida,Jacek R. Osiecki,Koji Miyamoto,Yasuo Takeichi,Ayumi Harasawa,Koichiro Yaji,Tetsuroh Shirasawa,Koh-ichi Nittoh,Wooil Yang,Kazushi Miki,Tatsuki Oda,Han Woong Yeom, and Kazuyuki Sakamoto
The Rashba-Bychkov (RB) effect generates spin-polarized electronic states even in non-magnetic materials, and shows a great potential towards practical application of spintronics. This paper reports the observation of a peculiar RB band, which was not expected so far, originating from the C1h symmetry of the surface.
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2016/7/06 Our member's paper was published in Japanese Journal of Applied Physics
Interfacial atomic site characterization by photoelectron diffraction for 4H-AlN/4H-SiC(11-20) heterojunction
Naoyuki Maejima, Masahiro Horita, Hirosuke Matsui, Tomohiro Matsushita, Hiroshi Daimon and Fumihiko Matsui
The interfacial atomic structures of AlN thin films on a nonpolar 4H-SiC(11-20) substrate were studied by photoelectron diffraction and spectroscopy. The density of intermixing atomic sites at the interface were reduced by improving the growth conditions by referring to intermixing component information. We revealed the atomic and electronic structures of the 4H-AlN/4H-SiC(11-20) interface on which the channels of trench-structure metal-oxide-semiconductor field-effect transistors are formed.
Interfacial atomic site characterization by photoelectron diffraction for 4H-AlN/4H-SiC(11-20) heterojunction
Naoyuki Maejima, Masahiro Horita, Hirosuke Matsui, Tomohiro Matsushita, Hiroshi Daimon and Fumihiko Matsui
The interfacial atomic structures of AlN thin films on a nonpolar 4H-SiC(11-20) substrate were studied by photoelectron diffraction and spectroscopy. The density of intermixing atomic sites at the interface were reduced by improving the growth conditions by referring to intermixing component information. We revealed the atomic and electronic structures of the 4H-AlN/4H-SiC(11-20) interface on which the channels of trench-structure metal-oxide-semiconductor field-effect transistors are formed. |
2016/7/1 Our members' paper was published in Review of Scientific Instrumentations(6/15) and
this article is selected as editor's picks!
Development of an X-ray fluorescence holographic measurement system for protein crystals
Ayana Sato-Tomita, Naoya Shibayama, Naohisa Happo, Koji Kimura, Takahiro Okabe, Tomohiro Matsuishita, Sam-Yong Park, Yuji Sasaki, and Kouichi Hayashi
Review of Scientific Instrumentations
Rev. Sci. Instrum. 87, 063707 (2016); http://dx.doi.org/10.1063/1.4953453
RSI editor's picks. This article has been made free to download for a limited time.
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Development of an X-ray fluorescence holographic measurement system for protein crystals
Ayana Sato-Tomita, Naoya Shibayama, Naohisa Happo, Koji Kimura, Takahiro Okabe, Tomohiro Matsuishita, Sam-Yong Park, Yuji Sasaki, and Kouichi Hayashi
Review of Scientific Instrumentations Rev. Sci. Instrum. 87, 063707 (2016); http://dx.doi.org/10.1063/1.4953453 RSI editor's picks. This article has been made free to download for a limited time.
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2016/7/1 VUVX 2016 satellite workshop "Local 3D atomic and electronic structure imaging"
Date: 1. July, 2016
Venue: University of Zurich, Irchel campus, Switzerland.
The detailed information is available on the web site below.
The invited speakers
Prof. H. Daimon
Introduction to 3D Active Science
Prof. C.S. Fadley
Keynote Lecture: XPD and X-ray Standing Wave
Dr. M. Muntwiler
XPD Dedicated Beamline at SLS
Prof. D.P. Woodruff
Keynote Lecture: XPD and X-ray Standing Wave
Prof. F. Matsui
XPD & PEH at SPring-8
Lunch & Poster
Prof. G. Faigel
Lecture: XFH
Prof. K. Hayashi
XFH
Prof. L. Yashina
Topological Insulators by XPD
Prof. M. Chergui
Time-resolved EXAFS
Prof. Y.C. Sasaki
Bio-molecule XFH
Dr. R. Weterstrom
Single Molecular Magnet
Prof. A. Schoell
Orbital Tomography
Dr. A. Shavorskiy
Ambient Pressure PES
VUVX2016
Date: 3.-8 July 2016,
Venue: ETH Zurich, Switzerland.
Please visit the website for more information.
Date: 1. July, 2016
Venue: University of Zurich, Irchel campus, Switzerland.The detailed information is available on the web site below.
The invited speakers
Prof. H. Daimon Introduction to 3D Active Science Prof. C.S. Fadley Keynote Lecture: XPD and X-ray Standing Wave Dr. M. Muntwiler XPD Dedicated Beamline at SLS Prof. D.P. Woodruff Keynote Lecture: XPD and X-ray Standing Wave Prof. F. Matsui XPD & PEH at SPring-8 Lunch & Poster Prof. G. Faigel Lecture: XFH Prof. K. Hayashi XFH Prof. L. Yashina Topological Insulators by XPD Prof. M. Chergui Time-resolved EXAFS Prof. Y.C. Sasaki Bio-molecule XFH Dr. R. Weterstrom Single Molecular Magnet Prof. A. Schoell Orbital Tomography Dr. A. Shavorskiy Ambient Pressure PES
VUVX2016Date: 3.-8 July 2016,Venue: ETH Zurich, Switzerland.Please visit the website for more information.
2016/6/15 Our members' paper was published in Phys. Rev. B
Chemical and orbital fluctuations in Ba3CuSb2O9
Yusuke Wakabayashi, Daisuke Nakajima, Yuki Ishiguro, Kenta Kimura, Tsuyoshi Kimura, Satoshi Tsutsui, Alfred Q. R. Baron, Kouichi Hayashi, Naohisa Happo, Shinya Hosokawa, Kenji Ohwada, and Satoru Nakatsuji, Phys. Rev. B 93, 245117(2016).
Chemical and orbital fluctuations in Ba3CuSb2O9Yusuke Wakabayashi, Daisuke Nakajima, Yuki Ishiguro, Kenta Kimura, Tsuyoshi Kimura, Satoshi Tsutsui, Alfred Q. R. Baron, Kouichi Hayashi, Naohisa Happo, Shinya Hosokawa, Kenji Ohwada, and Satoru Nakatsuji, Phys. Rev. B 93, 245117(2016).
