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The 3rd CWRU-Tohoku Joint workshop Collaboration on Data Science Engineering

9th and 10th August 2016

Tohoku University Sendai, Japan

Contents Overview P.2

Campus Map P.4

Program P.5

Abstract – Day 1 P.12

Abstract – Day 2 P.35

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Overview <Schedule overview>

9:10 - Registration 9:00 - Registration

9:40 - 10:00 Opening Remarks 9:30 - 9:40 Opening Remarks10:00 - 11:45 Session 1

Invited Talks9:40 - 12:10 Session 4

Plenary and Invited Lectures

11:45 - 13:30 Lunch break 12:10 - 14:00 Lunch break13:30 - 15:50 Session 2

Data Science and Bioinformatics14:00 - 18:30 Session 5

Parallel Sessions & Poster Session

16:00 - 18:30 Session 3Students Session & Poster Preview

18:30 - Get-together party

18:30 - Reception

Day1 Day2Tuesday, August 9 Wednesday, August 10

<Location> Day 1 Graduate School of Information Sciences, Tohoku University (Aobayama campus)

6-3-09, Aramaki-aza-Aoba, Aoba, Sendai, Miyagi, 980-8579

Day 2 Graduate School of Life Sciences, Tohoku University (Katahira campus)

2-1-1, Katahira, Aoba, Sendai, Miyagi, 980-8577

Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University (Katahira campus)

2-1-1, Katahira, Aoba, Sendai, Miyagi, 980-8577

<Organizers> Day 1 Takeshi TOKUYAMA, Mitsuyuki NAKAO, Kengo KINOSHITA, Ryoichi KURODA, Shun

IBARAGI, Kanako SASAKI, Yuichi KAWAMOTO, Kazunori YAMADA

Day 2 Atsushi MURAMATSU, Atsushi HIGASHITANI, Yoshifumi SAIJO, Takehiko WADA

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<Program committee> Day 1 Kengo KINOSHITA, Graduate School of Information Sciences

Day 2 Takehiko WADA, Institute of Multidisciplinary Research for Advanced Materials

<Reception and Get-together party> Day 1 Reception, Location: Restaurant Shikisai (四季彩), Start time: 18:30

Please let us know whether you join it or not at the reception.

Day 2 Get-together party, Location: Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Start time: 18:30

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Campus Map Aobayama campus (Day 1)

Katahira campus (Day 2)

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Program August 9; Workshop on Data Science and Engineering Location: Grad. School of Information Sciences, Tohoku University (Aobayama campus), 09:10- Registration – Large Lecture Hall 206 09:40-10:00 Opening Remarks – Large Lecture Hall 206

Dean/Prof. Takeshi TOKUYAMA (Grad. School of Information Sciences, TU) and Professor Mark CHANCE (School of Medicine, CWRU)

Session 1: Invited Talks – Large Lecture Hall 206

10:00-10:45 Plenary Lecture: “Integrating Biomedical Big Data for Novel Discovery” Professor Jonathan HAINES (Dept. of Epidemiology and Biostatistics, CWRU)

10:45-11:00 Break

11:00-11:45 Invited Lecture: “Circular Economy for Base Metals Recycling, Considering Resource Efficiency for “Create More with Less”” Professor Tetsuya NAGASAKA (Grad. School of Engineering, TU)

11:45-13:30 Lunch break Session 2: Data Science and Bioinformatics – Large Lecture Hall 206

13:30-14:00 Invited Lecture: “Exploring the Biological Nanosystems underlying Exercise-induced Health Benefits” Associate Professor Makoto KANZAKI (Grad. School of Biomedical Engineering, TU)

14:00-14:30 Invited Lecture: “Quantitative Proteomic Platform for Characterizing C. elegans Proteome Associate Professor Masaru MIYAGI (Dept. of Nutrition, CWRU)

14:30-15:00 Invited Lecture: “Dietary pattern and health outcomes” Professor Ryoichi NAGATOMI (Grad. School of Biomedical Engineering, TU)

15:00-15:10 Break

15:10-15:30 Invited Lecture: “Big Data Informatics in Brain Connectivity Research: Hadoop, Semantic Web, and Provenance Metadata”

Assistant Professor Satya SAHOO (Dept. of Epidemiology and Biostatistics, CWRU)

15:30-15:50 Invited Lecture: “Distribution of Human Single Nucleotide Variants at Protein Functional Sites and Its Relation to Minor Allele Frequency” Assistant Professor Hafumi NISHI (Grad. School of Information Sciences, TU)

15:50-16:00 Break

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Session 3: Students Session & Poster Session

Short Presentation & Poster Presentation – Large Lecture Hall 206

16:00-16:10 Short Presentation: “An Open-Source Image Analysis Framework for Spatially Resolvable Data of Photovoltaics via Computer Vision Techniques”

Justin FADA (School of Engineering, CWRU)

16:10-16:20 Short Presentation: “EDIFES: Scalable Data Analytics Platform for Virtual Building Energy Audits”

Ethan PICKERING (School of Engineering, CWRU)

16:20-16:30 Short Presentation: “Frequent Subgraph Mining of Personalized Signaling Pathway Networks Groups Patients with Frequently Dysregulated Disease Pathways and Predicts Prognosis”

Arda DURMAZ (School of Medicine, CWRU) 16:30-16:40 Short Presentation: “Drug Response Prediction as a Link Prediction Problem”

Zachary STANFIELD (School of Medicine, CWRU)

16:40-16:50 Break

16:50-17:40 Poster preview – Large Lecture Hall 206

17:40-18:30 Poster presentation – Mid Lecture Hall 207

P1-01: Hiroyasu HATAKEYAMA (Grad. School of Biomedical Engineering, TU) P1-02: Masahiro HOSOYA (Grad. School of Biomedical Engineering, TU)

P1-03: Yuto YOSHIDA (Grad. School of Information Sciences, TU)

P1-04: Ayumi YOSHIOKA (Grad. School of Information Sciences, TU) P1-05: Yuichi AOKI (Grad. School of Information Sciences, TU)

P1-06: Shu TADAKA (Grad. School of Information Sciences, TU)

P1-07: Yutaro OKANO (Grad. School of Information Sciences, TU) P1-08: Cherdsak KINGKAN (Grad. School of Information Sciences, TU)

P1-09: Kenji TAGAWA (Grad. School of Information Sciences, TU)

P1-10: Naoto IKENO (Grad. School of Information Sciences, TU) P1-11: Naho ORITA (Grad. School of Information Sciences, TU)

P1-12: Akira SASAKI (Grad. School of Information Sciences, TU)

P1-13: Yinxing LI (Grad. School of Economics and Management, TU) Pongsate TANGSENG (Grad. School of Information Sciences, TU) Turgut Yigit AKYOL (Grad. School of Life Sciences, TU)

P1-14: Mingyu LI (Grad. School of Information Sciences, TU) Md. Tanveer AHSAN (Grad. School of Life Sciences, TU)

P1-15: Tomoya MIZUMOTO (Grad. School of Information Sciences, TU)

P1-16: Masaya KARASAWA (Grad. School of Information Sciences, TU) P1-17: Xing Liu (Grad. School of Information Sciences, TU)

P1-18: Hiroto DATE (Grad. School of Information Sciences, TU)

P1-19: Hideaki WATANABE (Grad. School of Information Sciences, TU)

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P1-20: Yuya SEKI (Grad. School of Information Sciences, TU)

P1-21: Shumpei SAKUMA (Grad. School of Information Sciences, TU)

P1-22: Yuichi KAWAMOTO (Grad. School of Information Sciences, TU) P1-23: Israr Ul Haq (Graduate School of Biomedical Engineering, TU)

18:30- Reception – Shikisai (四季彩)

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August 10; Workshop on Material Science and Life Science

Location: Grad. School of Life Sciences, Tohoku University (Katahira campus), Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University (Katahira campus)

09:00- Registration – 1st Floor Meeting Room of Grad. School of Life Sciences 09:30-09:40 Opening Remarks – 1st Floor Meeting Room of Grad. School of Life Sciences

Director/Prof. Atsushi MURAMATSU (IMRAM, TU) and Professor Mark CHANCE (School of Medicine, CWRU)

Session 4: Plenary and Invited Lectures – 1st Floor Meeting Room of Grad. School of

Life Sciences

09:40-10:25 Plenary Lecture: “Data Science and Analytics to Drive Photovoltaic Reliability and Lifetime Performance” Professor Roger FRENCH (Dept. of Material Science and Engineering, CWRU)

10:25-10:35 Brief Introduction of IMRAM: Director/Prof. Atsushi MURAMATSU (IMRAM, TU)

10:35-10:45 Brief Introduction of Grad. School of Life Sciences: Dean/Prof. Atsushi HIGASHITANI (Grad. School of Life Sciences, TU)

10:45-11:00 Coffee break

11:00-11:25 Invited Lecture: “Application of Network Models for the Data-driven Design of Material Properties” Assistant Professor Jennifer CARTER (Dept. of Material Science and Engineering, CWRU)

11:25-12:10 Plenary Lecture: “Systems Biology of Phosphoprotein Signaling” Professor Mark CHANCE (School of Medicine, CWRU)

12:10-14:00 Lunch break Session 5： Parallel Sessions & Poster Session

Session 5A: Material Science and Process & System Engineering – 1st Floor Meeting Room of IMRAM (South Multidisciplinary Research Laboratory 2 Building)

14:00-14:25 Invited Lecture: “High-Temperature Processes and Measurements of Materials” Professor Hiroyuki FUKUYAMA (IMRAM, TU)

14:25-14:50 Invited Lecture: “Microstructure and mechanical properties evolution of biomedical Co-Cr-Mo alloys produced by electron beam additive manufacturing” Professor Akihiko CHIBA (Institute for Material Research, TU)

14:50-15:15 Invited Lecture: “Electrochemical and Mechanical Properties of Materials for Solid Oxide Fuel Cells: Impact on Reliability and Performance” Professor Tatsuya KAWADA (Grad. School of Environmental Studies, TU)

15:15-15:30 Coffee break

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15:30-15:50 Invited Lecture: “Size- and Shape-Controlled Inorganic Nanoparticles: Catalyst, Nano-ink, and Liquid Crystal” Associate Professor Kiyoshi KANIE (IMRAM, TU)

15:50-16:10 Invited Lecture: “Alloy design of new Co-based superalloy by CALPHAD” Associate Professor Toshihiro OMORI (Grad. School of Engineering, TU)

16:10-16:30 Invited Lecture: “Oxidation-resistant and Elastic Mesoporous Carbon with Single-layer Graphene Walls” Associate Professor Hirotomo NISHIHARA (IMRAM, TU)

16:30-16:50 Invited Lecture: “Numerical Analysis of Shearing Flow Behavior in the Melt of Centrifugal Casting using Particle Method” Associate Professor Naoya HIRATA (Grad. School of Engineering, TU)

Session 5B: Life Science and Chemical Biology – 1st Floor Meeting Room of Grad. School of

Life Sciences 14:00-14:30 Invited Lecture: “Fluorescent Probes with Molecular Targeting Property”

Professor Shin MIZUKAMI (IMRAM, TU)

14:30-15:00 Invited Lecture: “Strigolactone; a Carotenoid-derived Plant Hormone that Regulates Shoot Branching” Professor Shinjiro YAMAGUCHI (Grad. School of Life Sciences, TU)

15:00-15:20 Invited Lecture: “Nano-prodrugs as a Novel Therapeutic Agent for Cancer” Assistant Professor Yoshitaka KOSEKI (IMRAM, TU)

15:20-15:40 Coffee break

15:40-16:15 Invited Lecture: “Using transcranial magnetic stimulation (TMS) as a tool for basic neuroscience research” Associate Professor Kenichiro TSUTSUI (Grad. School of Life Sciences, TU)

16:15-16:45 Invited Lecture: “Microfluidic Operations for Sensitive Analysis” Professor Akihide HIBARA (IMRAM, TU)

17:00-18:30 Poster session – CWRU & IMRAM – 2nd Floor Foyer of South Multidisciplinary Research Laboratory 2 Building of IMRAM

Posters from Case Western Reserve University P-CWRU-01: Justin FADA (School of Engineering, CWRU)

P-CWRU-02: Ethan PICKERING (School of Engineering, CWRU)

P-CWRU-03: Arda DURMAZ (School of Medicine, CWRU) P-CWRU-04: Zachary STANFIELD (School of Medicine, CWRU)

Posters from Tohoku University P2-01: Hiroka SUGAI (IMRAM, TU)

P2-02: Yasuyuki ARAKI (IMRAM, TU)

P2-03: Mihoko UI (IMRAM, TU) P2-04: Masaki OKUMURA (IMRAM, TU)

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P2-05: Satoshi WATANABE (IMRAM, TU)

P2-06: Toshitaka MATSUI (IMRAM, TU)

P2-07: Satoshi TAKAHASHI (IMRAM, TU) P2-08: Masanori ENOKI (IMRAM, TU)

P2-09: Genichiro KATO (IMRAM, TU)

P2-10: Daisuke OKUYAMA (IMRAM, TU) P2-11: Nobuaki KIKUCHI (IMRAM, TU)

P2-12: Daisuke TOMIDA (IMRAM, TU)

P2-13: Haruki NAKASHIMA (IMRAM, TU) P2-14: Xu GAO (IMRAM, TU)

P2-15: Kizuku KUSHIMOTO (IMRAM, TU)

P2-16: Takahisa OMATA (IMRAM, TU) P2-17: Takuya YAMAGUCHI (IMRAM, TU)

P2-18: Yuanzheng ZHU (IMRAM, TU)

P2-19: Yuichi KOZAWA (IMRAM, TU) P2-20: Sawa SAKAI (IMRAM, TU)

P2-21: Daisuke AKIYAMA (IMRAM, TU)

P2-22: Masakazu YAMAZAKI (IMRAM, TU) P2-23: Atsushi MOMOSE (IMRAM, TU)

P2-24: Shivaji BACHCHE (IMRAM, TU)

P2-25: Hidekazu TAKANO (IMRAM, TU) P2-26: Hiroyuki KIMURA (IMRAM, TU)

P2-27: Akihide HIBARA (IMRAM, TU)

P2-28: Takeshi HIGUCHI (IMRAM, TU) P2-29: Rintaro SUGIMOTO (IMRAM, TU)

P2-30: Ryo KADOWAKI (IMRAM, TU)

P2-31: Yuya YOSHII (IMRAM, TU) P2-32: Yuta NAKAYASU (IMRAM, TU)

P2-33: Yoshiyuki GAMBE (IMRAM, TU)

P2-34: Yuta. KIMURA (IMRAM, TU) P2-35: Yoshinobu FUJIMAKI (IMRAM, TU)

P2-36: Hiroshi NOGAMI (IMRAM, TU)

P2-37: Kyung-Ho KIM (IMRAM, TU) P2-38: Tadashi HATANO (IMRAM, TU)

P2-39: Yohei SATO (IMRAM, TU)

P2-40: Zentaro AKASE (IMRAM, TU) P2-41: Tadahiro KOMEDA (IMRAM, TU)

P2-42: Yida LIU (IMRAM, TU)

P2-43: M. Mahbubul BASHAR (IMRAM, TU)

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P2-44: Tsunenobu ONODERA (IMRAM, TU)

P2-45: Takatoshi KASUKABE (IMRAM, TU)

