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This site provides the information on activity and main results of the 3D Active-Site Science Project.  For further information please follow the links listed in the left menu column.

Information

2017/4/26  News Letter No.7 (Japanese version) has been published.

Recent Activity

2017/9/13 A Member had a lecture about Neutron Holography to 38 High School Students in Ibaraki

Prof. Ohoyama (Ibaraki Univ) had a lecture about neutron holography to 38 students of Chuo Senior High School in Omitama, Ibaraki.

2017/9/7 Prof. Daimon gave invited talks at NSRRC in Taiwan.

Date:7 September,2017

Place:NSRRC, Hsinchu, Taiwan

Title:：“Imaging 3D Atomic Structure Around Specific Atoms Using Atomic-resolution Holography” 

2017-9/1 Prof. Daimon gave invited talks at Keihanna.

Date:7 September,2017 15:50-17:00

Place:National Diet Library

Title:Viewing atoms by holography -New science on active-site atoms which govern function of materials-

2017/8/19 A paper of members of this project was published on Science Advances.

The authors reports novel technique, multiple-wavelength neutron holography developed in J-PARC (Tokai, Ibaraki, Japan), which have drastically enhanced accurasy of reconstracted atomic images, in particular, light elements, such as B, H, Li, F.

Journal ： Science Advances
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

2017/7/22-23 A public experiment for children was conducted at the Himeji Science Museum

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.

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.

2017/6/28 A paper of a member of this project was published on ACS Catalysis.

2017/6/9 Prof. Daimon gave keynote speech at EMNANO 2017 at Fukui.

Date: 2017/6/9
Place: AOSSA, Fukui, Japan

Title:3D Local structure Science of Active-site by Atomic-Resolution Stereography and Holography. 

2017/6/7 A paper of a member of this project was published on Physical Review B.

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. 

16 members of Open type Researches discussed with the members of this projects about the research plans.

Date：2017/5/1  13:30-5/2 12:00
Venue：SPring-8 (hyogo)
　　（http://www.spring8.or.jp/ja/about_us/access/）

2017/4/21　A member had a lecture to 26 high school students about holography method.

2017/4/19 A paper of a member of this project was published on Nano Letters

2017/4/3　16 Proposals have been accepted as Open-type Researches in 2017-19

2017/3/29 A paper of our members was published on ACS Nano.

2017/3/19 A paper of a member of this project won a paper award of Physical Society of Japan 2017

2017/3/18　Two Members of this project gave invited talks in 72th Annual Meeting of

Physical Society of Japan

2017/3/15   A paper of our members was published on Chemistry A European Journal

2017/3/14　A student of this project won a poster award of Quantum Beam Science Festa at Tsukuba

2017/3/13-15 The users meeting of MAX IV was held in Lund, Sweden. Some of the members attended to the meeting. After the meeting, the members visited MAX IV and discussed with Dr. Christoph Quitmann (Director of MAX IV) and other beamline staff members, especially about the future collaboration and organization of joint workshop held in October.

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 ↓ https://sites.google.com/a/3d-activesite.jp/170304/

2017/1/30 A paper of our members about a collaboration work in this project was published on Organometallics.

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

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

2016/8/16 Our member,  Ken Motokura, won the Challenging Research Award 2016, Tokyo Institute of Technology

Research Project : Multi-Active Site Surface for Novel Molecular Transformation http://www.rso.titech.ac.jp/cat7/detail_32.html

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 on 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 Cover Page : http://onlinelibrary.wiley.com/doi/10.1002/jcc.24458/full 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–.

2016/7/16 Our member's paper was published on 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 PHYSICAL REVIEW LETTERS  117, 016803 (2016)  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.

2016/7/06 Our member's paper was published on Japanese Journal of Applied Physics

2016/7/1 VUVX 2016 satellite workshop "Local 3D atomic and electronic structure imaging"

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.  

Special Issue: Element Specific Structure Determination Using Modern X-ray and Neutron Techniques / Wolf-Christian Pilgrim, Koichi Hayashi, Shinya Hosokawa, Pawel Korecki

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) http://dx.doi.org/10.1063/1.4945004

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

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 Access  http://www.rcast.u-tokyo.ac.jp/home/access/index_en.html 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.

【Contens】  * Event reports  * Achievements      * Schedule of events

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

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.

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

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     Press Release Unirersity of Tokyo : http://www.k.u-tokyo.ac.jp/info/entry/22_entry441/ SPring-8 :  http://www.spring8.or.jp/ja/news_publications/press_release/2015/151214/ Nikkei web :  http://release.nikkei.co.jp/detail.cfm?relID=402479&lindID=5

2015/12/5 Site Visit and Coordination Committee Meeting in Okayama University

2015/11/28 The lectures at "Spring School" was released at Youtube.

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"

2015/11/14-15 A supported program was attended to the event "Science Agora".

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 http://www.topological-qp.jp/ryoikioudan2015/index.html 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.

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） http://www.shokubai.org/116/

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.) http://www.aeplan.co.jp/jbp2015/index.html

2015/09/07    "International Workshop for Green Photonics" has been held as a cosponsorship event

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）   Schedule 9/4 (KEK) : Greeting from Prof. DAIMON・Prof. MURAKAMI (KEK-PF), activity reports by Planned Research Group , site visit of PF 9/4 (Hotel): Poster session, Meeting dinner 9/5 (Hotel): Activity Reports by young researchers and open type research group , poster session 9/6 (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.

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 http://phoenix.mp.es.osaka-u.ac.jp/CMD/ 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.

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.

2015/05/11&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

Program

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.

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) Program 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.

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.

 

Pictures