2016/6/6 Our members' paper was issued from Organometallics and selected as Most Read Article(The fourth rank ) in May.
Synthesis of (Imido)Vanadium(V) Dichloride Complexes Containing Anionic N-Heterocyclic Carbenes That Contain a Weakly Coordinating Borate Moiety: New MAO-Free Ethylene Polymerization Catalysts
Atsushi Igarashi, Eugene L. Kolychev, Matthias Tamm, and Kotohiro Nomura
Organometallics (2016)
http://pubs.acs.org/doi/abs/10.1021/acs.organomet.6b00200
Synthesis of (Imido)Vanadium(V) Dichloride Complexes Containing Anionic N-Heterocyclic Carbenes That Contain a Weakly Coordinating Borate Moiety: New MAO-Free Ethylene Polymerization Catalysts
Atsushi Igarashi, Eugene L. Kolychev, Matthias Tamm, and Kotohiro Nomura
Organometallics (2016)
http://pubs.acs.org/doi/abs/10.1021/acs.organomet.6b00200
2016/05/28 "Spring School" sponsored by 3D Active-Site was held at Tohoku University.
Date : May 28 - 29, 2016
Place : Aoba Science Hall at Aobayama Campus of Tohoku University
http://spring-school-2016.3d-activesite.jp
"2nd Spring School" was held at Aobayama Campus of Tohoku University. There were 36 attendees including the lecturers.
The program was as follows,
*1st day : Lectures by Prof. Yamazaki (Hokkaido Univ.), Prof. Wakabayashi(Osaka Univ.), Prof. Matsui(NAIST), Poster Presentation, Tutorials in 3 groups
* 2nd day : Oral Presentations, Presentations about the tutorials on May 28
Date : May 28 - 29, 2016
Place : Aoba Science Hall at Aobayama Campus of Tohoku University
http://spring-school-2016.3d-activesite.jp"2nd Spring School" was held at Aobayama Campus of Tohoku University. There were 36 attendees including the lecturers.
The program was as follows,
*1st day : Lectures by Prof. Yamazaki (Hokkaido Univ.), Prof. Wakabayashi(Osaka Univ.), Prof. Matsui(NAIST), Poster Presentation, Tutorials in 3 groups
* 2nd day : Oral Presentations, Presentations about the tutorials on May 28
2016/5/21 Our supported event "Seminar in Catalysis and Fine Chemicals, Catalysis Society
of Japan" was held.
Date&Time : 2016/5/21(Sat)10:30-17:30
Place : Seminar Room at Internationsl Building, Graduate School of Engineering Science of Osaka University (Toyonaka Campus)
Please visit the website below for more information.
Date&Time : 2016/5/21(Sat)10:30-17:30Place : Seminar Room at Internationsl Building, Graduate School of Engineering Science of Osaka University (Toyonaka Campus)
Please visit the website below for more information.
2016/4 Proceedings of "Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer Scales using modern X-Ray and Neutron Techniques" are published on ZEITSCHRIFT FÜR PHYSIKALISCHE CHEME.
2016/3/28 Our member's paper was issued from Journal of Applied Physics.
Large As sublattice distortion in sphalerite ZnSnAs2 thin films revealed by x-ray fluorescence holography
Kouichi Hayashi, Naotaka Uchitomi, Keitaro Yamagami, Akiko Suzuki, Hayato Yoshizawa, Joel T. Asubar, Naohisa Happo and Shinya Hosokawa
J. Appl. Phys. 119, 125703 (2016)
Large As sublattice distortion in sphalerite ZnSnAs2 thin films revealed by x-ray fluorescence holographyKouichi Hayashi, Naotaka Uchitomi, Keitaro Yamagami, Akiko Suzuki, Hayato Yoshizawa, Joel T. Asubar, Naohisa Happo and Shinya Hosokawa
J. Appl. Phys. 119, 125703 (2016)
2016/3/21 Our member's paper was issued from Applied Physics Letters.
A divalent rare earth oxide semiconductor: Yttrium monoxide
Kenichi Kaminaga, Ryosuke Sei, Kouichi Hayashi, Naohisa Happo, Hiroo Tajiri, Daichi Oka, Tomoteru Fukumura, Tetsuya Hasegawa
Appl. Phys. Lett. 108, 122102 (2016)
http://dx.doi.org/10.1063/1.4944330
A divalent rare earth oxide semiconductor: Yttrium monoxide
Kenichi Kaminaga, Ryosuke Sei, Kouichi Hayashi, Naohisa Happo, Hiroo Tajiri, Daichi Oka, Tomoteru Fukumura, Tetsuya Hasegawa
Appl. Phys. Lett. 108, 122102 (2016)
http://dx.doi.org/10.1063/1.4944330
2016/3/14-15 Our supported event "11th SR Surface Science Research Division & Microscopic/Nano Material Science Group Joint Symposium was held.
Date : 2016/3/14(Mon)-15(Tue)
Place : SPring-8 (http://www.spring8.or.jp/en/about_us/access/ )
As for the details, please see the web page below.
Sponsored by SR Surface Science Research Division & Micorscopie/Nano Material Science Group
Supported by Infrared Spectroscopy by Synchrotron Radiation, "3D Active-Site Science"
Date : 2016/3/14(Mon)-15(Tue)
Place : SPring-8 (http://www.spring8.or.jp/en/about_us/access/ )
As for the details, please see the web page below.
Sponsored by SR Surface Science Research Division & Micorscopie/Nano Material Science GroupSupported by Infrared Spectroscopy by Synchrotron Radiation, "3D Active-Site Science"
2016/03/7-9 3rd Report Meeting of Recent Results was held at Nagoya .
Date : 2016/03/7(Mon)-2016/03/9(Wed)
Venue : Nagoya Institute for Technology (http://www.nitech.ac.jp/access/)
Please click here for the details of the meeting.
Date : 2016/03/7(Mon)-2016/03/9(Wed)
Venue : Nagoya Institute for Technology (http://www.nitech.ac.jp/access/)
Please click here for the details of the meeting.
2016/3/1-3/2 Our supported event "Seminar at Insutitute for Protein Research" was held.
Date : 2016/3/1 9:30 - 2016/3/2 16:30
Place : Research Center for Advanced Science and Technology
HP : http://www.protein.rcast.u-tokyo.ac.jp/tanpakuken2016/
Please click here to see the poster.