P2-46: Alberto CASTRO MUNIZ (IMRAM, TU) P2-47: Yuta NAKANE (Grad. School of Engineering, TU)

P2-48: Hayato ANETAI (Grad. School of Engineering, TU)

P2-49: Norihisa HOSHINO (Grad. School of Engineering, TU) P2-50: Masaru NAKAGAWA (IMRAM, TU)

P2-51: Haruna YANO (IMRAM, TU)

P2-52: Masahiro KANNO (IMRAM, TU) P2-53: Kohei AIBA (IMRAM, TU)

P2-54: Mikihiko KOBAYASHI (IMRAM, TU)

P2-55: Yohei TAKEDA (IMRAM, TU) P2-56: Dawei WEN (IMRAM, TU)

P2-57: Masashi WATANABE (IMRAM, TU)

P2-58: Shinichi HASHIMOTO (Graduate School of Environmental Studies, TU) P2-59: Yutaka SATO (Grad. School of Engineering, TU)

P2-60: Xiao XU (Grad. School of Engineering, TU)

P2-61: Masataka KUBOUCHI (Grad. School of Engineering, TU) P2-62: Hiroki NAGAI (Grad. School of Engineering, TU)

P2-63: Jun FUKUSHIMA (Grad. School of Engineering, TU)

P2-64: Yuji SUTOU (Grad. School of Engineering, TU) P2-65: Keita KURIGAMI (Grad. School of Engineering, TU)

18:30- Get-together party

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Day 1 Tuesday, August 9

10:00 – 11:45

Session 1: Invited Talks – Large Lecture Hall 206

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Plenary Lecture Integrating Biomedical Big Data for Novel Discovery Jonathan L. Haines, PhD (jlh213@case.edu) Institute for Computational Biology, Department of Epidemiology & Biostatistics, Case Western Reserve University, Cleveland, Ohio, U.S.A. Keywords: Big Data, Electronic Health Records, Integration Extremely large and rich datasets (“Big Data”) are routinely being generated in all different areas of biomedical research. These include electronic health records of every patient seen in a hospital or cl inic, DNA sequence (Genomics) and other biomarker data (‘Omics), functional consequences of variation, imaging, the buil t and social environments, as well as many others. The amount of information residing within these datasets i s huge, but they must f irst be harmonized and l inked before they can be subject to data mining. The challenges and approaches toward developing an integrated biomedical big data resources will be described.

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Invited Lecture Circular Economy for Base Metals Recycling, Considering Resource Efficiency for “Create More with Less” Tetsuya Nagasaka, PhD (t-nagasaka@m.tohoku.ac.jp) Associate-Dean for Research and Professor, Department of Metallurgy, Graduate School of Engineering, Tohoku University Keywords: material science, circular economy, base metals recycling, econometric material flow model Base metals such as steel and aluminum are known as well-recycled materials in the view point of quanti ty, while, in the view point of quali ty, there is a r isk of contamination problem by the al loying elements in the metal products during i ts recycling. This results in the al loying elements dissipating in slag during metallurgical process and/or becoming contaminants in secondary products. For the circular economy, such a problem must be overcame to meet the policy of “Resource Efficiency” for the concept “Create More with Less”. Our research group has conducted the material f low analysis of base metals to quantify the unintentional f lows of al loying elements, i .e. , typical cri t ical metals such as chromium, nickel, manganese, molybdenum and so forth, that occur in base metals and that result from mixing during end-of-l ife (EOL) processes. The econometric material f low model has been developed by our group and appl ied to predict in detail the flows of materials in various phases, including the recycling phase by extending bulk materials, al loying element source, and scrap sectors. In the presentation, i ts application to the recycling of EOL vehicles (ELVs) in Japan will be introduced together with a brief introduction of School of Engineering, Tohoku University.

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Day 1 Tuesday, August 9

13:30 – 15:50

Session 2: Data Science and Bioinformatics

– Large Lecture Hall 206

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Invited Lecture

Exploring the Biological Nanosystems underlying Exercise-induced Health Benefits Makoto Kanzaki, PhD (kanzaki@bme.tohoku.ac.jp) Graduate School of Biomedical Engineering, Tohoku University Keywords: Type 2 Diabetes, Exercise, GLUT4, insulin, Ribosomal Profiling Understanding of precise mechanisms underlying beneficial effects of physical exercise will provide us to al low new therapeutic approaches for preventing and/or treating various l ifestyle-related diseases including type 2 diabetes, obesity, atherosclerosis, sarcopenia and cognit ive impairment/dementia. My laboratory seeks to understand supra-molecular basis (biological nanosystems) of these beneficial effects emanating from the working skeletal muscles by uti l izing various cutt ing-edge technologies including single-molecule imaging using Quantum-dot nanocrystals and “in vitro” exercise model using electric pulse st imulation. Recent our f indings and on-going endeavor in these matters will be introduced in the workshop.

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Invited Lecture Quantitative Proteomic Platform for Characterizing C. elegans Proteome Masaru Miyagi, PhD (mxm356@case.edu) Center for Proteomics and Bioinformatics, Department of Nutrition, Case Western Reserve University, Cleveland, Ohio, USA. Keywords: proteomics, isotope labeling, Caenorhabditis elegans, mass spectrometry, bioinformatics tools C. elegans is a powerful animal model in various fields of research such as aging, developmental biology, and neurobiology due to evolutionary conservation of gene function between the worm and human. Thus, i t is important to establish a robust experimental platform that is capable to characterize the proteome of C. elegans quanti tat ively. The platform we have developed is a mass spectrometry-based and uti l izes a pre-isotopically labeled amino acid as a precursor for protein synthesis. The principle of the protein quantification platform, a computational tool for analyzing the produced mass spectrometry data, and i ts application results will be presented.

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Invited Lecture

Dietary pattern and health outcomes Ryoichi Nagatomi, MD, PhD (nagatomi@med.tohoku.ac.jp) Tohoku University Graduate School of Biomedical Engineering, Heath & Sports Science Lab Keywords: cohort study, dietary history questionnaire, fall, muscle strength, non-communicable disease Diet is an essential component for supporting one’s health. Japanese diet has been recognized as one of the healthy dietary patterns contributing to reduce the risk of cardiovascular disease as well as Mediterranean diet . Breaking down dietary components into amounts of nutri t ional intake gives us a pract ical guideline to improve dietary habits. In Japan, however, there is a large diversi ty in the dietary habits. I will introduce some intriguing results from our cohort studies in which brief dietary his tory questionnaire validated for the intake of wide variety of nutri t ional components was used to detect contributions of ei ther single food i tems, dietary patterns, or est imated nutri t ional intake to various health outcomes.

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Invited Lecture

Big Data Informatics in Brain Connectivity Research: Hadoop, Semantic Web, and Provenance Metadata Satya S. Sahoo, PhD (satya.sahoo@case.edu) Department of Epidemiology and Biostatistics, Case Western Reserve University Keywords: High Performance Computing, Brain Connectivity, Biomedical Ontology, Neuroscience Big Data, Data Provenance The Brain Research through Advancing Innovative Neurotechnologies (BRAIN) init iat ive was announced by the US President to accelerate neuroscience research. However, the increasing volume of neuroscience data being generated at a rapid pace (velocity) and in a variety of modali t ies makes i t cri t ical to develop Big Data techniques for neuroscience research. As part of our research in characterizing brain connectivity in epilepsy neurological disorder, we have developed a novel epilepsy domain ontology using W3C Web Ontology Language (OWL) for integrating heterogeneous data. In addit ion, we have developed new data part i t ioning and representation model for electroencephalogram (EEG) and electrocardiograph (ECG) data using JSON format, which can be processed using Hadoop MapReduce and Apache Pig. We demonstrate the scalabil i ty of our NeuroPigPen tool to process 750GB of signal data using a 31-node Hadoop cluster. We are also developing a new provenance metadata framework for ensuring data quali ty in biomedical Big Data applications.

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Invited Lecture

Distribution of Human Single Nucleotide Variants at Protein Functional Sites and Its Relation to Minor Allele Frequency Hafumi Nishi, PhD (hnishi@ecei.tohoku.ac.jp) Graduate School of Information Sciences, Tohoku University Keywords: rare variant, non-synonymous mutation, protein-protein interface, protein-ligand interaction, 3D structure Human single nucleotide variants (SNVs) are considered as causes of various phenotypes and diseases. To understand the functional influence of genetic variants at a protein level , we investigated the relationship between SNVs and protein functional si tes in terms of minor al lele frequency and protein 3D structural posit ions of variants . The variants data were obtained from NHLBI Exome sequencing project (Exome 6500), and then mapped onto protein structures. In general , non-rare variants were less abundant at the functional si tes and those at the functional si tes were basically moderate changes of amino acids in terms of physicochemical properties possibly due to functional constraints. In contrast , rare variants showed the opposite characterist ics, reflecting the fact that rare variants result from random mutations in DNA sequences. Additionally, we have merged the variant al lele frequency information of 1,070 Japanese individuals (1KJPN) with Exome 6500 data to discuss the differences of al lele frequency of variants among populations.

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Day 1 Tuesday, August 9

16:00 – 16:50

Session 3: Students Session & Poster Preview

Short Presentation & Poster Presentation – Large Lecture Hall 206

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Short Presentation & Poster Presentation P-CWRU-01: An Open-Source Image Analysis Framework for Spatially Resolvable Data of Photovoltaics via Computer Vision Techniques Justin S. Fada, Nicholas R. Wheeler, Timothy J. Peshek, Roger H. French SDLE Research Center, Case School of Engineering, Case Western Reserve University Keywords: image processing, computer vision, data pipelining, photovoltaics Spatially resolvable image data from electroluminescent, photoluminescent, thermographic and optical camera systems allow for valuable insights into the degradation of PV modules. A data processing framework to integrate these measurement techniques is being developed using the open-source programming language Python. Using computer vision techniques to extract useful module information such as individual cell areas, cell location, and busbars, and feature information such as cracks and dark spots, quantitative metrics are obtained to provide insightful analysis. Employing object serialization via Pickle, these metrics can be called upon efficiently for large-scale analysis through use of cross-correlation models, PCA, and neural network classification.

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Short Presentation & Poster Presentation P-CWRU-02: EDIFES: Scalable Data Analytics Platform for Virtual Building Energy Audits Ethan M. Pickering, Mohammad A. Hossain, Jack Mousseau, Gabrielle Zadina, Roger H. French, Alexis Abramson Great Lakes Energy Institute & Solar Durability and Lifetime Extension Center, Case School of Engineering, Case Western Reserve University Keywords: commercial building energy efficiency, virtual energy audits, data analytics, classical time series decomposition, energy savings Buildings account for a significant share (approximately 32-40%) of global energy consumption and over 30% of this consumption is wasted. Current approaches towards building energy efficiency diagnoses include conventional energy audit techniques which are expensive, physically intrusive and time consuming. In contrast, simple data analytics such as classical time series decomposition, variance and derivative analysis of energy and meteorological data combined with domain knowledge can provide quick, inexpensive, and useful insights to building operations. Energy Diagnostics Investigator for Efficiency Savings (EDIFES) employs data analytics for virtual energy audits, determines energy savings measures, and presents an alternative to conventional energy audits.

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Short Presentation & Poster Presentation P-CWRU-03: Frequent Subgraph Mining of Personalized Signaling Pathway Networks Groups Patients with Frequently Dysregulated Disease Pathways and Predicts Prognosis Arda Durmaz1,*, Tim Henderson2,*, Douglas Brubaker1, Gurkan Bebek2,3,4,† 1Graduate Program in Systems Biology and Bioinformatics, 2Department of Electrical Engineering and Computer Science, 3Center for Proteomics and Bioinformatics, 4Department of Nutrition, Case Western Reserve University, Cleveland Ohio USA, *Co-first author; †To whom correspondence should be addressed. Motivation: Personalized medicine aims to tailor treatment options for patients based on the makeup of their diseases. In the case of cancer, the genetic makeup of tumors are characterized to identify unique tendencies and exploit vulnerabilities of these tumors. However, identifying genomic alterations and molecular signatures that better describe or classify cancer to accomplish this goal has been challenging. Large-scale genomics studies have generated comprehensive molecular characterization of numerous cancer types. Subtypes for many tumor types have been established; however, these classifications are based on molecular characteristics of a small gene set with limited power to detect dysregulation at the patient level. We hypothesize that frequent graph mining of pathways to gather pathways functionally relevant to tumors can characterize tumor types and provide opportunities for personalized therapies. Results: In this study we present an integrative omics approach to group patients based on their altered pathway characteristics and show prognostic differences within breast cancer (p<0.001) and glioblastoma multiforme (p<0.01) patients. We were able validate this approach in secondary RNA-Seq datasets (p<0.001 and p<0.05 respectively). We also performed pathway and gene enrichment analysis to further investigate the dysregulated pathways. We compared our approach with network-based classifier algorithms and showed that our unsupervised approach generates more robust and biologically relevant clustering whereas previous approaches failed to report specific functions for similar patient groups or classify patients into prognostic groups. Conclusions: These results could serve as a means to improve prognosis for future cancer patients, and to provide opportunities for improved treatment options and personalized interventions. The proposed novel graph mining approach is able to integrate protein interaction networks with gene expression in a biologically sound approach and cluster patients in to clinically distinct groups. We have utilized breast cancer and glioblastoma multiforme datasets from microarray and RNA-Seq platforms and identified disease mechanisms differentiating samples Contact: gurkan@case.edu

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Short Presentation & Poster Presentation P-CWRU-04: Drug Response Prediction as a Link Prediction Problem Zachary Stanfield1, Mustafa Coskun2, Mehmet Koyuturk1,2 1Systems Biology and Bioinformatics, School of Medicine, 2Electrical Engineering and Computer Science, Case School of Engineering, Case Western Reserve University, Cleveland, OH Keywords: link prediction, precision medicine, protein interaction networks, random walk with restart, cancer cell lines Drug response prediction is a well-studied problem in which the molecular profile of a given sample is used to predict the effect of a given drug on that sample. Effective solutions to this problem hold the key for precision medicine. Here we represent drug response data for a large cohort of cell lines as a heterogeneous network. Network profiles are calculated for cell lines and drugs. The similarity of these profiles are used to predict sensitivity or resistance for cell line-drug pairs. A second cohort is used for validation and the biological relevance of the profiles are examined.