Date : 2016/3/1 9:30 - 2016/3/2 16:30Place : Research Center for Advanced Science and Technology HP : http://www.protein.rcast.u-tokyo.ac.jp/tanpakuken2016/Please click here to see the poster.
2016/02/15 Our news letter was issued.
2016/2/9 A paper of the collaborative research between our planned research groups was published from Chem. Eur. J.
A result of collaborative research between Nano Catalysts Group (Prof. Motokura) and Surface/Interface Holography (Prof. Wakabayashi and Dr. Tajiri) was issued from Chem. Eur. J.
Authors : H. Noda, K. Motokura, Y. Wakabayashi, K. Sasaki, H. Tajiri, A. Miyaji, S. Yamaguchi, T. Baba
Title : Direct Estimation of the Surface Location of Immobilized Functional Groups for Concerted Catalysis Using a Probe Molecule
Journal : Chem. Eur. J., Accepted manuscript
DOI: 10.1002/chem.201600263
web: http://onlinelibrary.wiley.com/doi/10.1002/chem.201600263/full
A result of collaborative research between Nano Catalysts Group (Prof. Motokura) and Surface/Interface Holography (Prof. Wakabayashi and Dr. Tajiri) was issued from Chem. Eur. J.
Authors : H. Noda, K. Motokura, Y. Wakabayashi, K. Sasaki, H. Tajiri, A. Miyaji, S. Yamaguchi, T. Baba
Title : Direct Estimation of the Surface Location of Immobilized Functional Groups for Concerted Catalysis Using a Probe Molecule
Journal : Chem. Eur. J., Accepted manuscript
DOI: 10.1002/chem.201600263
web: http://onlinelibrary.wiley.com/doi/10.1002/chem.201600263/full
2016/1/23 Site Visit in Tokyo Metropolitan University and Tokyo Institute of Technology and Coordination Committee Meeting
Site
Visit of laboratories of Tokyo Metropolitan University and Tokyo Institute of Technology was held. After
presentations of recent results of groups of the two university, we visit
laboratories of Prof. Nomura, Prof. Tsutsui, Pro. Wakabayashi and Prof. Motokura. We also
had a Coordination Committee Meeting to discuss the project plans including the 3rd anual report meeting, organization of the next international conference and so on.
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2016/1/19 Our head investigator, Hiroshi Daimon, gave a special lecture at 1st Lecture Meeting FY2015 of Kansai Br. of The Vacuum Society of Japan
Date & Place : 2016/1/19日(Tue) 16:00-17:30
Place : Kansai Office of Shimadzu
Speaker : Hiroshi Daimon (Nara Institute of Science and Technology)
Date & Place : 2016/1/19日(Tue) 16:00-17:30
Place : Kansai Office of Shimadzu
Speaker : Hiroshi Daimon (Nara Institute of Science and Technology)
2016/1/15 Our co-investigator Dr. Ken Motokura received the prize "The Chemical Society of Japan Award For Young Chemists for 2015".
Prize Winner : Ken Motokura, Lecturer of Tokyo Institute of Technology
Prize Title : Development of Multi-Active Site Catalysts for Surface Concerted
Catalysis Aimed at One-Pot Synthesis
The prize ceremony will be held at the CSJ 96th Annual Meeting at Doshisha University on March 26, 2016.
Prize Winner : Ken Motokura, Lecturer of Tokyo Institute of Technology
Prize Title : Development of Multi-Active Site Catalysts for Surface Concerted Catalysis Aimed at One-Pot Synthesis
The prize ceremony will be held at the CSJ 96th Annual Meeting at Doshisha University on March 26, 2016.
2016/1/13-17 Our supported event "The Symposium on Surface and Nano Science 2016 (SSNS’16) " was held.
Date : 2016/1/13/(Wed)-17(Sun)
Place : New Furano Prince Hotel
Sponsored by Thin Film and Surface Physic Division of Applied Physics ociety of Japan
Supported by The Surface Science Society of Japan, The Physical Society of Japan, "3D Active-Site Science"
Date : 2016/1/13/(Wed)-17(Sun)
Place : New Furano Prince Hotel
Sponsored by Thin Film and Surface Physic Division of Applied Physics ociety of JapanSupported by The Surface Science Society of Japan, The Physical Society of Japan, "3D Active-Site Science"
2016/1/9-11 The members gave specially-planned lectures at the 29th Annual Meeting of the Japanese Society for Synchrotron Radiation Research (JSSRR2016)
Date : 2016/01/09(Sat)-11(Mon)
Venue: The University of Tokyo Kashiwa Campus Station Satellite/Kashiwa-No-Ha Conference Center/OakVillage Kashiwanoha
http://www.jssrr.jp/jsr2016/index.html
Specially-Planned Lecture 1
Date : 2016/01/10 (Sun) 9:00-12:00
Venue: Kashiwa-No-Ha Conference Center
http://www.jssrr.jp/jsr2016/index1.html
Titiel : Frontiers in Visualization of 3D Active-Site
Speakers:
Hiroo Tajiri (Japan Synchrotron Radiation Research Institute)
Kouichi Hayashi(Nagoya Institute of Technology)
Yusuke Wakabayashi (Osaka University)
Kazuto Akagi (Tohoku University)
Yuji Sasaki(University of Tokyo)
Fumihiko Matsui (Nara Institute of Science and Technology)
Tomohiro Matsushita (Japan Synchrotron Radiation Research Institute)
Kazuo Tsutsui (Tokyo Institute of Technology)
Hiroshi Daimon (Nara Institute of Science and Technology)
The specially-planned lectures had more than 80 audiances and ended successfully.
Date : 2016/01/09(Sat)-11(Mon)Venue: The University of Tokyo Kashiwa Campus Station Satellite/Kashiwa-No-Ha Conference Center/OakVillage Kashiwanohahttp://www.jssrr.jp/jsr2016/index.html
Specially-Planned Lecture 1Date : 2016/01/10 (Sun) 9:00-12:00
Venue: Kashiwa-No-Ha Conference Center
http://www.jssrr.jp/jsr2016/index1.html
Titiel : Frontiers in Visualization of 3D Active-Site
Speakers:
Hiroo Tajiri (Japan Synchrotron Radiation Research Institute)
Kouichi Hayashi(Nagoya Institute of Technology)
Yusuke Wakabayashi (Osaka University)
Kazuto Akagi (Tohoku University)
Yuji Sasaki(University of Tokyo)
Fumihiko Matsui (Nara Institute of Science and Technology)
Tomohiro Matsushita (Japan Synchrotron Radiation Research Institute)
Kazuo Tsutsui (Tokyo Institute of Technology)
Hiroshi Daimon (Nara Institute of Science and Technology)
The specially-planned lectures had more than 80 audiances and ended successfully.![]()
2015/12/22 A paper of the collaborative research between our planned research groups was published from ACS Catalysis.
Journal:ACS
Catal., Just Accepted Manuscript
Tittle:Design of Core-Pd/Shell-Ag
Nanocomposite Catalyst for Selective Semihydrogenation of Alkynes
Authors :T.
Mitsudome, T. Urayama, K. Yamazaki, Y. Maehara, J. Yamasaki, K. Gohara, Z.
Maeno, T. Mizugaki, K. Jitsukawa, K. Kaneda
DOI: 10.1021/acscatal.5b02518
http://pubs.acs.org/doi/abs/10.1021/acscatal.5b02518
Journal:ACS Catal., Just Accepted Manuscript
Tittle:Design of Core-Pd/Shell-Ag Nanocomposite Catalyst for Selective Semihydrogenation of Alkynes
Authors :T. Mitsudome, T. Urayama, K. Yamazaki, Y. Maehara, J. Yamasaki, K. Gohara, Z. Maeno, T. Mizugaki, K. Jitsukawa, K. Kaneda
DOI: 10.1021/acscatal.5b02518
http://pubs.acs.org/doi/abs/10.1021/acscatal.5b02518
2015/12/14 Our member's paper was published and its press release was issued.
Journal :Scientific Reports (Electric Journal of Nature Publishing Group)
Tittle:Time-resolved X-ray Tracking of Expansion and Compression
Dynamics in Supersaturating Ion-Networks
Authors :Y. Matsushita, H. Sekiguchi, K. Ichiyanagi, N. Ohta K. Ikezaki,
Y. Goto, Y. C. Sasaki
DOI No.:10.1038/srep17647
URL:www.nature.com/articles/srep17647
Journal :Scientific Reports (Electric Journal of Nature Publishing Group)
Tittle:Time-resolved X-ray Tracking of Expansion and Compression Dynamics in Supersaturating Ion-Networks
Authors :Y. Matsushita, H. Sekiguchi, K. Ichiyanagi, N. Ohta K. Ikezaki, Y. Goto, Y. C. Sasaki
DOI No.:10.1038/srep17647
URL:www.nature.com/articles/srep17647
2015/12/5 Site Visit and Coordination Committee Meeting in Okayama University
Site Visit of Okayama University was held on 5th-December. After presentations of recent results of Okayama Univ. Group, we visit laboratories of Prof. Kubozono, Prof. Yokoya, and Prof. Kudoh. We also had a Coordination Committee Meeting in Okayama
Univ. to discuss the project plans including organization of the next international conference and |
2015/11/28 The lectures at "Spring School" was released at Youtube.
Click here to watch the lectures
Click here to watch the lectures
2015/11/27-28 Our supported workshop "The present and future of organic photovoltaics" was held.
Date : 2015/11/27 (Fri)-28(Sat)
Place : Graduate School of Materials Science, Nara Institute of Science and Technology
Click here for the detailed information.
Organized by Nara Institute of Science and Technology
Supported by "3D-active Site Science"
Date : 2015/11/27 (Fri)-28(Sat)Place : Graduate School of Materials Science, Nara Institute of Science and TechnologyClick here for the detailed information.Organized by Nara Institute of Science and TechnologySupported by "3D-active Site Science"
2015/11/23-24 Our supported event entitled "A
variety of microscopic surface imaging" has been held.
Date : 2015/11/23(Mon) - 2015/11/24(Tue)
Venue : Shingu-sou (http://www.shinguso.com/shisetu.html)
Event : The
3rd Meeting of Young Researchers' Society for a Variety of Microscopic Imaging
Techniques, The Japanese Society of Microscopy "A
variety of microscopic surface imaging"
For the details of the event, please click here.
Our member gave an invited speech.
●Speaker : Prof. Yusuke Wakabayashi (Osaka University)
Date : 2015/11/23(Mon) - 2015/11/24(Tue)Venue : Shingu-sou (http://www.shinguso.com/shisetu.html)Event : The 3rd Meeting of Young Researchers' Society for a Variety of Microscopic Imaging Techniques, The Japanese Society of Microscopy "A variety of microscopic surface imaging"
For the details of the event, please click here.
Our member gave an invited speech.
●Speaker : Prof. Yusuke Wakabayashi (Osaka University)
2015/11/23-27 "Asian Polyolefin Workshop 2015" (APO2015) was held as a co-organized event
Date : 2015/11/23(Mon)-2015/11/27(Fri)
Venue : Tokyo Metropolitan University
Topics :
●Olefin polymerization catalysts
●Synthesis of new, fine polyolefins
●Structure and property analysis of polyolefins
●Engineering aspects of olefin polymerization
Please click here for the details of the lecture on Nov. 23 by Prof. Dr. Walter Kaminsky who has contributed to discover and industrialize metallocene catalyst.
Organized by Catalysis Society of Japan
Co-corganized by 3D Active-Site Science
Date : 2015/11/23(Mon)-2015/11/27(Fri)Venue : Tokyo Metropolitan UniversityTopics :●Olefin polymerization catalysts
●Synthesis of new, fine polyolefins
●Structure and property analysis of polyolefins
●Engineering aspects of olefin polymerizationPlease click here for the details of the lecture on Nov. 23 by Prof. Dr. Walter Kaminsky who has contributed to discover and industrialize metallocene catalyst.Organized by Catalysis Society of JapanCo-corganized by 3D Active-Site Science
2015/11/14-15 A supported program was attended to the event "Science Agora".
The
biggest science event “Science Agora” (http://www.jst.go.jp/csc/scienceagora/)
sponsored by Japan Science and Technology Agency was held in the Odaiba area of
Tokyo and we supported the program sponsored by Protein Data Bank Japan(PDBj).
Booth No Aa-063
“Let’s
touch the parts of creatures” (at 1st floor of Hall A)
The biggest science event “Science Agora” (http://www.jst.go.jp/csc/scienceagora/) sponsored by Japan Science and Technology Agency was held in the Odaiba area of Tokyo and we supported the program sponsored by Protein Data Bank Japan(PDBj).