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Day 1 Tuesday, August 9

16:50 – 18:30

Session 3: Students Session & Poster Preview

Poster preview & Poster session – Mid Lecture Hall 207

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P1-01: Multimodal Live-imaging Analysis of GLUT4 Behavior in Mouse Skeletal Muscle Hiroyasu Hatakeyama1,2, Shigenori Sekiai3, Makoto Kanzaki2,3 1Frontier Research Institute for Interdisciplinary Sciences, 2Graduate School of Biomedical Engineering, 3Department of Information and Intelligent Systems, Tohoku University Keywords: GLUT4, live-imaging, single molecule nanometry, intravital imaging, fluorescent microscopy Live-imaging with fluorescent microscopy is a powerful tool for analyzing dynamics of subcellular nanosystems. Herein, we will introduce our multimodal live-imaging analysis that can quantitatively describe intracellular behavior of the insulin-responsive glucose transporter GLUT4 in mouse skeletal muscle. Intravital imaging with multiphoton microscopy allowed observation of global GLUT4 trafficking processes including stimuli-responsive translocation. We also enabled quantification of individual GLUT4 behavior such as insulin-responsive release of static GLUT4 in single myofibers. Overall, our multimodal live-imaging analysis will open new avenues for researches on GLUT4 and exercise via high-accuracy measurement of GLUT4 behavior in mouse skeletal muscle. P1-02: Analysis of Cellular Responses Triggered by Exercise/Muscle Contraction in Skeletal Muscle using in vivo/vitro Exercise Models Masahiro Hosoya1, Shigenori Sekiai2, Hiroyasu Hatakeyama1,3, Makoto Kanzaki1,2 1Graduate School of Biomedical Engineering, 2Department of Information and Intelligent Systems, 3Frontier Research Institute for Interdisciplinary Sciences, Tohoku University Keywords: skeletal muscle, exercise, protein phosphorylation, microarray/NGS analysis The health benefits delivered by acute/chronic physical exercise are often characterized by various biological responses including phosphorylation of proteins and changes in gene expression. However, the molecular details underlying these beneficial effects of physical exercise remain unclear. We herein compared several animal/cell culture exercise models; 1) electric pulse-stimulation–mediated in vivo/vitro muscle contraction models, 2) forced- and 3) voluntary-exercise models using two types of running wheel instruments. With these models, we analyzed biochemical/physiological responses (especially involving the insulin-responsive GLUT4 glucose transporter and its regulators), as well as gene expression profiles with bioinformatics technology.

P1-03: Reduction of Light Source Noise from Optical Intrinsic Signals of Mouse Neocortex by using Independent Component Analysis Yuto Yoshida1, Daiki Nakagawa1, Akihiro Karashima2, Mitsuyuki Nakao1, Norihiro Katayama1 1Biomodeling Lab., Graduate School of Information Sciences,, Tohoku University, 2Department of Electronics and Intelligent System, Faculty of Engineering, Tohoku Institute of Technology Keywords: independent component analysis, optical intrinsic signal imaging, noise reduction Because the optical intrinsic signal (OIS) of the brain is very weak, noise reduction is essential. Independent component analysis (ICA) is widely used for noise reduction. However, the applicability of ICA to the reduction of light source (LS) noise or a determination method of the proper number of independent components (ICs) for decomposition has not been discussed in detail. In this study, we considered the applicability of ICA to LS noise reduction by modeling. In addition, we propose a method for determining the number of ICs that uses the power spectral density of LS noise. It was found that reduction of LS noise reaches 15 dB in practical cases.

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P1-04: How Does The Brain Code Seasonal Changes of Photoperiod? Ayumi Yoshioka, Norihiro Katayama, Mitsuyuki Nakao Biomodeling Lab., Graduate School of Information Sciences,, Tohoku University Keywords: suprachiasmatic nucleus, pacemaker cells, entrainment phase distribution Most of living things on the earth have circadian clock mechanisms, whereby they can survive by their adaption to the seasonal photoperiod change. In mammals, the suprachiasmatic nucleus (SCN) in the deep brain is known to be a center of circadian pacemaker cells (10,000 cells in each side). We modeled a network of pacemaker cells in SCN to simulate the photoperiod dependency of entrainment phase distributions of Per1-luc oscillation observed in the SCN slices (Inagaki et al., 2007). In addition to the successful reproduction of the photoperiod dependency of Per1-luc oscillations, we showed how deadzone length and strength of inter-pacemaker coupling differentiate the entrainment dynamics. P1-05: Impact of Evolutionary Age on Gene Co-expression Network Architecture in Arabidopsis thaliana Yuichi Aoki1, Takeshi Obayashi1, Kengo Kinoshita1,2,3 1 Graduate School of Information Sciences, Tohoku University, 2 Institute of Development, Aging and Cancer, Tohoku University, 3 Tohoku Medical Megabank Organization, Tohoku University Keywords: gene coexpression, gene network, gene age, function prediction, Arabidopsis thaliana Direct estimation of functionally related genes from genomic information is a fundamental challenge in bioinformatics. By using gene co-expression data in ATTED-II (http://atted.jp), we investigated genomic features associated with the strength of gene co-expression in model plant Arabidopsis thaliana. We found that genes having similar CDS length tend to be co-expressed strongly, and gene evolutionary age is a key factor in dictating the CDS length variation: the older genes tend to have longer CDS length. These observations suggest that the basic structure of gene co-expression network is a multilayered structure consisting of several gene modules created at each evolutionary step. P1-06: NCMine: Core-peripheral based Functional Module Detection using Near-clique Mining Shu Tadaka1, Kengo Kinoshita1,2,3 1 Graduate School of Information Sciences, Tohoku University, 2 Institute of Development, Aging and Cancer, Tohoku University, 3 Tohoku Medical Megabank Organization Keywords: biological network, protein-protein interaction, functional module detection The identification of functional modules from protein interaction networks (PINs) is an important step toward understanding the biological features of PINs. The modules detection is mainly performed by identifying densely connected subnetworks, and often produces modules with “core” and “peripheral” proteins, that is one of the keys to understand the roles of proteins in modules. We developed NCMine, which is a novel network clustering method to detect core-peripheral structure of modules, based on near-complete subgraph mining. We applied the method to human PINs, and found several examples with the core-peripheral structure of modules that may be related to cancer development.

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P1-07: Unraveling Gene Functional Association in Coexpression Network Yutaro Okano1, Takeshi Obayashi1, Kengo Kinoshita1,2,3 1 Graduate School of Information Sciences, Tohoku University, 2 Institute of Development, Aging and Cancer, Tohoku University, 3 Tohoku Medical Megabank Organization, Tohoku University Keywords: functional clustering, function prediction, gene network, gene coexpression, functional spectrum Investigating functional association of genes is important for considering the functional cooperation in the biological system. At this stage, any function isn’t annotated in some genes. Therefore, predicted functions are used by extracting significant functions of biologically-related genes in gene network. One of the traditional networks uses coexpression and this network depicts gene-to-gene relationships on transcriptome level. However, the number of predicted functions depends on quality of coexpression and any significant function isn’t predicted in some genes. To perform functional clustering, we defined gene functions using functional spectrum of coexpression. This new approach can elucidate actual functional association in coexpression. P1-08: Developing a Novel Disorder Region Predictor based on Deep Neural Network Learning Cherdsak Kingkan1, Xing Aijing2, Aji Kasmaji1, Linh Nguyen2, Surabhi Sudevan3, Huan Sun3 1Graduate School of Information Sciences, Tohoku University, 2Graduate School of Economics and Management, Tohoku University, 3Graduate School of Life Sciences, Tohoku University Keywords: disorder region prediction, deep learning, neural network, sequence analysis The protein disorder region is what consists of extremely flexible structure instead of solid structure. The region has an important role for a protein to exert its specific functions in the biological environment. So far, lots of disorder region predictors have been developed based on machine learning techniques such as neural network. Recently, ever increasing biological data and improved performance of computational source have enabled us to utilize more sensitive learning method, deep learning. In this study, we developed a novel disorder region predictor based on the deep learning technique and compared its performance to some other traditional methods. P1-09: Reliability Evaluation of a Wearable Consumer Optical Heart Rate Monitor Kenji Tagawa1, Matsuyuki Shirota1,2,3, Kengo Kinoshita1,2 1Graduate School of Information Sciences, Tohoku University, 2Tohoku Medical Megabank Organization, 3Graduate School of Medicine, Tohoku University Keywords: optical heart rate monitor, heart rate estimation reliability, photoplethysmography, activity tracker, wearable device Over the past few years, activity trackers, which measure the number of steps, energy expenditures and sleeping time in everyday life are getting popular. However, most activity trackers use an accelerometer, which measures just the acceleration value and thus is not suitable for determining relative exercise intensity. To solve this problem, some activity trackers use not only accelerometers but also optical heart rate monitors based on photoplethysmography. In this study, we evaluated reliability of an optical heart rate activity tracker (Polar A360) during various activities such as sedentary, walking, running, cycling, and free-living environment.

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P1-10: MeSHtrends: Web Application for Visualization of Trends in Biomedical Fields Naoto Ikeno, Kengo Kinoshita Kinoshita-Obayasi lab., Graduate School of Information Sciences, Tohoku University Keywords: web application, MeSH term, biomedical, big data, informatics As a strong development of biomedical research, various fields are created and subdivided. So, it is difficult to grasp the research trends in biomedical fileds. In this study, we developed the web application "MeSHtrends" for visualization of trends in biomedical fields. We aggregate tagged MeSH term in MEDLINE. It is useful information to grasp the trends in biomedical fields. By using MeSHtrends, you can track the past and most updated trends in biomedical fields, and also browse the transition chart of the MeSH terms that you are interested in. MeSHtrends can visualize the trends in biomedical fields quantitatively. P1-11: Modeling Speakers’ Choices of Referring Expressions Naho Orita Graduate School of Information Sciences, Tohoku University Keywords: cognitive science, computational psycholinguistics, discourse, speakers’ choices of referring expressions We propose a language production model that uses dynamic discourse information to account for speakers’ choices of referring expressions. Our model extends previous rational speech act models (Frank and Goodman, 2012) to more naturally distributed linguistic data, instead of assuming a controlled experimental setting. Simulations show a close match between speakers’ utterances and model predictions, indicating that speakers’ behavior can be modeled in a principled way by considering the probabilities of referents in the discourse and the information conveyed by each word. P1-12: Stance Classification by Recognizing Related Events about Targets Akira Sasaki1, Junta Mizuno2, Naoaki Okazaki1, Kentaro Inui1

1Graduate School of Information Sciences, Tohoku University, 2Data-driven Intelligent System Research Center (DIRECT) National Institute of Information and Communications Technology (NICT) Keywords: natural language processing, stance detection, sentiment analysis Recently, many people express their opinions using social networking services. Each opinion has a stance related to something such as product, service, and politics. The task of detecting a stance is known as stance detection. A popular approach for stance detection uses sentiment polarity towards a target in a text. This approach is known as targeted sentiment analysis. If a target appears in text, the detecting stance based on targeted sentiment polarity would work well. However, how can we detect stance towards an event? To solve the problem, we propose a classification method considering PRIOR-SITUATION and EFFECT.

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P1-13: Association Analysis between Social Mood States Derived from Time-series Japanese Twitter Data and Stock Market Price Yinxing Li1,*, Pongsate Tangseng2,*, Turgut Yigit Akyol3, Tsuneo Naganuma2, Wensheng Ran2, Lida Sanchez3 1Graduate School of Economics and Management, Tohoku University, 2Graduate School of Information Sciences, Tohoku University, 3Graduate School of Life Sciences, Tohoku University, *Co-first author Keywords: social mood states, tweet in Japanese, market price Twitter is an easy-to-use micro-blog system and in the modern age, it has been becoming important medium to delivery personal opinions and feelings to the world. Focusing on this point, the Twitter data will be a gold mine for various information studies. In this study, we extracted social mood states from a year time-series Japanese tweet data so that we examined a causal association between it and time-series stock market price, Nikkei225. In addition, we developed a predictor of direction of future stock market price with a machine learning method. Finally, we discussed the difference of property between Japanese and English tweet data. P1-14: A Comparison of GARCH and SV Model and Finding Indicators Mingyu Li1,*, Tanveer Ahsan2,*, Takaki Sato3, Kunchid Arayawathanawet3, Siwalee Choilek1, Gonul Dundar2 1Graduate School of Information Sciences, Tohoku University, 2Graduate School of Life Sciences, Tohoku University, 3Graduate School of Economics and Management, Tohoku University, *Co-first author Keywords: GARCH model, SV model, financial data, leading indicator Generalized autoregressive conditional heteroscedastic (GARCH) model and stochastic volatility (SV) model are used for estimating volatility which plays an important role in risk management. We applied these model into three market which are Japan, USA, and Germany. SV model has a better fit than GARCH model in those three market, but GARCH model can capture spike of volatility more accurately. Moreover, we showed existence of structural change of these markets before and after Lehman shock and proposed some indicators for prediction of volatility. P1-15: Discriminative Reranking for Grammatical Error Correction with Statistical Machine Translation Tomoya Mizumoto1,, Yuji Matsumoto2 1Graduate School of Information Science, Tohoku University, 2 Graduate School of Information Science, Nara Institute of Science and Technology Keywords: Grammatical Error Correction, Machine Translation, Reranking Research on grammatical error correction has received considerable attention. For dealing with all error types, the methods that employ statistical machine translation (SMT) have been proposed. An SMT generates candidates with scores for all candidates and selects the sentence with the highest score. However, the 1-best result of an SMT is not always the best result. Thus, we propose a reranking approach for error correction. The reranking approach is used to re-score N-best results of the SMT and reorder the results. Our experiments show that our reranking system improves performance and achieves state-of-the-art quality.

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P1-16: Learning a Boundary between Characters by CNN for Scene Text Recognition Masaya Karasawa1, Yuji Waizumi2, Kazuyuki Tanaka1 1Graduate School of Information Sciences, Tohoku University, 2College of Engineering, Nihon University Keywords: scene text recognition, convolutional neural network, character segmentation Scene text recognition is a practical application but still a challenging task due to complex backgrounds, font variations and so on. To improve the recognition accuracy, we propose a detecting method of a character boundary based on its shape. Although there are many studies on character segmentation in a word, there’s no system considering the boundary shape between characters. By detecting a boundary between two characters based on its shape, contiguous characters can be segmented, and recognizing a combination of two characters can revise recognition error by the lexical nature of the combination. We use Convolutional Neural Network (CNN) to build boundary classifier. We show some numerical results of our method using ICDAR 2003 datasets. P1-17: Visual Recognition of Material and Its Perceptual Quality of Objects based on Deep Learning Xing Liu, Takayuki Okatani Computer Vision lab., Graduate School of Information Sciences, Tohoku University Keywords: material perceptions, image analysis, convolutional neural network In this work we study the problem of recognizing material (e.g. metal, water, etc.) of an object from its single image by utilizing convolutional neural networks (CNNs). Our proposed method achieves a state-of-the-art performance (84%) on a benchmark material recognition dataset (FMD) and which is close to the reported human performance (84.9%). Additionally, in order to analyze the material semantic attributes (e.g. transparent, coldness, etc.) of the object in the given image, we propose a system which quantifies and visually interprets those material semantic attributes. The result we obtained shows a high consistency with human material perceptions. P1-18: Complementary Visual Representations by Low- and High-frequency Responses in Primate Higher Visual Cortex Hiroto Date1,2, Keisuke Kawasaki2, Mete Ozay1, Takayuki Okatani1 1Graduate School of Information Sciences, Tohoku University, 2Graduate School of Medical and Dental Sciences, Niigata University Keywords: vision, visual cortex, visual object recognition, deep learning, electrocorticography(ECoG) In primate visual cortex, neural activities in specific frequency bands appear to subserve feedforward or feedback processing. However, it has been unclear what kind of visual information such frequency-specific activities represent. We analyzed the issue by an encoding approach that predict frequency-specific neural activities from diverse image features from deep convolutional neural networks. Our results indicate that low- and high-frequency responses in primate higher visual cortex have complementary visual representations in terms of time and selectivity.

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P1-19: Sparse Representation of Bases for Robust Face Recognition Hideaki Watanabe1, Yuji Waizumi2, Kazuyuki Tanaka1 1Graduate School of Information Sciences, Tohoku University, 2Graduate School of Engineering , Nihon University Keywords: face recognition, sparse representation, dictionary learning, geometrical bases Recognizing human faces from camera images with noise by computer is a challenging problem for application to crime prevention system. To deal with this problem, “Sparse Representation based Classification (SRC)”, in which face and noise region of recognition object are represented by a linear combination of face images in database and standard bases respectively. However, if the noise region was large, recognition accuracy would be poor. To improve recognition accuracy, we proposed to use another bases obtained by dictionary learning or consist of any geometrical regions to reconstruct noise region. In numerical experiments, we demonstrated that our proposed methods can achieve higher recognition accuracy than existing method. P1-20: Avoiding Problematic Quantum First-order Phase Transitions in Quantum Annealing Yuya Seki1,2 1Graduate School of Information Sciences, Tohoku University, 2CREST, JST (Tohoku University) Keywords: quantum algorithm, quantum annealing, combinatorial optimization problem Quantum annealing (QA) is a quantum computation model to solve combinatorial optimization problems. Although some advantages of QA over existing algorithms have been reported, QA still has a difficulty of exponentially long running time to solve certain problems. In order to circumvent the difficulty, we extend QA such that QA avoids problematic first-order quantum phase transitions. We have shown that the problematic first-order phase transitions can be avoided by inducing antiferromagnetic transverse interactions in addition to the conventional transverse-field term in a simple problem and a more complex problem. P1-21: Efficient Implementation for Some Extensions of Compression by Substring Enumeration Shumpei Sakuma, Kazuyuki Narisawa, Ayumi Shinohara Graduate School of Information Sciences, Tohoku University, Japan Keywords: Data compression, Compression via Substring Enumeration, Burrows-Wheeler Transform Compression via Substring Enumeration (CSE) is a lossless data compression scheme. CSE compresses a target binary string by enumerating substrings occurred in it, and encodes the numbers of occurrences effectively, by calculating its upper-bound and lower-bound based on the previous numbers. Two extensions for CSE (1) to deal with the explicit phase awareness for byte-oriented source, and (2) to treat multiple characters for a finite alphabet source are considered. We show simple and efficient implementations for the extensions of CSE to count the numbers of substrings occurrences appeared in the target string.

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P1-22: An Efficient Traffic Detouring Method by Using Device-to-Device Communication Technologies in Heterogeneous Network Yuichi Kawamoto, Hiroki Nishiyama, Nei Kato Graduate School of Information Sciences, Tohoku University Keywords: Communication networks, Device-to-Device (D2D), HETerogeneous NETworks (HETNET) Recently, HETNET arises as a promising network technique to manage a large number of mobile devices. By using the networks having different coverage size in the HETNET, it enables to increase the network capacity drastically. However, sometimes variations in user distribution causes inhomogeneous traffic load among the networks having different coverage size in the HETNET. On the other hand, D2D communication technologies have attracted much attention as another solution to increase the network capacity. The direct communication between user devices creates flexible networks. Thus, we focus on utilizing D2D communication technologies in HETNET to avoid the inhomogeneous load among the networks having different coverage size. In this research, a traffic detouring method is proposed and the advantage of the proposed method is analyzed with some mathematical expressions. P1-23: Denoising and Reconstruction of Vasculature in Optical Resolution Photoacoustic Microscopy Imaging Israr Ul Haq, Ryo Nagaoka, Syahril Siregar, Yoshifumi Saijo

Graduate School of Biomedical Engineering, Tohoku University Keywords: Vascular reconstruction, Photoacoustic denoising, Wavelet filtering Photoacoustic microscopy is a high-resolution and high- contrast functional modality where optical absorption is detected by ultrasonic transducer. The noise generated by the detector due to its size, sensitivity make the photoacoustic images difficult to visualize. Denoising and reconstruction of vascular structures is crucial for the early diagnosis and therapy in many medical applications. Therefore, the accurate detection of blood vessels has a great significance to assist the users including radiologists and clinicians by making them visualization of the vascular information in the images. In the proposed method use of wavelet filtering to enhance the effect of smaller and bigger vessels in Optical Resolution Photoacoustic Microscopy (OR-PAM) is analyzed. The proposed method uses the wavelet to enhance the vasculature and then hessian based method is applied to classify the vessel-like structures. For the evaluation, the algorithm is tested on photoacoustic images acquired non-invasively from living mouse brain, human finger cuticle and blood filled tube which shows appreciable results to enhance vasculature in photo-acoustic imaging.

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Day 2 Wednesday, August 10

9:40 – 12:10

Session 4: Plenary and Invited Lectures – 1st Floor Meeting Room of Grad.

School of Life Sciences

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Plenary Lecture

Data Science and Analytics to Drive Photovoltaic Reliability and Lifetime Performance Roger H. French, PhD (roger.french@case.edu) SDLE Research Center, Materials Science, Case School of Engineering, Case Western Reserve University Keywords: Photovoltaics, Degradation Science, Machine Learning, Network Modeling Degradation science1 combines materials science and data science approaches to examine degradation pathways in photovoltaic power systems to improve materials and improve l ifet ime performance. Degradation of PV modules involves events over long t ime-frames and requires cross-correlation of real-world studies with accelerated in-lab studies. While machine learning temporal analytics of t ime-series datastreams of PV power plants i l lustrates the real -world responses of PV modules and systems. These kind of un-biased, data-dr iven analytics, now possible using data science methodologies , represents a new frontier in our scientif ic studies of complex energy systems. [1] French, R. H. et . a l , 2015, COSSMS, Doi: 10.1016/j .cossms.2014.12.008

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Invited Lecture

Application of Network Models for the Data-driven Design of Material Properties Jennifer L.W. Carter, PhD (jwc137@case.edu) Department of Materials Science and Engineering, Case School of Engineering, Case Western Reserve University Keywords: network modeling, materials design, aluminum alloys The materials design process is a multi -cri teria, multi -dimensional, optimization problem. A domain-guided network model that employs a stat ist ical framework was applied to study correlations between experimental measures of performance and microstructure evolution in a composite aluminum alloy. This unique material has a diffuse gradient in composit ion through the plate thickness from a stronger, part icle-strengthened aluminum alloy to a softer, s train-hardenable aluminum alloy. This diffuse gradient provides an opportunity to explore the multi -dimensional optimization of performance due to gradients in composit ion, grain size, and texture . This presentation focuses on the development of models from metrics of composit ion (XEDS) and performance (micro-hardness).

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Plenary Lecture

Systems Biology of Phosphoprotein Signaling Mark R. Chance, PhD (mrc16@case.edu) Center for Proteomics and Bioinformatics and Department of Nutrition, School of Medicine, Case Western Reserve University Keywords: phosphoproteomics, cell singaling Phosphorylation is an important cellular signaling process under t ight control during biological development. This signaling is r igorously controlled by the complementary actions of protein kinases and protein phosphatases, which are important targets for many approved drugs as well as novel therapies under development. Mass spectrometry is a proven method to provide high-throughput analysis of phosphoproteome states and dynamics. Such information on a global scale provides unique insights into cel lular signaling in development and differentiat ion, which can considerably advance our understanding of biology and disease. Although technologies for collecting phosphoproteomics data using mass spectrometry are advancing rapidly, computational tools for analyzing the data are not keeping pace. The management and annotation of information on thousands of phosphosites must be automated and analyzed using advanced analysis and visualization tools specific to the individual si tes of phosphorylation and their interactions with phosphatases and kinases. In this talk we will i l lustrate the power of phosphoproteomics data, including t ime course experiments , to drive drug development in cancer research. In addit ion, we outl ine the development and application of tools to interrogate and integrate phosphoproteomics data and provide a deeper understanding of the biology of cel l signaling.

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Day 2 Wednesday, August 10

14:00 – 16:50

Session 5A: Material Science and Process & System Engineering – 1st Floor Meeting Room of

South Multidisciplinary Research Laboratory 2 Building of IMRAM

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Invited Lecture

High-Temperature Processes and Measurements of Materials Hiroyuki Fukuyama, PhD (fukuyama@tagen.tohoku.ac.jp) Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: thermodynamics, crystal growth, thermophysical properties of high-temperature melts Currently, we are developing AlN crystal growth processes such as l iquid phase epitaxy, vapor phase epitaxy and DC pulsed sputtering to bring a breakthrough in nitr ide-semiconductor devices. AlN is a promising material for next-generation optical devices applied in environmental , medical, bio and information technologies fields. The thermophysical property measurement system has been also developed in our lab, which enables accurate measurements of heat capacity, thermal conductivity, emissivity, density and surface tension of high-temperature melts, ut i l izing electromagnetic levita t ion in a dc magnetic f ield. The thermophysical properties are required for various material processing such as casting, welding, crystal growth and 3D printing fields.

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Invited Lecture

Microstructure and mechanical properties evolution of biomedical Co-Cr-Mo alloys produced by electron beam additive manufacturing Akihiko Chiba, PhD (a.chiba@imr.tohoku.ac.jp) Institute for Materials Research Tohoku University Japan Keywords: additive manufacturing, electron beam melting, biomedical Co-Cr-Mo alloys Recently, electron beam melting (EBM) has become an established addit ive manufacturing technology to produce any three-dimensional (3D) complex structures from precursor powders of advanced metal al loys. The purpose of this work is to clarify the effect of EBM process on phase distribution of biomedical Co-Cr-Mo (CCM) alloy and to examine how the fatigue property of i t can be improved by post –buil t heat treatments. In addit ion, the const i tuent phase variat ion along the build height will be investigated because the post-buil t heating process may change the consti tuent phase. The samples were fabricated on an Arcam A2 EBM system. The powder used in the experiment consisted of spherical part icles and attached small satell i te part icles, with an average part icle s ize of 64 μm. The chemical composit ion of the Co–28Cr–6Mo–0.23C–0.2N alloy powder was within the range of ASTM F75 standards. Higher carbon and nitrogen contents are known to provide a large amount of precipitates and stabil ize γ -phase. The cylindrical samples of Co–28Cr–6Mo–0.23C–0.2N alloy rods were fabricated along the building direction. The rods were 18 mm in diameter, and 160 mm in height. A series of isothermal heat treatment from 750 ˚C to 1000 ˚C were carried out on the as-buil t samples to refine the microstructure consist ing of γ -fcc. The microstructures at the middle posit ion (80 mm from the bottom) of the sample rod were investigated by scanning electron microscopy (SEM), EBSD, and X-ray diffraction (XRD) on the longitudinal cross section consist ing of the cylinder and z axes. The tensile and fatigue tests were conducted using the specimens cut from the middle posit ion of the rod samples. It was revealed that building horizontal posit ion of the rod samples affects the phase distribution. During the EBM process of CCM alloy, build parts experiences different thermal histories and have different microst ructures depending not only on their height but also their posit ion in building space. Three types of heat treatments were conducted. ε or γ phased heat treatments can homogenize and refine the microstructure of EBM built CCM alloy. Low cycle fatigue tests were conducted. It was found that these heat treatments can improve the fatigue l ife by suppressing the formation of sharp surface relief .

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Invited Lecture

Electrochemical and Mechanical Properties of Materials for Solid Oxide Fuel Cells: Impact on Reliability and Performance Tatsuya Kawada, PhD (kawada@ee.mech.tohoku.ac.jp) Graduate School of Environmental Studies, Tohoku University Keywords: Solid Oxide Fuel Cell, Reliability, Electrode, Defect Chemistry, Mechanical Property For wider application of solid oxide fuel cells, rel iabil i ty, durabil i ty, and efficiency should be improved at a low cost . Tohoku University is entrusted with projects supported by NEDO and by JST-CREST, to develop technological basis for long-term reliabil i ty of the cells and stacks, and to design optimal electrode structure and materials. Defect chemistry of oxides and thermo-chemo-mechanical behaviors of the materials have been widely studied. Modeling method of oxygen potential distr ibution was developed to evaluate the impact of chemical strain on the reliabil i ty. Direct and indirect measurement methods have been developed for evaluation of microscopic and macroscopic behaviors of SOFCs under operation.

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Invited Lecture

Size- and Shape-Controlled Inorganic Nanoparticles: Catalyst, Nano-ink, and Liquid Crystal Kiyoshi Kanie, PhD (kanie@tagen.tohoku.ac.jp) Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: Monodispersed particle, Nanoparticle, Size Control, Shape Control, Liquid Crystal Uti l ization of inorganic nanoparticles have attracted great deals of at tention in material science. Liquid-phase synthesis is one of the most powerful tools so as to prepare the size- and shape-controlled inorganic part icles with a specific crystal plane. Up to date, we have investigated to prepare well defined inorganic nanoparticles precisely controlled in size and shape such as α-Fe2O3, TiO2, SrTiO3, Sn-doped In2O3, Bi0 . 5Na0 . 5TiO3, BaZrO3, NaNbO3, and K0 . 5N0 . 5NbO3 with precursor gel as an intermediate under highly concentrated hydrothermal condit ions. Our research interests are applying these funct ional nanoparticles to develop high-performance catalysts, transparent conductive oxide nano-inks, and organic-inorganic hybrid l iquid crystals.

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Invited Lecture

Alloy Design of New Co-based Superalloy by CALPHAD Toshihiro Omori, PhD (omori@material.tohoku.ac.jp) Department of Metallurgy, Graduate School of Engineering, Tohoku University Keywords: Cobalt alloy, superalloy, heat resistant material, CALPHAD, phase diagram The development of superalloys have been driven by the demand to increase the operating temperatures result ing in an increased thermal efficiency in aircraft engines and power generation systems. We have discovered the ternary Co3(Al,W) intermetall ic compound with a geometrically closed-packed L12 s tructure in 2006, which opens a pathway for development of a new class of superalloys. Since a phase diagram is the most important source of information for al loy design, we experimentally determined the phase equil ibria in the Co-based binary and ternary systems. Based on the results, the thermodynamic assessment was performed by the CALPHAD (calculation of phase diagrams) method, which consists of optimization of parameters in a model that describes thermodynamic properties . The assessment al lows development of a thermodynamic database for calculation of phase diagram enabling the extrapolation from binary and ternary systems to higher systems. Up to now, we can calculate the phase diagrams of the Co-Al-W-Ni-Cr systems. New Co-based superalloys were designed by the calculation of phase diagram using the constructed database, and an excellent high-temperature strength was obtained.

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Invited Lecture

Oxidation-resistant and Elastic Mesoporous Carbon with Single-layer Graphene Walls Hirotomo Nishihara, PhD (nisihara@tagen.tohoku.ac.jp) Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: graphene; mesoporous carbons; supercapacitors; elastic materials; flexible frameworks Oxidation-resistant and elastic mesoporous carbon consist ing of single-layer graphene walls has been prepared. The unique framework realizes a large surface area and minimal number of edge si tes, thereby making the material promising for the application of electric double-layer capacitors. Moreover, the sponge-like framework gives this carbon an ultra-high elastici ty and mechanical toughness , al lowing reversible pore-size control over a wide range (0.7–5.8 nm) by simply applying a mechanical force, which enables in si tu adsorption control .