Booth No Aa-063
“Let’s touch the parts of creatures” (at 1st floor of Hall A)
![]()
2015/11/13-15 9th Joint Symposium of the MEXT Projects on Condensed Matter Science was held.
Date :2015/11/13(Fri)-15(Sun)
Place:University of Tokyo
・Lecture Hall on 5th Floor of Science Chemistry Bldg. on Nov.13
The members gave lectures.
Date & time :15:20-16:50 on 2015/11/13(Fri)
● Hiroshi Daimon (Nara Institute of Science and Technology)
● Kouichi Hayashi(Nagoya Institute of Technology)
● Yuji Sasaki (University of Tokyo)
Date :2015/11/13(Fri)-15(Sun)Place:University of Tokyo
・Lecture Hall on 5th Floor of Science Chemistry Bldg. on Nov.13
The members gave lectures.Date & time :15:20-16:50 on 2015/11/13(Fri)● Hiroshi Daimon (Nara Institute of Science and Technology)● Kouichi Hayashi(Nagoya Institute of Technology)● Yuji Sasaki (University of Tokyo)
2015/11/12 A member of this project delivered a lecture on holography in Graduate School of Ibaraki University.
Prof. Ohoyama (Ibaraki Univ) gave a lecture on neutron holography in graduated school of science and engineering, Ibaraki Univ (Hitachi, Japan). Importance of understanding of local structures, principle of holography and resent results of holography were explained to students of the master course.
Prof. Ohoyama (Ibaraki Univ) gave a lecture on neutron holography in graduated school of science and engineering, Ibaraki Univ (Hitachi, Japan). Importance of understanding of local structures, principle of holography and resent results of holography were explained to students of the master course.
2015/11/07 A member gave a lecture on neutron holography in an extramural lecture meeting to th e public.
PSJ Extramural Lecture on Crystal and diffraction: 100th Anniversary of Bragg reflection
Date:2015/11/7 (Sat)
Venue:Koshiba Hall, The University Tokyo
Organiser:Physical Scoiety of Japan
http://www.jps.or.jp/public/koukai/koukai-2015-11-07.php
This event was an commemorating lecture meeting of 100th anniversary of the discovery of Bragg reflection. Over 140 people including 14 high school students were present. Four lectures about investigations using X-ray, electrons, positrons and neutrons are presented for high school students and people who are interesting in science. Prof. Ohoyama (Ibaraki Univ.), a member of this project, gave a lecture on holography and local structures investigations.
PSJ Extramural Lecture on Crystal and diffraction: 100th Anniversary of Bragg reflection
Date:2015/11/7 (Sat)
Venue:Koshiba Hall, The University Tokyo
Organiser:Physical Scoiety of Japan
http://www.jps.or.jp/public/koukai/koukai-2015-11-07.php
This event was an commemorating lecture meeting of 100th anniversary of the discovery of Bragg reflection. Over 140 people including 14 high school students were present. Four lectures about investigations using X-ray, electrons, positrons and neutrons are presented for high school students and people who are interesting in science. Prof. Ohoyama (Ibaraki Univ.), a member of this project, gave a lecture on holography and local structures investigations.
2015/11/2-3 Three members gave invited talks in international symposium ISAMMDoF2015 in Kumamoto Univ.
International Symposium on Advanced Materials Having Multi-Degrees-of-Freedom
- ISAMMDoF2015
Date:2015/11/2-3
Venue: Kumamoto Univ. (Kumamoto)
http://phys.ipps.kumamoto-u.ac.jp/ISAMMDoF2/
Speakers:
Prof. Koichi Hayash (Nagoya Institute of Technology)
Prof. Kenji Ohoyama (Ibaraki Univ.)
Prof. Fumihiko Matsui (Nara Institute of Science and Technology)
International Symposium on Advanced Materials Having Multi-Degrees-of-Freedom
- ISAMMDoF2015
Date:2015/11/2-3
Venue: Kumamoto Univ. (Kumamoto)
http://phys.ipps.kumamoto-u.ac.jp/ISAMMDoF2/
Speakers:
Prof. Koichi Hayash (Nagoya Institute of Technology)
Prof. Kenji Ohoyama (Ibaraki Univ.)
Prof. Fumihiko Matsui (Nara Institute of Science and Technology)
2015/11/06 The following paper was published fromJournal of the American
Chemical Society.
"One-step Synthesis of Core-Gold/Shell-Ceria Nanomaterial and Its Catalysis for Highly Selective Semihydrogenation of Alkynes"
Takato Mitsudome, Masaaki Yamamoto, Zen Maeno,Tomoo Mizugaki, Koichiro
Jitsukawa, and Kiyotomi Kaneda
J. Am. Chem. Soc. (Communication)
http://pubs.acs.org/doi/full/10.1021/jacs.5b07521
"One-step Synthesis of Core-Gold/Shell-Ceria Nanomaterial and Its Catalysis for Highly Selective Semihydrogenation of Alkynes"
Takato Mitsudome, Masaaki Yamamoto, Zen Maeno,Tomoo Mizugaki, Koichiro
Jitsukawa, and Kiyotomi Kaneda
J. Am. Chem. Soc. (Communication)
http://pubs.acs.org/doi/full/10.1021/jacs.5b07521
2015/10/28 Special session was held at ALC'15
Atomic Level Characterization (ALC)'15
Date :2015/10/25(Sun)-30(Fri)
Venue: Kunibiki Messe (1-2-1 Gakuen minami, Matsue-City, Shimane, Japan)
Suponsored by : The 141th Committee on Microbeam Analysis of Japan Society for the Promotion of Science
Special Session on 3D Active-Site Science (2015/10/28)
Session Title "3D holographic imaging and characterizations of active atomic sites"
Date/Time : 2015/10/28 (Wed) 9:00-12:30
Invited Speakers
● Prof. Hiroshi DAIMON (Nara Institute of Science and Technology)
● Prof. Chuck FADLEY (University of California, Davis)
● Prof. Pawel KORECKI (Jagiellonian University)
● Prof. Peter KRÜGER (Chiba University)
● Dr. Lada YASHINA (Moscow university)
Atomic Level Characterization (ALC)'15Date :2015/10/25(Sun)-30(Fri)Venue: Kunibiki Messe (1-2-1 Gakuen minami, Matsue-City, Shimane, Japan)Suponsored by : The 141th Committee on Microbeam Analysis of Japan Society for the Promotion of Science