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Invited Lecture

Numerical Analysis of Shearing Flow Behavior in the Melt of Centrifugal Casting using Particle Method Naoya Hirata, PhD (hirata@material.tohoku.ac.jp) Department of Metallurgy, Graduate School of Engineering, Tohoku University Keywords: centrifugal casting, shearing flow, spectral analysis, particle method It is known that a formation of band defects in products manufactured by centrifugal casting process is strongly influenced by shearing flow behavior in l iquid-solid coexist ing regions of metals. We tried to observe the shearing flow behavior in the vicinity of solidification front in the centrifugal casting process by using flow and solidification simulations based on a part icle method. The shearing flow behavior was hard to evaluate f rom the information of velocity directly, however i t is well evaluated by spectral analysis of the velocity gradient around the sol idification front. As a result , i t was found that the shearing flow behavior is strongly influenced by the fluctuation of free surface and the apparent viscosity of f luid phase.

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Day 2 Wednesday, August 10

14:00 – 16:45

Session 5B: Life Science and Chemical Biology

– 1st Floor Meeting Room of Grad. School of Life Sciences

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Invited Lecture

Fluorescent Probes with Molecular Targeting Property Shin Mizukami, PhD (s-mizu@tagen.tohoku.ac.jp) Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: fluorescent probe, bioimaging, targeting Fluorescent probes led to lots of new discoveries in medical and biological sciences . Recently, more sophist icated fluorescent probes that have dual properties, sensing and targeting, have attracted increasing attention. We developed several f luorescent probes with targeting property. As the target ing strategy, we chose the uti l ization of selective accumulation property of a cl inical medicine and a pair of a protein tag and i ts specific l igand. Former probes achieved successful t issue targeting and visualization of a biological phenomenon in l iving animals. Latter probes achieved specific subcellular localization and showed the general applicabi l i ty in l ive cell studies.

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Invited Lecture

Strigolactone; a Carotenoid-derived Plant Hormone that Regulates Shoot Branching Shinjiro Yamaguchi, PhD (shinjiro@m.tohoku.ac.jp) Graduate School of Life Sciences, Tohoku University Keywords: plant hormone, biosynthesis, receptor Strigolactones (SLs), a group of terpenoid lactones, were first discovered in root exudates as germination st imulants of root parasit ic plants. Later, they were shown to have a function in symbiotic interaction with arbuscular mycorrhizal fungi, which facil i tate the uptake of inorganic nutrients by plants. We have previously shown that SLs act as hormones or their biosynthetic precursors that regulate shoot branching. Increased shoot branching mutants that are SL-deficient or SL-insensit ive have been powerful in elucidating key components in the SL biosynthesis and signaling pathways. We have been characterizing the biochemical functions of these genetically identified components to understand the SL biosynthesis and signaling pathways.

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Invited Lecture

Nano-prodrugs as a Novel Therapeutic Agent for Cancer Yoshitaka Koseki, PhD (ykoseki@tagen.tohoku.ac.jp) and Hitoshi Kasai, PhD (hkasai@tagen.tohoku.ac.jp) Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University Keywords: nano-prodrugs, drug delivery system, reprecipitation method Nanometer-sized drugs, nanodrugs, have been received considerable at tention for their potential application as a therapeutic agent for cancer, due to their tumor targeting efficacy. Various types of nanocarriers have been proposed to fabricate nanodrugs. The introduction of drug into nanocarriers, however, would cause several problems, such as low drug loading, side effects by nanocarriers themselves, and so on. In order to solve these problems, we have put forward nano-prodrugs, which are composed of prodrug molecules without using nanocarriers as a novel designed nanodrugs. We will introduce fabrication of nano-prodrugs by using the reprecipitat ion method and evaluation of their anti tumor activit ies.

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Invited Lecture

Using Transcranial Magnetic Stimulation (TMS) as a Tool for Basic Neuroscience Research Ken-Ichiro Tsutsui, PhD (ki.tsutsui@gmail.com) Laboratory of Systems Neuroscience, Tohoku University Graduate School of Life Sciences Keywords: transcranial magnetic stimulation Here we report our recent studies that applied repeti t ive TMS (rTMS) to monkeys to examine the role of the prefrontal cortex in cognit ive and emotional/motivational controls. By suppressing the dorsolateral part of the prefrontal cortex (dlPFC) by low-frequency rTMS, monkeys exhibited diff icult ies in performing delayed response, the standard task for visuospatial working memory in monkeys. On the other hand, by suppressing the medial part of the prefrontal cortex (mPFC) by low-frequency rTMS, monkeys exhibited some symptoms that may have caused by the downregulation of mood and motivation.

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Invited Lecture

Microfluidic Operations for Sensitive Analysis Akihide Hibara, PhD (hibara@tagen.tohoku.ac.jp) Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: microfluidics, analytical chemistry, liquid phase Recent advancements of micro/nanofluidic technology enable integration of analytical procedures into a microchip. Among various micro/nanofluidic technologies, microfluidic droplet f lows are often uti l ized to encapsulate sample / reagent(s) / reaction product(s) into a single droplet . For bioanlysis, aqueous droplets in organic continuous phase are used. In this presentation, a selective enrichment method of analyte [1] will be introduced, where spontaneous emulsification is uti l ized in order to control part i t ion / enrichment of compounds encapsulated in a microdroplet . I will explain the conception of the method first , and demonstrate some applications of the method, such as f luorescent bioassay1 and protein crystall ization2. [1] Analytical Chemistry, 87(7) 3562-3565 (2015). [2] Analytical Methods, 7(17) 7128-7131 (2015).

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Day 2 Wednesday, August 10

17:00 – 18:30

Poster Session – 2nd Floor Foyer of

South Multidisciplinary Research Laboratory 2 Building of IMRAM

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P2-01: Efficient Intracellular Delivery of Peptide Ribonucleic Acids with Arginine Residues

Hiroka Sugai,1 Ikuhiko Nakase,2 Seiji Sakamoto,1 Yasuyuki Araki,1 Takehiko Wada1,* 1 Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577, Japan, 2 Nanoscience and Nanotechnology Research Center Research Organization for the 21st Century, Osaka Prefecture University, 1-2 Gakuen-cho, Naka-ku, Sakai-shi, 599-8570, Japan Keywords: Oligonucleotide Therapeutics; Artificial Nucleic Acid; Arginine; Cellular Uptake Ability We have reported a novel artificial nucleic acid named peptide ribonucleic acids (PRNA) as a promising candidate for hypoxia specific oligonucleotide therapeutics. Here in order to improve cellular uptake of PRNA, we designed PRNAs possessing arginine (Arg) residues (PRNA-Arg). Cellular uptake studies indicated that the number of Arg residues introduced into PRNAs significantly affected upon cellular uptake and aggregation properties. PRNAs possessing the optimum number of Arg residues showed efficient uptake without cytotoxicity. The appropriately designed PRNA-Arg could be a hopeful candidate as an effective therapeutic oligonucleotide. P2-02: Dissociation and Association Dynamics Triggered by Laser Irradiation in γ-cyclodextrin Encapsulated Methyl Orange Dimer Complex Makoto Kuronuma, Yasuyuki Araki, Seiji Sakamoto, Takehiko Wada Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577, Japan, Keywords: Cyclodextrin encapsulated complex; Photochemistry; Methyl orange; Photo-excited state Photochemistry of methyl orange (MO) encapsulated by cyclodextrins were well-studied by the ultrafast spectroscopy and revealed that the spatial restriction of MO by the cyclodextrin cavity made poor photochemistry, lack of trans-cis isomerization. However, we recently discovered that dissociation and association dynamics of MO from cyclodextrin cavity triggered by laser irradiation were observed in µs~ms timescale. We concluded this system could give a new methodology of photo triggered reversible supramolecular function. Moreover, we have developed circular dichroism (CD) spectroscopy with high sensitivity without limitation of time resolution. In this work, we applied this methodology to reveal the MO dissociation and association dynamics in µs~ms timescale.

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P2-03: Construction of Photoresponsive Material based on the Junctional Photoreceptor Bridging Hydrophilic Copolymer Mihoko Ui1, Yusuke Miyauchi1, Makoto Murakami1, Kazushi Kinbara2, Takehiko Wada1 1 IMRAM,Tohoku Univ. , 2 Tokyo Institute of Technology Keywords: photoreceptor, photoactive yellow protein, photo-regulation, photoresponsive material Photoactive Yellow Protein (PYP) is a bacterial photoreceptor bearing p-coumaric acid chromophore linked covalently to Cys69 via a thioester bond. The chromophore undergoes trans-to-cis photoisomerization by blue light, which causes unfolding of the higher-order structure of PYP, followed by thermal cis-to-trans isomerization to recover the initial trans configuration. PYP has a potential for application as a photoresponsive module due to its remarkable structural change caused by light irradiation. Here, we tried to construct a photoresponsive material composed of the engineered PYP that works as a junction of hydrophilic copolymer. The engineered PYP showed photoreactivity based on spectroscopic studies. By viscoelastic analyses, it was proven that the conjugate changed its property upon blue light irradiation. We will report the preparation and characteristics of the material in detail. P2-04: Dynamic Assembly/disassembly of Protein Disulfide Isomerase during the Catalysis of Oxidative Protein Folding Masaki Okumura1, Kentaro Noi2,5, Shingo Kanemura1, Takaaki Hikima3, Shuji Akiyama3,4, Teru Ogura2,5, Kenji Inaba1,5 Affiliation(s) 1Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Japan, 2Institute of Molecular Embryology and Genetics, Kumamoto University, Japan, 3RIKEN, SPring8 Center, Japan, 4Institute for Molecular Science, Japan, 5CREST, JST Keywords: endoplasmic reticulum, oxidative folding, protein disulfide isomerase, high-speed AFM Protein disulfide isomerase (PDI) is the most versatile catalyst of oxidative protein folding, which has research history of more than 50 years. Whereas a number of scientists have so far studied on structures, redox properties and physiological functions of this enzyme, nobody has succeeded in direct observation for actions of PDI engaged in the catalysis of oxidative protein folding. In this work, we clarified dynamic assembly/disassembly of PDI molecules that act on unfolded substrates, at the single molecule level using high-speed Atomic Force Microscopy (HS-AFM). The HS-AFM analysis revealed that oxidized form of PDI is in rapid equilibrium between closed and open conformations whereas the reduced form holds a closed conformation persistently. The redox-regulated conformational changes may be beneficial for the efficient capture and disulfide introduction/isomerization of various substrates of different shapes, sizes, and numbers of disulfide bonds. Intriguingly, PDI assembles to a dimer or a trimer when constitutively unfolded substrates with maleimide-blocked cysteines are added. In case that foldable substrates containing free cysteines are added, PDI exhibits repeated cycles of association to a dimer and subsequent dissociation to a monomer. Fine AFM images of the PDI dimer further demonstrated that two PDI molecules associate with each other face-to-face, creating a central hydrophobic cavity with multiple redox-active sites to accommodate substrates. We conclude that PDI molecules assemble in a substrate-dependent manner during its catalytic cycle of oxidative protein folding, providing a platform suitable for yielding multiple-disulfide containing proteins with high efficiency.

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P2-05: Structural basis of pH- and Zinc-dependent Protein Quality Control by ERp44 Satoshi Watanabe1, Manami Harayama1, Yuta Amagai1, Sara Sannino1, Shoji Masui1, Roberto Sitia2, Kenji Inaba1 1Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Japan, 2Divisions of Genetics and Cell Biology IRCCS Ospedale San Raffaele, Italy Keywords: X-ray crystal structure, protein quality control, ERp44, a member of the PDI family, is involved in the retrograde transport of immaturely oligomerized secretory proteins and several ER-resident enzymes from the Golgi to the ER, ensuring the stringent protein quality in the early secretory pathway. ERp44 recognizes its client proteins in a pH dependent manner, though the molecular details are not fully understood. To elucidate molecular mechanisms of the pH-dependent regulation of ERp44, we determined crystal structures of ERp44 in neutral and weakly acidic conditions at 2.00 and 2.05Å resolution, respectively. The structures revealed that ERp44 undergoes pH-dependent domain movements and local helix unwinding, leading to significant changes in charge distribution on the molecular surface and the C-terminal tail dynamics. Interestingly, three histidines highly conserved among ERp44 homologues adopt a basket-like configuration, which appears to be suitable for metal ion binding. Indeed, our biochemical and biophysical analyses demonstrated that ERp44 binds Zn ion (Zn2+) specifically and tightly. Next, we investigated whether Zn2+ binding affects the structure and function of ERp44. Isothermal titration calorimetry experiments showed that ERp44 binds Zn2+ with nanomolar affinity. Zn2+ chelation by TPEN caused secretion of several ERp44-client proteins as well as ERp44 itself. These results indicate that Zn2+ is key to structural and functional regulation of ERp44. Furthermore, we determined crystal structure of the Zn2+-bound form of ERp44 at 2.5Å resolution. The structure revealed a Zn-dependent homo-dimerization of ERp44, in which five Zn2+ ions are aligned at the dimer interface. Zn2+ binding to the conserved histidine residues induces remarkable conformational changes of the C-terminal tail, leading to significant domain movements and exposure of the client-binding site in ERp44. These results provide a novel framework for the pH and Zn dependent protein quality control exerted by ERp44. P2-06: Unique Reaction Products of IsdG-type Heme-degrading Enzymes Toshitaka Matsui, Shusuke Nambu, Yukari Ono, Masao Ikeda-Saito Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: heme catabolism, reaction mechanism, oxidation enzyme, formaldehyde, carbon monoxide Biological heme degradation had been supposed to proceed through the one and only mechanism, however, a novel family of heme-degrading enzymes has been identified recently from Staphylococcus aureus. Structures of IsdG and its paralogue, IsdI, are quite unique to bind the substrate heme in a highly distorted conformation, best described as ruffled, in contrast to the flat heme in HO. This heme ruffling is expected to modulate the O2 activation chemistry on the heme molecule, and in fact, a novel tetrapyrrole, staphylobilin, having an additional oxidation at a meso carbon is produced. In this study, we have analyzed heme catabolites, namely C1 products, of IsdG and IsdI to reveal their mechanistic peculiarity.

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P2-07: Dynamics of Protein Folding Studied by Single Molecule Fluorescence Measurements at Microsecond Resolution Satoshi Takahashi, Masataka Saito, Kiyoto Kamagata, Hiroyuki Oikawa

Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: Single molecule fluorescence spectroscopy, Protein folding Single molecule fluorescence spectroscopy (SMFS) is a powerful technique for the investigation of protein folding dynamics. We developed a line-confocal microscope, which enables us to obtain the time resolution of 20 microsecond and the observation time of a few milliseconds for SMFS. We used the developed system for the investigation of the folding process of the B domain of protein A and ubiquitin. The data suggested that the denatured states of both proteins are heterogeneous and that the dynamics within the unfolded state occurs rather slowly in the time domain longer than several milliseconds. The line confocal detection of SMFS will become a powerful tool to understand the mechanism of protein folding and other dynamics as an experimental counterpart of molecular dynamics calculations. P2-08: Thermodynamic Analysis of Fe-Ni System using Compound Energy Formalism and DFT calculations M. Enoki 1, 5, A. Watanabe 2, B. Sundman 3, M.H.F. Sluiter 4, H. Ohtani 1, 5 1IMRAM, Tohoku University, 2Graduate School of Engineering, Tohoku University, 3INSTN, CEA Saclay, 4DTU Delft, 5JST-CREST Keywords: DFT calculations, Thermodynamic, CALPHAD Analysis with multi-sublattices, such as 4- and/or 8-sublattices, is complicate to determine all of thermodynamics parameters for the end-members defined in Compound Energy Formalism (CEF). To overcome the problem, an attempt was made to introduce formation energies obtained from density functional theory (DFT) calculation into CEF with 4-sublattices and calculate equilibria of the fcc phase in the Fe-Ni binary system. P2-09: Morphology and Thermal Stability of FeNi-hydroxide Synthesized by Polyol Process G. Kato, S. Fujieda, K. Shinoda, S. Suzuki Institute of Multidisciplinary Research for Advance Materials, Tohoku University Keywords: Hydorotalcite-like materials, structure analysis, self-reduction The polyol process is used for synthesizing particles of metals, oxides and hydroxides. The hydroxides often exhibit the hydrotalcite-like structure (HTL), and particles with FeNi-HTL are known to reveal unique properties such as ion exchange ability. In this study, the structure and morphology of the particles prepared by a polyol process were investigated. TEM observation showed that as-synthesized FeNi-HTL particles were plate-like and aggregated, and they were delaminated by exposure to air. The results of TG-DTA in helium gas showed that the FeNi-HTL particles were decomposed into different oxides by annealing up to 305℃, and they were further decomposed into spinel-structure oxide and FCC metal particles by annealing over 420℃.

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P2-10: Study of Rare-earth Chiral Magnet Pr5Ru3Al2 Daisuke Okuyama1, Koya Makino1, Maxim Avdeev2, Taku J. Sato1 1IMRAM, Tohoku University, 2Bragg Institute, ANSTO Keywords: chiral magnet, rare-earth, neutron scattering A chiral magnetism in noncentrosymmetric materials has been extensively studied because it is predicted that a magnetic ordering with an interesting soliton-structure carrying a topological quantum number may take place in such materials. Recently, we found noncentrosymmetric rare-earth ternary compound Pr5Ru3Al2 exhibits magnetic phase transition at low temperature TC ~ 4 K. From the neutron powder diffraction experiment below magnetic ordered temperature, Pr5Ru3Al2 shows helical magnetic structure. In this poster, we will show the detailed results of the powder neutron experiment and the peculiar magnetic phase diagram in Pr5Ru3Al2. P2-11: Magnetism and Dynamics of Single Magnetic Dot Nobuaki Kikuchi, Satoshi Okamoto, Osamu Kitakami Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: magnetic dynamics, magnetic dot, quasi-ballistic switching, microwave-assisted switching For advances in future magnetic and spin electronic devices, it is essential to understand the magnetic behaviour and dynamics of a single nanomagnet. However, no effective method has been available for detection of such extremely small magnetic moment. To overcome this difficulty, we have developed a highly sensitive magnetic detection technique utilizing the anomalous Hall effect. This technique has systematically revealed the magnetic behaviour and dynamics of various magnetic materials. By using this technique, we have successfully demonstrated new magnetization switching methods to effectively reduce the switching field: one is quasi-ballistic switching by application of an ultrafast transverse magnetic field, and the other is microwave-assisted magnetization switching. These methods may pave the way to overcome the trilemma issues for ultrahigh density magnetic recording. P2-12: Ammonothermal Synthesis of GaN and AlN Powders Junhyeong Choi, Daisuke Tomida, Kun Qiao, Chiaki Yokoyama

Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: Ammonothermal, Gallium nitride, Aluminum nitride, Supercritical ammonia The synthesis of GaN powder and AlN powder was successfully carried out at lower temperatures and lower pressures than those used in previously reported ammonothermal syntheses. NH4Cl was found to be a more effective catalyst for GaN powder synthesis from metallic gallium by the ammonothermal method than NH4I at 300°C, although NH4I was a more effective catalyst than NH4Cl at 500°C. Therefore, the most appropriate reaction temperature was found to depend on the catalyst species. In the case of the synthesis of AlN powder from metallic aluminum, NH4Cl was found to be a more effective catalyst than NH4I at reaction temperatures below 400°C.

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P2-13: Density Measurement of Molten MoSiBTiC Alloys Using an Electromagnetic Levitation Technique in a Static Magnetic Field H. Nakashima1, M. Ohtsuka1, H. Higashi1, H. Fukuyama1, H. Togashi2, K. Yoshimi2 1Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2Graduate School of Engineering, Tohoku University Keywords: Electromagnetic levitation, Density, Thermal analysis, Liquidus temperature MoSiBTiC alloys are expected to be used as high-temperature materials of the next-generation high pressure turbine blades without cooling. Various thermophysical properties of the alloys are necessary to optimize casting processes. In this study, the liquidus temperature and density in a molten state of the alloys were investigated. The alloys were prepared by conventional arc melting. The liquidus temperature of each alloy was determined by thermal analysis using an optical pyrometer calibrated with the blackbody cavity. The density in a molten state of the alloys was accurately measured using an electromagnetic levitation technique in a static magnetic field. P2-14: Influence of Oxidizing Atmosphere in Nuclear Reactor on Reaction between B4C and Austenitic Stainless Steel Xu Gao*, Ryosuke Sasaki*, Shigeru Ueda*, Sun-Joong Kim**, Shin-ya Kitamura* Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Japan, Department of of Materials Science and Engineering, Chosun University, 309, Pilmun-daero, Dong-gu, Gwangju, South Korea Keywords: Control blade, Oxidation, Stainless steel, B4C, B2O3 In the event of a severe accident, the control rod and the channel box containing the nuclear material may be exposed to high temperature steam, and might react each other in the BWRs. Therefore, the stability of this control rod under severe accident conditions is of fundamental importance for the design of light water reactors. In order to analysis the degradation of nuclear reactor in the event of severe accident, it is essential to investigate the reaction between B4C, Stainless Steel(SS) and Zircaloy. In this study, the reactions that occur when B4C and SS coexist were investigated in Ar or Air atmosphere at 1473 K. The oxidation reaction of SS was accelerated by coexisting B4C at temperatures below the eutectic temperature of SS and B4C. P2-15: ADEM Simulation for the Analysis of Electrical Disintegration Kizuku KUSHIMOTO, Shingo ISHIHARA*, Junya KANO* Graduate school of Environmental Studies Tohoku University, * IMRAM Tohoku University Keywords: DEM, Simulation, Electrical disintegration, Breakage Mechanical crushing and grinding equipment breaks the materials into a random pattern that it is difficult to control, and results in a high consumption of energy. Instead of conventional grinding methods, the technology of electrical disintegration (ED) using a lightning discharge impulse were investigated in this study. ADEM (Advanced Distinct Element Method) has been developed to clarify the breakage mechanism of ED. The validation of ADEM was confirmed by various test such as observation of stress distribution and compression test. The breakage behavior of parts on board as a result of applied electrical pulse were calculated by ADEM. Grinding behavior of ED were compared to behavior of mechanical grinding.

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P2-16: A New Direct and Narrow Band Gap Oxide Semiconductor Wurtzite CuGaO2 and Its Band Gap Engineering Takahisa Omata Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: Oxide semiconductor, Wurtzite structure, Band gap engineering β-NaFeO2 structure is an orthorhombic and ternary wurtzite-derived structure. Recently, we found a new oxide semiconductor possessing this structure, β-CuGaO2, of which energy band gap is 1.47 eV, and it exhibits p-type electrical conduction. In this presentation, we introduce optical and electrical properties of β-CuGaO2 and band gap engineering of this material by alloying with β-CuAlO2 and β-LiGaO2. Wurtzite-type β-NaFeO2-type phases were obtained in 0<x<0.7 and the band gap was widened up to 2.1 eV in Cu(Ga1-

xAlx)O2 system. In (Cu1-xLix)GaO2 system, wurtzite-type phases were obtained in 0<x<1, and the band gap was adjustable between 1.47 and 5.6 eV. These new quaternary oxide semiconductors possessing wurtzite-derived structure expanded the energy region that the oxide semiconductors cover into visible and near-infrared region. P2-17: New Proton Conducting Phosphate Glass Exhibiting High Conductivity at Intermediate Temperatures Takuya Yamaguchi, Takahisa Omata Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: proton conductor, intermediate temperature fuel cells, phosphate glass Proton conducting 36HO1/2-4NbO5/2-2BaO-4LaO3/2-4GeO2-1BO3/2-49PO5/2 glass was fabricated by electrochemical substitution of sodium ions with protons. The glass exhibited almost constant proton conductivity of 1×10−3 Scm−1 at 280 °C for 555 h under dry hydrogen atmosphere, while it gradually degraded at the temperatures higher than 320 °C because of dehydration. The fuel cell consisting of the glass electrolyte, Pd-anode and Pt-cathode was operated at 280 °C. Although the output power was small because of the large cathode overpotential, no distinct change appeared in the glass after the 135 h operation indicating that the glass is stable under the fuel cell operation condition. P2-18: Supercritical Hydrothermal Synthesis of Crystal-face and Shape Controlled Cr-doped CeO2 Nanoparticles with High Catalytic Activity

Yuanzheng Zhu1,2, Seiichi Takami1, Gimyeong Seong3, Daisuke Hojo4, Nobuaki Aoki4, Tsutomu Aida3, Tadafumi Adschiri1,3,4 1IMRAM, Tohoku Univ., 2JSPS, 3NICHe, Tohoku Univ., 4AIMR, Tohoku Univ.

Keywords: cerium oxide, supercritical, catalyst, oxygen storage capacity We report the shaped-controlled synthesis of Cr-doped CeO2 by using sub- and supercritical water. The shape of the synthesized nanoparticles was analyzed by SEM, TEM and HRTEM. The particle size of octahedral Cr-doped CeO2 is 15±5 nm with a lattice spacing of 0.314 nm, corresponding to the interplanar spacing of {111} lattice planes. And particle size of cubic Cr-doped CeO2 is 6.5±1.5 nm with a lattice spacing of 0.27 nm which is identical with the {002} or {020} lattice plane. Cr-doped CeO2 with exposed {100} facet shows higher oxygen storage capacity (OSC) than that with {111} facet. The synthesized nanoparticles can be used as catalyst for bitumen upgrading.

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P2-19: Generation of Vector Beams and Applications for Imaging Yuichi Kozawa, Shunichi Sato Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: Vector beam, Subtraction imaging, Super-resolution, Super-oscillation Vector beams have unique optical properties which have not been known for conventional optical beams such as plane wave, Hermite-Gaussian beam and Laguerre-Gaussian beam. The most prominent features of the vector beam are the appearance of strong longitudinal electric feild and smaller focal spot under tight focusing condition. To put these features to practical use, it is first important to develop generation and application techniques of vector beams. Here we show generation techniques of optical vortex beam by unicursal fast scanning pumping and of vector beam using microchip laser crystal with gold-rig nano-pattern. As super-resolution imaging with vector beam, we demonstrate subtraction imaging and super-oscillation imaging. In subtraction imaging, two different vector beams are used for scanning beams in confocal microscope. Two images acquired by each vector beam are subtracted to obtain resolution less than 100 nm. Super-oscillation realizes a focal spot around 100 nm, which is expected to greatly enhance the resolution in confocal microscopy. P2-20: Solvothermal Synthesis of Gallium-doped Zinc Oxide Nanoparticles and Its Application for Preparation of Transparent Conductive Oxide Thin Films Sawa Sakai, Shynsuke Takeya, Masafumi Nakaya, Kiyoshi Kanie, Atsushi Muramatsu Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: Gallium-doped Zinc Oxide, Nanoparticle, Transparent Conductive Oxide, Ink-coating Method Transparent conductive oxides (TCOs) have high optical transparency in the visible light region and controllable resistivity. They are applied such as flat panel display technology and electrical paper. In our previous studies, we have investigated the solvothermal synthesis of tin-doped indium oxide (ITO) nanoparticles (NPs). ITO thin films, prepared by the ink-coating method, show 10-2 Ω･cm. In the present study, we have investigated synthesis of gallium-doped zinc oxide (GZO) NPs. Prepared GZO films showed 5 x 10-3 Ω･cm with high transparency in the visible light region P2-21: Sorption of Radioactive Methyl Iodide on Silver Doped Zeolite for Filtered Venting System Daisuke AKIYAMA, Tasuku ISHII, Nobuaki SATO, Akira KIRISHIMA, Tadashi NARABAYASHI IMRAM, Tohoku Univ., Hokkaido Univ. Keywords: filtered containment venting system, zeolite, radioactive iodine, methyl iodide Filtered containment venting system (FCVS) removes radioactive iodine and cesium released from the reactor vessel during the accident. Iodine exists as different chemical species such as I2 and CH3I in gas and I- and IO3- in solution. As for gaseous species, I2 is easily dissolved in water and fixed by sorbent like other water soluble ions. However, this kind of sorption system is not effective for water insoluble species such as CH3I. The silver doped zeolite (AgX) which is a promising sorbent for CH3I can remove over 99.99% of CH3I in the vent gas. But the evidential experiment data of CH3I sorption on AgX is quite limited. In this study, therefore, labeled CH3I by 125I was synthesized by isotope exchange reaction, and it was devoted for sorption experiment on AgX. Sorption experiment using stable CH3I was also examined by the same method. After the sorption experiment, AgX samples were analyzed by XRD, to confirm AgI was formed in the AgX. For evaluation of the apparent sorption capacity of AgX, CH3I was continuously injected until breaking through AgX. The result indicated that the apparent sorption capacity for CH3I was 0.25g / g (AgX) at 24oC.

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P2-22: Present Status of Time-resolved (e, 2e) Electron Momentum Spectroscopy: Towards Real-time Imaging of Electron Motion in Matter Masakazu Yamazaki,1 Keiya Oishi,1 Hiroyuki Nakazawa,1 Yaguo Tang,1 Chaoyuan Zhu,2, Masahiko Takahashi1 1 Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan, 2 Department of Applied Chemistry, Institute of Molecular Science, National Chiao-Tung University, Hsinchu 30050, Taiwan Keywords: time-resolved spectroscopy, wave function, molecular orbital, electron distribution In order to look at excited-state electron orbitals, the spatial distribution of which largely determines various physical and chemical properties of the excited molecules, we have developed recently a time-resolved electron momentum spectroscopy which employs ultrashort laser and electron pulses in a pump-probe scheme. In spite of the low data statistics as well as of the limited time resolution due to velocity mismatch, the experimental results clearly demonstrate that measurements of electron momentum distributions of short-lived transient molecular orbitals are feasible, opening the door to time-resolved orbital imaging in momentum space. P2-23: ERATO Momose Quantum Beam Phase Imaging Project Atsushi Momose1,5, Kazuyoshi Murata2,5, Hiroyuki Kudo3,5, Takenao Shinohara4,5 1 IMRAM Tohoku University, 2NIPS, 3Tsukuba University, 4J-PARC/JAEA, 5ERATO Momose PJ, JST Keywords: Talbot interferometer, Computed Tomography, X-ray microscope Momose Quantum Beam Phase Imaging Project aims to make great leaps forward for phase imaging technologies that make use of wave nature of the beams of high energy photons (X-rays), neutrons, electrons and so on. The technologies enable to visualize the subtle changes in the structures and non-uniformity of advanced materials, hybrid materials, devices, and industrial products through developing new key optic devices or optical systems that detect faint phase changes. Advanced imaging technologies will be developed by applying multiple quantum beam phase measurement technologies for three-dimensional visualization of a wide variety of materials, devices, and products. This will be done to establish advanced imaging technologies for the material industries of soft matter, hybrid materials, etc., the device industries of energy and electronics, and the medical industries. P2-24: Laboratory-based X-ray Phase-imaging Scanner using Talbot-Lau Interferometer for Non-destructive Testing Shivaji Bachche1, Masahiro Nonoguchi2, Koichi Kato2, Masashi Kageyama2, Takafumi Koike2, Masaru Kuribayashi2, Atsushi Momose1 1IMRAM, Tohoku University, 2-1-1 Katahira, Aoba, Sendai, Miyagi 980-8577, Japan, 2Rigaku Corporation, 3-9-12 Matsubara, Akishima, Tokyo 196-8666, Japan

Keywords: X-ray, Phase imaging, Phase scanner, Grating interferometer, Non-destructive testing For non-destructive industrial testing, an X-ray Talbot-Lau interferometer scanning setup consisting of three transmission gratings, a laboratory-based X-ray source that emits X-rays vertically, and an image detector on the top has been developed for the application of X-ray phase imaging to moving objects that cannot generate sufficient absorption contrast. A brief discussion on the feasibility of X-ray phase imaging scanner for imaging moving samples on belt-conveyors is described. This achievement has brought a breakthrough for the practical industrial applications of X-ray phase imaging for screening objects carried on a belt-conveyers for instance at factories. This research work is supported by JST-SENTAN project.