Special Session on 3D Active-Site Science (2015/10/28)Session Title "3D holographic imaging and characterizations of active atomic sites"Date/Time : 2015/10/28 (Wed) 9:00-12:30Invited Speakers● Prof. Hiroshi DAIMON (Nara Institute of Science and Technology)
● Prof. Chuck FADLEY (University of California, Davis)● Prof. Pawel KORECKI (Jagiellonian University)● Prof. Peter KRÜGER (Chiba University)● Dr. Lada YASHINA (Moscow university)
2015/10/11-15 The members gave invited lectures on JCS-2015 held in Slovakia
2015/10/11-15 The members gave invited lectures on JCS-2015 held in Slovakia
The 6th JCS International Symposium on Theoretical Chemistry (JCS-2015)
Date :2015/10/11(Sun)-15(Thu)
Venue :the Congress Center of the Slovak Academy of Science, Slovakia
●Speaker 1) Yasuteru Shigeta, University of Tsukuba (Oct.12, 2015)
Title : Simple Conformational Search Algorithms For Protein Folding
●Speaker 2) Yu Takano, Hiroshima City University (Oct.14, 2015)
Title : Theoretical Analysis of the Electronic Asymmetry of the Special Pair
Cation Radical in the Photosynthetic Reaction Center
http://jcs-2015.sav.sk
http://jcs-2015.sav.sk http://jcs-2015.sav.sk/node/4 (Program)
The 6th JCS International Symposium on Theoretical Chemistry (JCS-2015)
Date :2015/10/11(Sun)-15(Thu)
Venue :the Congress Center of the Slovak Academy of Science, Slovakia
●Speaker 1) Yasuteru Shigeta, University of Tsukuba (Oct.12, 2015)
Title : Simple Conformational Search Algorithms For Protein Folding
●Speaker 2) Yu Takano, Hiroshima City University (Oct.14, 2015)
http://jcs-2015.sav.sk
Title : Theoretical Analysis of the Electronic Asymmetry of the Special Pair
Cation Radical in the Photosynthetic Reaction Center
http://jcs-2015.sav.sk http://jcs-2015.sav.sk/node/4 (Program)
2015/9/18 The member has given an invited lecture at the symposium of JPS 2015 Autumn Meeting
JPS 2015 Autumn Meeting
Date:2015/9/16(Wed)-19(Sat)
Venue : Senriyama campus, KANSAI University
【Joiong Symposium of Field 5 and Field 9】
Date/Time of Symposium : 2015/9/18(Fri)13:30-17:00
Symposium Title : The stream and prospects of condensed matter physics in
subsurface region using novel spectroscopy
Lecture Title : Atomic-Orbital-Excited Diffraction as Local Electronic Property
Analysis Method
Speaker : Prof. Fumihiko Matsui (Nara Institute of Science and Technology)
JPS 2015 Autumn MeetingDate:2015/9/16(Wed)-19(Sat)Venue : Senriyama campus, KANSAI University【Joiong Symposium of Field 5 and Field 9】Date/Time of Symposium : 2015/9/18(Fri)13:30-17:00Symposium Title : The stream and prospects of condensed matter physics insubsurface region using novel spectroscopyLecture Title : Atomic-Orbital-Excited Diffraction as Local Electronic PropertyAnalysis MethodSpeaker : Prof. Fumihiko Matsui (Nara Institute of Science and Technology)
2015/09/16 Head Investigator, Prof. Hiroshi Daimon has given a special lecture at the 116th Meeting of Calysis Society of Japan
Date : 2015/9/16(Wed)
Venue : Mie University
Title : Challenge to visualize the atomic rearrangement in
chemical reaction by “3D active-site science”
Speaker : Prof. Hiroshi Daimon (NAIST)
Date : 2015/9/16(Wed)Venue : Mie UniversityTitle : Challenge to visualize the atomic rearrangement in chemical reaction by “3D active-site science”Speaker : Prof. Hiroshi Daimon (NAIST)
2015/09/23 The member has given an invited lecture at "Advances in Polylefins 2015".
Advances in Polyolefins 2015
Date:2015/09/23(Wed)
Place:Santa Rosa, California, USA
Title :Synthesis of Cyclic Olefin (Co)Polymers by Olefin Insertion/Metathesis Polymerization
Speaker : K. Nomura, Tokyo Metropolitan University
http://polyacs.net/Workshops/15Polyolefins/home.htm
Advances in Polyolefins 2015
Date:2015/09/23(Wed)
Place:Santa Rosa, California, USA
Title :Synthesis of Cyclic Olefin (Co)Polymers by Olefin Insertion/Metathesis Polymerization
Speaker : K. Nomura, Tokyo Metropolitan University
http://polyacs.net/Workshops/15Polyolefins/home.htm
2019/09/19 Theory group meeting has been held.
Date : 2015/09/19 (Sat)14:00 - 18:00
Place:Osaka University Nakanoshima Center
There were 16 members attending this meeting. They had active discussions and exchanged information for the purpose of promoting their collaborative researches.
Date : 2015/09/19 (Sat)14:00 - 18:00
Place:Osaka University Nakanoshima CenterThere were 16 members attending this meeting. They had active discussions and exchanged information for the purpose of promoting their collaborative researches.
2019/09/19 Theory group meeting has been held at Osaka University Nakanoshima Center.
2015/09/13 The cosponsored symposium has been held at the 53rd Annual Meeting of Biophysical Society of Japan and the members of 3D Active-Site Science have given their speech
Date : 2015/9/13(Sun)
Venue : Kakuma Campus of Kanazawa University
Symposium Title : Novel 3D imaging of active sites in biomolecular systems to understand the biochemical functions
1) Direct 3D atomic structure analysis project for active-site of bio-molecules by atomic-resolution holography(Hiroshi Daimon /NAIST)
2) Single Molecule Observations by Quantum Beams and Analysis of Functional Active-sites(Yuji Sasaki /The University of Tokyo)
3)Toward understanding ligand-gated ion channels -Potential of diffracted X-ray tracking and atomic resolution holography- (Yuri Nishino/Univ. Hyogo)
4) A QM/MM study of catalytic mechanism of nitrile hydratase (Megumi Kayanuma/Univ. Tsukuba)
5) Challenge of X-ray fluorescence hologaphy toward biomaterials (Koichi Hayashi/Nagoya Inst.of Tech.)
6) Structural dynamics measurements of the intermediate states in the ligand-photolysis of hemoglobin (Ayana Sato/ch. Med., Univ. Jichi)
7) Theoretical study of the relationship between heme distortion and redox potential(Yu Takano/Hiroshima City Univ.)
Date : 2015/9/13(Sun)Venue : Kakuma Campus of Kanazawa UniversitySymposium Title : Novel 3D imaging of active sites in biomolecular systems to understand the biochemical functions1) Direct 3D atomic structure analysis project for active-site of bio-molecules by atomic-resolution holography(Hiroshi Daimon /NAIST)2) Single Molecule Observations by Quantum Beams and Analysis of Functional Active-sites(Yuji Sasaki /The University of Tokyo)3)Toward understanding ligand-gated ion channels -Potential of diffracted X-ray tracking and atomic resolution holography- (Yuri Nishino/Univ. Hyogo)4) A QM/MM study of catalytic mechanism of nitrile hydratase (Megumi Kayanuma/Univ. Tsukuba)5) Challenge of X-ray fluorescence hologaphy toward biomaterials (Koichi Hayashi/Nagoya Inst.of Tech.)6) Structural dynamics measurements of the intermediate states in the ligand-photolysis of hemoglobin (Ayana Sato/ch. Med., Univ. Jichi)7) Theoretical study of the relationship between heme distortion and redox potential(Yu Takano/Hiroshima City Univ.)
2015/09/07 "International Workshop for Green Photonics" has been held as a cosponsorship event
Date: 2015/9/7(Mon) 13:30〜17:45
Venue: Nara Institute of Science and Technology, Graduate School of Materials Science, Lecture Room
Download (PDF)
Organiser
Nara Institute of Science and Technology, Graduate School of Materials Science
Cosponsor
3D Active-Site Science Project
Date: 2015/9/7(Mon) 13:30〜17:45
Download (PDF)
Venue: Nara Institute of Science and Technology, Graduate School of Materials Science, Lecture Room
Organiser
Nara Institute of Science and Technology, Graduate School of Materials ScienceCosponsor
3D Active-Site Science Project
2015/09/4-6 2nd Report Meeting of Recent Results has been held in Tsukuba
Date: 2015/09/04-06
Venue: KEK, Tsukuba Campus(https://www.kek.jp/ja/Access/Tsukuba/) Mt Tsukuba KEISEI Hotel(http://tsukuba.pw/hotel/index.html)
Schedule9/4 (KEK) : Greeting from Prof. DAIMON・Prof. MURAKAMI (KEK-PF), activity reports by Planned Research Group , site visit of PF9/4 (Hotel): Poster session, Meeting dinner9/5 (Hotel): Activity Reports by young researchers and open type research group , poster session9/6 (Hotel): Activity Reports by open type research group
This meeting has been held for three days. There are 105 participants in total including members of 3D active-site science, the advisers, Prof. Tsukada, Prof. Kawai, the study researchers, Prof. Katagiri, and Prof. Kojima and lots of graduate students of the related labs.
The following people got the poster prize named "Daimon Prize" among the 63 posters.
1st Prize : Fumina Sato (Jichi Medical University / Biological Materials Group)
2ne Prize : Lu Zheng (Okayama University / Organic Device Group)
Mitsuo Shoji (University of Tsukuba / Biomolecular Simulation Group)
As the participants has stayed together for three days, they could concentrate to get the information of the studies-in-progress, exchange to each study and discuss the future study plans. Also it must be a good opportunity for the young researcher to get a strong motivation to move forward their study.
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Date: 2015/09/04-06 Venue: KEK, Tsukuba Campus(https://www.kek.jp/ja/Access/Tsukuba/) Schedule This meeting has been held for three days. There are 105 participants in total including members of 3D active-site science, the advisers, Prof. Tsukada, Prof. Kawai, the study researchers, Prof. Katagiri, and Prof. Kojima and lots of graduate students of the related labs.
The following people got the poster prize named "Daimon Prize" among the 63 posters.
1st Prize : Fumina Sato (Jichi Medical University / Biological Materials Group)
2ne Prize : Lu Zheng (Okayama University / Organic Device Group)
Mitsuo Shoji (University of Tsukuba / Biomolecular Simulation Group)
As the participants has stayed together for three days, they could concentrate to get the information of the studies-in-progress, exchange to each study and discuss the future study plans. Also it must be a good opportunity for the young researcher to get a strong motivation to move forward their study.
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2015/08/31 - 09/04 27th Computational Materials Design (CMD®) Workshop has been held

Date 2015/08/31~09/4
Venue:Osaka University (Osaka, Japan)Access Map
Deadline of Registration: 2015/07/26
Organizer:
- Institute for NanoScience Design (INSD),Osaka University
- Graduate School of Engineering Science, Osaka University
- Institute of Scientific and Industrial Research, Osaka University
- Graduate School of Engineering, Osaka University
- Graduate School of Science, Osaka University
- Tokyo University of Science
- Computational Materials Science Initiative(CMSI)
- Japan Society for the Promotion of Science (JSPS) Core-to-Core Program A.Advanced Research Networks
- Osaka University Quantum Engineering Design Research Initiative (OU-QEDRI)
- Osaka University Future Research Initiative Group Support Project
- Grant-in-Aid for Scientific Research on Innovative Areas "3D ACTIVE-SITE SCIENCE"
Date 2015/08/31~09/4Venue:Osaka University (Osaka, Japan)Access Map Deadline of Registration: 2015/07/26
Organizer:
- Institute for NanoScience Design (INSD),Osaka University
- Graduate School of Engineering Science, Osaka University
- Institute of Scientific and Industrial Research, Osaka University
- Graduate School of Engineering, Osaka University
- Graduate School of Science, Osaka University
- Tokyo University of Science
- Computational Materials Science Initiative(CMSI)
- Japan Society for the Promotion of Science (JSPS) Core-to-Core Program A.Advanced Research Networks
- Osaka University Quantum Engineering Design Research Initiative (OU-QEDRI)
- Osaka University Future Research Initiative Group Support Project
- Grant-in-Aid for Scientific Research on Innovative Areas "3D ACTIVE-SITE SCIENCE"
2015/08/08 Coordination Committee Meeting was held in Kyoto
2015/07/21 Data Analysis Tutrial was held at SPring-8.
Date : 2015/07/21 14:30- (~2hr)
Venue: SPring-8 Office of 3D Active-Site Science
Lecturer: Dr. T. Matsushita (SPring-8)
Contents : In this tutrial course, lectures of Analysis of fluorescent X-ray holography and Photoelectron Holography were given. 18 researchers held and had active discussions about analysis techniques.