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P2-25: Development of X-ray Phase-CT Microscope based on Laboratory Source Hidekazu Takano, Yanlin Wu, Wataru Yashiro, Asao Nakano, Atsushi Momose Keywords: X-ray microscopy, grating interferometry, phase measurement, nano-imaging X-ray microscopy can reveal internal structure of object with a resolution higher than optical microscope in principle. This method is even available for transparent objects consisting of soft materials by application of phase shift of x-ray wave. However, such state-of-the-art x-ray microscope is only available in synchrotron radiation facilities. We are developing X-ray phase microscopy using a laboratory source through a project (Momose Quantum-Beam Phase Imaging Project). The system is composed by combining a full-field X-ray microscope optics and a Lau interferometer using transmission gratings. Our purpose is to realize quantitative X-ray phase-CT with the spatial resolution of 50 nm. We will present initial results of the system. P2-26: Origin of Ferroelectricity in Multiferroic SmMn2O5 Studied by Resonant X-ray Scattering Y. Ishii1, M. Mitarashi1, T. Sakakura1, S. Horio1, Y. Noda1, H. Kimura1, T. Honda2, H. Nakao3, Y. Murakami3 1. IMRAM, Tohoku Univ., 2. J-PARC Center, 3. KEK IMSS Keywords: Muliferroics, Resonant x-ray scattering, Magnetism We employed resonant soft and hard x-ray scattering around Sm LIII-, Mn K-, LII-, LIII-, and O K-edges to study the microscopic magnetism and the relation to ferroelectricity of SmMn2O5 Observation of magnetic scattering confirmed that both the Sm and Mn magnetic moments have c-axis component dominantly in the commensurate magnetic phase, which is quit unique because in the other RMn2O5 compounds, Mn moments have a-axis component dominantly. Based on the results, we proposed the magnetic structure which give rise to a large spontaneous electric polarization. P2-27: Sensitive Enrichment of Microdroplet Contents Akihide Hibara

Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: microfluidics, analytical chemistry, liquid phase Recent advancements of micro/nanofluidic technology enable integration of analytical procedures into a microchip. Among various micro/nanofluidic technologies, microfluidic droplet flows are often utilized to encapsulate sample / reagent(s) / reaction product(s) into a single droplet. For bioanlysis, aqueous droplets in organic continuous phase are used. In this presentation, a selective enrichment method of analyte [1] will be introduced, where spontaneous emulsification is utilized in order to control partition / enrichment of compounds encapsulated in a microdroplet. I will explain the conception of the method first, and demonstrate some applications of the method, such as fluorescent bioassay [1] and protein crystallization [2]. [1] Analytical Chemistry, 87(7) 3562-3565 (2015). [2] Analytical Methods, 7(17) 7128-7131 (2015).

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P2-28: Direct Visualization and Nano-patterning of Polymeric Materials by Atmospheric Scanning Electron Microscopy Takeshi Higuchi1, Hidetoshi Nishiyama2, Mitsuo Suga2, Atsushi Takahara3, Hiroshi Jinnai1 1Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2JEOL Ltd., 3Institute for Materials Chemistry and Engineering (IMCE), Kyushu University Keywords: Soft material, Electron microscopy, Polymer brush, Conductive polymer Recently, an atmospheric scanning electron microscope (ASEM), which enables us to observe a specimen under atmospheric pressure, has been developed. This instrument has been used, for example, to directly observe a crystal growth process of inorganic salt in the solution. One of the advantages of ASEM is that electron beam can be irradiated into a liquid specimen. In this study, electrolyte polymer brushes under dry and wet condition were directly visualized by ASEM. Also, a nano-patterning of conductive polymer was carried out by irradiation of electron beam into the liquid monomer with ASEM. P2-29: Chemical and Mechanical properties of DLC Films grown by Photoemission-Assisted Plasma-Enhanced CVD Growth Rintaro Sugimoto1, Connor S. Liston2, Shuichi Ogawa1, Takanori Takeno3, Koushi Adachi3, Yuji Takakuwa1

Institute of Multidisciplinary for Advanced Materials, Tohoku University1, Department of Materials Science and Engineering, University of Washington2, Department of engineering, Tohoku University3 Keywords: Diamond-like Carbon, PA-PECVD, Raman spectroscopy, XPS, Hardness, Friction, A photoemission-assisted plasma-enhanced CVD process (PA-PECVD), which is DC discharge plasma triggered with photoelectrons emitted from a UV-irradiated Si substrate, was employed for synthesizing DLC films for low-friction applications. Raman spectroscopy, XPS, NEXAFS and SIMS observations showed that (1) the amount of incorporated H increased with increasing CH4/Ar ratio at 300oC, while sp3/sp2 C-C bonding ratio was then almost unchanged, and (2) both of H and sp3/sp2 decreased with increasing temperature up to 700oC. The temperature and CH4/Ar ratio dependences of hardness and friction coefficient were interpreted well in terms of H and sp3/sp2. P2-30: Surface Contaminations of Natural Crystal MoS2 by PEEM Investigation R. Kadowaki, N. Sano, T. Abukawa IMRAM, TOHOKU Univ., Sendai, Japan Keywords: Photoelectron spectroscopy, Photoemission electron microscopy Atomically thin films of molybdenum disulfide (MoS2) are usually exfoliated from a mineral bulk single-crystal. It is of importance to evaluate impurities or contaminations of mineral origin on the exfoliated film surfaces. These impurities would strongly influence the properties of the exfoliated MoS2 films. Therefore, the surface electronic structures have been investigated by photoemission electron microscopy and selected-area ultraviolet photoelectron spectroscopy under several exfoliating conditions. We have investigated MoS2 surfaces: surfaces of bulk crystal exfoliated in a vacuum, surfaces exfoliated in the air, and thin films transferred onto a SiO2 substrate in the air.

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P-31: Intrinsic Proton Conductors of Phosphate Salts Yuya Yoshii, Norihisa Hoshino, Takashi Takeda, Tomoyuki Akutagawa Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University Keywords: Proton conduction, Hydrogen-bonding, Single crystal Hydrogen-bonding molecular crystals have attracted much attention to show the interesting physical properties arising from the intermolecular proton-transfers and molecular motions. Herein, the author examined the hydrogen-bonding ionic molecular crystals between the organic ammoniums of halo-anilinium (XAni+) and phosphate (H2PO4-) anion. 13 single crystals of phosphate salts were obtained by solvent evaporation, and types of phosphate hydrogen-bonding networks in the crystals were classified in 5-types (single-chain, ladder-chain, 2D tetramer-network, 2D dimer-network, 2D uniform-network). Impedance spectroscopy revealed that lower dimensional networks showed relatively high protonic conductivity. And, electron density map analysis from X-ray diffraction suggested proton of the phosphate anion contributing to the conduction along with 1 D hydrogen-bonding chain. P2-32: Fabrication of CZTS thin film for solar cells using supercritical fluid chalcogenization Yuta Nakayasu, Takaaki Tomai, Itaru Honma Institute of Multidisciplinary Research for Advanced Materials Keywords: Supercritical fluid, CZTS solar cells, sulfurization/selenization

In this study, we developed supercritical chalcogenization process using low-cost and less hazardous SeO2

and S8, at 400 °C, for 40 min, under supercritical ethanol (scEtOH). This process achieved one-step conversions of Cu–Zn-Sn oxide precursor films to Cu2ZnSn(S,Se)4 films. Moreover, by varying the ratio of these sulfur and selenium sources, we controlled the ratio of S/Se and the bandgap energy in the Cu2ZnSn(S,Se)4 film. It appears the high reduction and dissolving capabilities of scEtOH facilitate the efficient usage of solid sulfur and selenium sources, resulting in a rapid and moderate-temperature chalcogenization. P2-33: Improvement of high-rate performance of all-solid-state lithium battery using quasi-solid-state electrolytes containing ionic liquids Yoshiyuki Gambe, Itaru Honma Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: all-solid-state lithium battery, ionic liquid, nanoparticle All-solid-state lithium batteries using the quasi-solid-state electrolytes with solvate ionic liquids (LiG4FSA and LiG4TFSA) were fabricated and the charge-discharge properties were evaluated. The rate capability of the cell using FSA anion was superior to that of the cell using TFSA anion. Furthermore, long cycle charge-discharge operation of the device using FSA anion was achieved at the 5 C rate.

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P2-34: Operando Observation of Reaction Distribution in LiCoO2 Composite Electrodes of Li-ion Batteries by Using Two-dimensional X-ray Absorption Spectroscopy Y. Kimura1, K. Chiba1, T. Watanabe1, T. Nakamura1, K. Amezawa1, H. Tanida2, Y. Uchimoto2, Z. Ogumi2 1Tohoku University, Sendai, 980-8577, Japan, 2Kyoto University, Kyoto 611-0011, Japan Keywords: Operando, Reaction distribution, LiCoO2, Two-dimensional X-ray absorption spectroscopy A LiCoO2 composite electrode, which is one of the conventional cathodes of Lithium-ion batteries, shows relatively lower capacity under high rate charge/discharge. One of the causes of the capacity loss is inhomogeneous electrochemical reaction. Therefore, it is important to figure out where and how the reaction progresses in the electrodes during charge/discharge. In this study, we performed Operando observation of the reaction distribution in LiCoO2 composite electrodes by using two-dimensional X-ray absorption spectroscopy. P2-35: Quantitative Evaluation of Reaction Area in Solid Oxide Fuel Cell Cathode by Using Model Patterned Thin Film Electrode Y. Fujimaki1, K. Mizuno1, Y. Kimura2, T. Nakamura2, K. D. Bagarinao3, K. Yamaji3, F. Iguchi1, K. Yashiro4, T. Kawada4, K. Amezawa1 1Grad. Sch. Eng., Tohoku Univ., Sendai 980-8577, Japan, 2IMRAM, Tohoku Univ., Sendai 980-8579, Japan, 3AIST, Tsukuba 305-8656, Japan, 4Grad. Sch. Environ. Stu., Tohoku Univ., Sendai 980-8579, Japan Keywords: Solid oxide fuel cell, Cathodic reaction, X-ray absorption, Isotope exchange Solid oxide fuel cell (SOFC) is one of promising next-generation energy conversion devices. In SOFC, a mixed ionic-electronic conducting (MIEC) oxide is typically used as the cathode. For the development of performance of an SOFC cathode, it is important to understand its reaction mechanism. In this work, we aimed to experimentally evaluate the reaction area in an SOFC MIEC cathode by using operando micro X-ray absorption spectroscopy, 16O/18O isotope exchange measurement, and electrochemical impedance spectroscopy. In particular, for the quantitative evaluation of reaction area in an SOFC MIEC cathode, a patterned thin film electrode, which simply modeled a practical porous electrode, was proposed and fabricated by the help of lithographic technique. P2-36: Development of Heat Transfer Model of Rotary Kiln Process Hiroshi Nogami1, Nobuhiro Maruoka1, Takayuki Mochizuki2 1 IMRAM, Tohoku University, 2 Graduate School of Engineering, Tohoku University Keywords: Process simulation, Rotary kiln, Particle tracking, Heat transfer Rotary kiln is one of the most popular processes for high-temperature thermal treatment and reaction of granular materials. The granular materials are processed while they travel through the kiln due to the rotation of slightly slanted kiln vessel. The mixing of the material causes different heating histories of individual particles. Consequently, the kiln operation needs fairly larger margin of heating and reactions. In this study, a mathematical model of heat transfer in the kiln is developed by combining sub-models of the particle tracking, gaseous combustion and wall heat conduction. The model successfully reproduces the individual heating histories of the granular materials in the kiln.

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P2-37: Indirect Determination of Local Structure of Tantalum in Solidified LiF-NaF-KF Salt by 19F Solid-state NMR Spectroscopy Sohei Sukenaga1, *Kyung-Ho Kim1, Itaru Oikawa2, Hitoshi Takamura2, Nobuaki Sato1, Hiroyuki Shibata1 1Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2Department of Metallurgy, Materials Science and Materials Processing, Tohoku University Keywords: tantalum, fluoride salts, solid-state NMR Molten FLiNaK(Li-NaF-KF) is used as a solvent system of electrolysis for tantalum metal. For the successful electrolysis, it is necessary to know the local structure of tantalum cations in the molten salts. In this study, local structure of tantalum in the solidified FLiNaK based salts was indirectly observed by 19F MAS NMR spectroscopy. 19F spectra indicated that tantalum is present as Ta-F-(K, Li) fluoride cluster in the solidified FLiNaK+1%K2TaF7. Tantalum cations are concentrated in an oxide (Ka-Ta-O) for the solidified FLiNaK+1%Ta2O5. P2-38: Stacked Tri-layer Structure Reflecting Soft X-rays in the Water Window Region Tadashi Hatano, Takeo Ejima Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Keywords: multilayer, soft X-ray, reflectance We developed a high reflectance multilayer reflector to be used on condenser optic in microscopes working in the water window soft X-ray region. Designed layer structure is substrate-10×(-Cr-Sc-Mo-)-Cr, where the periodic thickness is 9.8 nm to reflect 4 nm wavelength from highly charged Bi ion soft X-ray source at 77.8° angle of incidence. A peak reflectance similar to that of 20 period Cr/Sc multilayer and a reflection band width similar to that of 10 period Cr/Sc multilayer were expected. Multilayers were deposited by ion beam sputtering and their reflectances were measured at BL-11D of the Photon Factory, KEK. The measured peak reflectance of a Cr/Sc/Mo multilayer was 27.4%. P2-39: TEM EELS/SXES Studies on Electronic Structure of MgB4 Yohei Sato, Masami Terauchi IMRAM, Tohoku Univ. Keywords: TEM, EELS, SXES, Boron cluster compounds Boron cluster compounds show various physical properties. For the individual boron cluster compounds, it is important to reveal the physical property characteristic to the constitute cluster or the structure of the compound. MgB4 has a characteristic crystal structure, which consists of 1D chains composed of pentagonal pyramid B6 clusters. While the physical property is theoretically predicted to be a semiconductor, the electronic structure of MgB4 has not been experimentally revealed, because of the difficulty of synthesizing a large-sized single crystal. Our group has developed TEM equipped with a monochromator for high energy-resolution electron energy-loss spectroscopy (HR-EELS), and a wavelength-dispersive x-ray spectrometer for soft x-ray emission spectroscopy (SXES) based on a TEM. In this study, the electronic structure of MgB4 was investigated by using the EELS and SXES techniques based on TEM.