This tutorial course will be held frequently on request.
This tutorial course will be held frequently on request.
Date : 2015/07/21 14:30- (~2hr)
Venue: SPring-8 Office of 3D Active-Site Science
Lecturer: Dr. T. Matsushita (SPring-8)
Contents : In this tutrial course, lectures of Analysis of fluorescent X-ray holography and Photoelectron Holography were given. 18 researchers held and had active discussions about analysis techniques.
2015/07/13 News Letter No.3 was published.
* Introduction of Open Type Research
* Events
・ 20150221 Seminar of Computational Science
・ 20150223-27 CMD Workshop
・ 20150302 Opening Ceremony of SPring-8 Office
・ 20150314-15 1st meeting for progress reports
・ 20150426-30 Int'l. Workshop at Bonn
・ 20150530-31 Spring School 2015
* Highlights
* Schedule
* Introduction of Open Type Research
* Events
・ 20150221 Seminar of Computational Science* Highlights
・ 20150223-27 CMD Workshop
・ 20150302 Opening Ceremony of SPring-8 Office
・ 20150314-15 1st meeting for progress reports
・ 20150426-30 Int'l. Workshop at Bonn
・ 20150530-31 Spring School 2015
* Schedule
2015/07/16 Coordination Committee Meeting was held at SPring-8
2015/07/4 Site Visit and Coordination Committee Meeting in Osaka Univ.
Reports of recent activities by Prof. Mitsudome, Prof. Wakabayashi, Prof. Yamazaki, Prof. Morikawa
Site visit of experimental facilities, in particular 3 MV Ultra-High Voltage Electron Microscopy (UHVEM).
Coordination Committee Meeting was also held at Osaka Univ.
2015/06/17 Prof. Hayashi attended at an International conference as an invited speaker
The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)
Date:2015/06/16-19
Venue:TOKI MESSE Niigata Convention Center
Title : X-ray Fluorescence Holography for Visualization of 3D Local Structures
Speaker : Koichi Hayashi, Tohoku University
The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)Date:2015/06/16-19
Venue:TOKI MESSE Niigata Convention CenterTitle : X-ray Fluorescence Holography for Visualization of 3D Local StructuresSpeaker : Koichi Hayashi, Tohoku University
2015/5/30-31
Spring School 2015 of 3D active-site sciwas held in Nara
2015/5/30-31 Spring School 2015 of 3D active-site sciwas held in Nara
Date:2015/05/30-31
Venue:Nara Kasugano International Forum
Attendant:Mainly students of Master and Doctor courses, and some faculty
members
Spring School 2015 "Introduction and Application of scattering and
spectroscopy techniques for investigation of 3D active-site science" was
held in Nara, which included 11 lectures and a poster session (28 posters). 76 young persons discussed with
other attendants and lecturer
Date:2015/05/30-31Venue:Nara Kasugano International ForumAttendant:Mainly students of Master and Doctor courses, and some faculty members
Spring School 2015 "Introduction and Application of scattering and spectroscopy techniques for investigation of 3D active-site science" was held in Nara, which included 11 lectures and a poster session (28 posters). 76 young persons discussed with other attendants and lecturer
2015/05/11&12 Coordination Committee Meeting was held in SPring-8.
2015/05/11 Kick-off Meeting of Open Type Research was held in SPring-8.
2015/05/11
Venue SPring-8 Lecture Hall
13:00- 14:30 Introduction of Key members
14:30- 17:00 Presentations by Open type Researches
17:00- 18:00 Site tour of SPring-8
19:00- 21:00 Banquet
05/12
10:00- 12:00 Group Meeting
12:00- 13:00 Coordination Committee Meeting
13:00- Free Discussion and Closing
2015/05/11
Venue SPring-8 Lecture Hall
13:00- 14:30 Introduction of Key members
14:30- 17:00 Presentations by Open type Researches
17:00- 18:00 Site tour of SPring-8
19:00- 21:00 Banquet05/12
10:00- 12:00 Group Meeting
12:00- 13:00 Coordination Committee Meeting
13:00- Free Discussion and Closing
2015/04/26-04/30 International WS"Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer Scales using modern X-Ray and Neutron Techniques" was held in Germany.
"Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer Scales using modern X-Ray and Neutron Techniques"
Date: 2015/04/26-30
Venue: Bad Honnef, Bonne, Germany
Home page
Scientific Organizers:
Prof. Dr. Wolf-Christian Pilgrim
Dr. Habil Pawel Korecki
Prof. Kouichi Hayashi
"Element Specific Structure Determination in Materials on Nanometer and Sub-Nanometer Scales using modern X-Ray and Neutron Techniques"
Date: 2015/04/26-30 Venue: Bad Honnef, Bonne, Germany Home page
Scientific Organizers:
Prof. Dr. Wolf-Christian Pilgrim
Dr. Habil Pawel Korecki
Prof. Kouichi Hayashi
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The 1st international activity of this project was successfully held. 26 Japanese scientist were held.
2015/03/14-15 First Report Meeting of Recent Results was held in Kyoto
Date 22015/03/14-15
Venue:International Institute for Advanced Studies (IIAS) (Kyoto, Japan)
The 1st Report Meeting of Recent Results was held at IIAS, which is a core facility in Kansai Science City. Poster sessions of all the members of Project, and reports of key results of each planed research groups was held.
Date 22015/03/14-15
The 1st Report Meeting of Recent Results was held at IIAS, which is a core facility in Kansai Science City. Poster sessions of all the members of Project, and reports of key results of each planed research groups was held.
Venue:International Institute for Advanced Studies (IIAS) (Kyoto, Japan)
2015/03/02 Opening Ceremony of SPring-8 Office of this project has held.
Opening Ceremony of SPring-8 Office of this project has held in SPring-8 with 25 attendants. As invited guests, Doi (Director General of JASRI), Noda (Director General of JASRI), Kagoshima (Professor, University of Hyogo), Takada (Manager of the Research & Utilization Division, JASRI) and Ishikawa (Director of RIKEN SPring-8 Center) extended their congratulations to this project.
Opening Ceremony of SPring-8 Office of this project has held in SPring-8 with 25 attendants. As invited guests, Doi (Director General of JASRI), Noda (Director General of JASRI), Kagoshima (Professor, University of Hyogo), Takada (Manager of the Research & Utilization Division, JASRI) and Ishikawa (Director of RIKEN SPring-8 Center) extended their congratulations to this project.