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P2-40: Electron Holography Study of Magnetic Flux Distribution in Fe-rich Nanocrystalline Soft Magnetic Material Fe85Si2B8P4Cu1 Zentaro Akase1, Tomohiro Saito1, Daisuke Shindo1, Parmanand Sharma2, Akihiro Makino2 1Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, 980-8577, Japan, 2Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan Keywords: Electron holography, Magnetic flux distribution, Nanocrystalline soft magnetic material Fe-rich nanocrystalline material Fe85Si2B8P4Cu1 is a soft magnetic material which has high saturation magnetic flux density and low magnetic core loss because of high Fe concentration and small size of crystallite. This material has a homogeneous nanocrystalline structure composed of alpha-Fe grains with a size of about less than 20 nm which are realized by crystallizing the heterogeneous amorphous alloys with heat-treatment. In this study, we prepared specimens which were heat-treated at deferent temperatures, then we quantitatively evaluated detailed magnetic flux distributions by electron holography. P2-41: Transitional-Metal Di-chalcogenide based Back-gate FETs Fforor Dopamine Detection T. T. Nguyen1, 2, 3, T. Komeda2, E. Watanabe4, H. OOSATO4, D. Tsuya4, A. Ando3 1Dep. of chemistryChemistry, Tohoku univUniv., 6-6 Aramakiaza, Aoba-ku, Sendai, Miyagi 980-8579, Japan, 2Institute of Multidisciplinary Research for Advanced Materials, Tohoku univUniv., 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577, Japan Keywords: MoS2, FET, bio sensor Dopamine (DA) in the central nervous system is concerned with the exercise adjustment and the various feeling as the neurotransmitter. Accurate and selectivity measurement of DA is essential for investigate of brain function and establishment of molecular chemistry-like diagnostic method. In our study, as way of DA sensing, molybdenum disulfide (MoS2), which is family of transition metal dichalcogenides group, based field-effect transistors (FETs) is employed. Study on the dependence of the electrical characteristics of back-gate MoS2 FETs depends on absorbed quantity of DA is aim in this experiments. The fabricated MoS2 FETs are operated in depletion mode with the ON/OFF ratio of 104~5, threshold voltage of -6~-10 V are successfully obtained. The threshold voltage of the fabricated MoS2 FETs showed a clear shift of the threshold voltage after adsorption of DA onto channel region, indicating the sensitivity for the use of a dopamine sensor. P2-42: Ultra-Stable SERS Substrate Prepared by Catechol Containing Polymer Binder Yida Liu, Ali Demirci, Huie Zhu, Shunsuke Yamamoto, Jinguang Cai, Akira Watanabe, Tokuji Miyashita, Masaya Mitsuishi* Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan Keywords: Catechol, Polysiloxane, Self-assembly, SERS Novel catechol containing polysiloxane using for polymer binder was synthesized to induce self-assembly of silver nano-particles (AgNPs). The polymer binder is capable with anchoring AgNPs strongly and forming an ultra-stable surface not only on solid substrate like glass slide or quartz but also on flexible polymer substrates e.g. PMMA, PI, and PET. Nano-structured AgNP arrays will generate a strong surface plasmon which provides with an effective Surface enhanced Raman Scattering (SERS) effect. In-situ testing was also applied, which proves our SERS sensor is practical.

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P2-43: Functionalization of Cellulose Nanofiber for Superhydrophobic Surfaces M. Mahbubul Bashar, Huie Zhu, Shunsuke Yamamoto, Tokuji Miyashita, Masaya Mitsuishi Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University, Sendai, JAPAN Key words: Cellulose nanofiber, Superhydrophobic Surface and Interface Superhydrophobic surfaces with water contact angle (WCA) larger than 150° are the fundamental research in both academic and industrial area for its numerous potential applications. Cellulose nanofiber (CNF) is the most abundant, ubiquitous and renewable biopolymer. In this study, CNF was modified with trichloro(1H, 1H, 2H, 2H-heptadecafluorodecyl)silane (THFS). Two new peaks at 1235 and 1205 cm-1 in FT-IR spectra observed for antisymmetric and symmetric stretching of -CF2- confirmed the grafting of THFS. The modified CNF showed water contact angles larger than 155° and selective wettability for series of organic solvents. P2-44: Solid-State Polymerization in Polydiacetylene Nanofibers and Their Nonlinear Optical Properties Tsunenobu Onodera, Hidetoshi Oikawa Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University Keywords: Organic nanocrystal, Hybrid Nanocrystal, Direct-Assembly, Nonlinear Optics, Plasmonics, Organic nanocrystals are intermediate state between single molecule and the corresponding bulk crystal, which shows the peculiar optical properties, depending on crystal size and shape, and also hybridization is one of the most important and interesting objectives in current material science. We have so far fabricated the well-defined hybrid nanocrystals, composed of polydiacetylene (PDA) core and noble metal shell, toward nonlinear optical (NLO) materials. In addition, PDA nanocrystals are further encapsulated with transparent polymer so as to build-up the direct assembled structure on patterned substrate for device application. Recently, we have been now opened the new field of superior PDA nanofibers to ordinary PDA nanocrystals by evaluating solid-state polymerization dynamics and also by newly establishing the high-precision measurement method of NLO properties. P2-45: Recycling of Silicon Sawdust as High-performance Anode Material for Li-ion Batteries T. Kasukabe1, H. Nishihara1, T. Matsumoto2, H. Kobayashi2, T. Kyotani1

1Institute of Multidisciplinary Research for Advanced Materials, Tohoku Univ., 2The Institute of Scientific and Industrial Research, Osaka Univ. Keywords: Silicon sawdust, recycling, ball-milling, Si-nanoparticle, Li-ion batteries Silicon (Si) has attracted significant attention as a next-generation anode material for Li-ion batteries from its large theoretical capacity, which is 10 times as large as that of conventional graphite anode. Though a lot of high-performance Si-based materials have been reported thus far, it is still a challenging target to develop a mass producible way for high-performance Si-based materials with a reasonably low cost. In this work, we demonstrate the preparation of high-performance Si-nanoparticle anode materials for Li-ion batteries from the Si sawdust which is industrial waste. By milling Si sawdust into a nanodisk shape, much better performance is achieved than that of a nanospherical shape. In addition, the carbon coating remarkably improves the rate capability.

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P2-46: Preparation of a High Surface Area Ordered Microporous Carbon Co-doped with Nitrogen and Boron Alberto Castro-Muñiz1, Hirotomo Nishihara1,2, Tetsuya Hirota1, Mao Ohwada1, Li Li-Xiang1, 3, Tetsuya Thuda4, Susumu Kuwabata4, Takashi Kyotani1 1Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Japan, 2PRESTO, the Japan Science and Technology Agency (JST), 4-1-8 Honcho, Kawaguchi 332-0012, Japan, 3University of Science and Technology Lianoning, China, 4Osaka University, Osaka, Japan. Keywords: Nitrogen/Boron co-doping, CVD, ordered microporous carbon, hard template, ionic liquid An ordered microporous carbon co-doped with nitrogen (N) and boron (B) was obtained by using the hard template method. The nanochannels of a zeolite NaY were filled with an ionic liquid that contains N and B. The ionic liquid/zeolite was submitted to chemical vapor deposition using acetylene gas. The templated carbon obtained upon removing the zeolite keeps an ordered porous structure with a surface area as high as 1884 m2/g. P2-47: Cation and Anion Sensing Properties of Crown Ether Fused Quinoxalinoe Derivatives Yuta Nakane,1 Takashi Takeda,1, 2 Norihisa Hoshino,1, 2 Ken-ichi Sakai,3 and Tomoyuki Akutagawa1, 2 1Graduate School of Engineering, Tohoku University, Japan, 2Institute of Multidisciplinary Research of Advanced Materials, Tohoku University, Japan, 3Chitose Institute of Science and Technology, Japan Keywords: Quinoxalinone, Crown Ether, Fluorescence, Ion Sensing, Tautomerizm Fluorescecnt sensor molecules with the ion recognition properties have a potential to show tunable optical properties according to the ion sensing states. The fluorescent sensor molecules bearing multiple ion sensing sites have been attracted much attentions to construct molecular devices such as logic gates. Recently, we reported the dual ion sensing behavior of Li+, AcO- and F- ions in new quinoxalinone derivative. Herein, we further designed and synthesized new crown-ether fused quinoxalinone derivative in order to introduce new alkali metal ion sensing site, and its multiple ion sensing properties for cations and anions were examined as the optical responses. P2-48: Optical Properties and Ferroelectric Properties of Chiral Alkyl-amide Substituted Pyrene Derivatives Hayato Anetai,1 Takashi Takeda,1,2 Norihisa Hoshino,1,2 Tomoyuki Akutagawa1,2 1Grad. School of Eng., Tohoku Univ. 2IMRAM, Tohoku Univ. Keywords: Ferroelectricity, Hydrogen-bond, Molecular aggregation, Pyrene, Chirality Pyrene derivative bearing alkylamide (1) showed the columnar liquid crystalline states and ferroelectric properties via hydrogen-bonding self-assemblies.1 Herein, we successfully obtained novel pyrene derivatives (S-2, R-2) which has chiral alkylamide, and compared S-2 and R-2 to 1 to discuss the effect of alkylamide in the pyrene derivatives. In the solvent, 1, S-2 and R-2 showed the same UV/vis spectra and fluorescence spectra. However, at the balk state, 1 showed liquid crystal phase, on the other hand, S-2 and R-2 didn’t show liquid crystal phase. This result was occurred by columnar interaction changing. (Ref. [1] H. Anetai, T. Takeda, T. Akutagawa et al., J. Phys. Chem. Lett. 2015, 6, 1813.)

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P2-49: Ferroelastic Domain Switching in Boric Acid Single Crystal Norihisa Hoshino1,2, Shota Uchikawa1, Takashi Takeda1,2, Tomoyuki Akutagawa1,2 1 Graduate School of Engineering, Tohoku University, 2 Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University

Keywords: Molecular crystal, Hydrogen bonding, Ferroelastic crystal, Deuterated effect Domain orientations in ferroelastic crystal can be changed to each other by the application of outer stimuli of mechanical stress. Although the ferroelastic property of boric acid B(OH)3 crystals has been reported by Wadhawan,1 there was no report about the detail analyses on the domain switching phenomena and mechanical hysteresis. Herein we examined the mechanical response of boric acid single crystal, and discussed the domain switching mechanism based on the hydrogen-bonding layer structure and domain orientation. 1 Wadhawan, V. K. Mat. Res. Bull. 1978, 13, 1-8. P2-50: Material and Processing Science in Nanoimprint Lithography Masaru Nakagawa, Nobuya Hiroshiba, Takahiro Nakamura IMRAM, Tohoku Univ. Keywords: electron beam lithography, screen printing, pattern transfer, dry etching UV nanoimprint lithography can deal with nanofabrication of object sizes larger than single digit nanometers. Mold fabrication, resin formulation, coating, pattern transfer involving molding and demolding, dry etching, alignment, and building are necessary for device fabrication by nanoimprint lithography. In this report, we summarize our current status in imprint science and technology. Silica molds fabricated by electron beam lithography, fluorescent photo-curable resins to reveal interfacial phenomena during pattern transfer, screen printing of UV-curable resins with polymer through-hole membranes prepared by laser drilling, anisotropic oxygen reactive ion etching to remove residual layers and so on will be introduced. P2-51: Nanoscale surface elasticity of photo-cured thin films for UV nanoimprint lithography Haruna Yano1, Shoichi Kubo2, Ken Nakajima3, Masaru Nakagawa1 1IMRAM, Tohoku Univ., 2National Institute of Materials Science (NIMS), 3Tokyo Institute of Technology Keywords: atomic force microscopy, UV nanoimprint lithography, Young’s modulus mapping UV nanoimprinting is considered as an easy-to-use tool for nanofabrication. Homogeneous etching durability of UV-cured resin films in nanometer-scale is required for transferring resist mask shapes precisely to a substrate surface. For example, in ion milling process, accelerated ion species attack a resin, resulting in bond cleavage of polymer chains. Low-molecular-weight components existing in low crosslink density regions are decomposed and vaporized readily. We noticed surface elasticity related to crosslink density to investigate the formation of microgels in cured films. In this study, we report the influence of film thickness on surface elasticity by atomic force microscopy.

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P2-52: Thermoelectric Properties of Na2ZnSn5 Ingots Masahiro Kanno1, Takahiro Yamada1,2, Hisanori Yamane1 1IMRAM, Tohoku University, 2JST, PRESTO Keywords: Thermoelectric material, Low thermal conductivity, Tunnel structure, Zintl compound Two polymorphs of hP-Na2ZnSn5 (metastable phase: hexagonal, P6122) and tI-Na2ZnSn5 (stable phase: tetragonal, 𝐼𝐼4�2𝑑𝑑) crystallize in three-dimensional framework structures formed by Zn and Sn atoms, having helical tunnels in which Na atoms are located with disorder. Both phases were expected to show low thermal conductivities due to the disorder of Na atoms. The ingots of hP- and tI-Na2ZnSn5 were prepared by cooling the melts of the constituent elements with the stoichiometric composition at different cooling rates. The electrical conductivity (σ), Seebeck coefficient (S), and thermal conductivity (κ) of the hP-Na2ZnSn5 ingot measured at 295 K were 1.1×105 Sm-1, −111 μVK-1, and 1.87 Wm−1K−1, respectively. The σ, S, and κ values of the tI-Na2ZnSn5 ingot were 2.8×102 Sm-1, −455 μVK-1, and 0.61 Wm−1K−1, respectively, at 295 K. The dimensionless figure of merit (ZT) values of the hP- and tI-Na2ZnSn5 ingots were 0.21 and 0.03, respectively, at 295 K. P2-53: Crystal Structure and Electrical Resistivity of a Novel Intermetallic Compound, Na2Pt3Ge Kohei Aiba1, Takahiro Yamada1, 2, Hisanori Yamane1 1Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan, 2JST, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama, 332-0012, Japan Keywords: Novel ternary compound, Structure analysis, Sodium, Platinum, Germanium Single crystals and sintered polycrystalline samples of Na2Pt3Ge were synthesized from Na, Pt and Ge mixtures by heating up to 1273–1423 K. Single crystals were silver with an octahedral habit and a size of 50–200 μm. Na2Pt3Ge crystallizes in a cubic P4132 with a = 7.4406(2) Å and is isotypic with Al2Mo3C. The structure has a 3D framework of Ge–Pt6 anti-triangular prisms by sharing vertices. Na atoms locate in the space of the framework forming a distorted diamond structure. The sintered sample of Na2Pt3Ge with a relative density of ca. 60 % showed a metallic behavior (1.8 × 10-4 Ω cm at 300 K). P2-54: Development of the Optimum Dispersion for Light Shielding Thin Films Mikihiko KOBAYASHI, Xiaoyoug WU, Shu YIN, Tsugio SATO. Yin Lab, IMRAM, Tohoku University, Japan Keywords: Cerium Oxide, Thin Film, Light Shielding, Smart Window Our research group succeeded in synthesizing Ca2+-doped CeO2 nanoparticle as light shielding material, which has excellent UV shielding properties compared to other materials. However, in order to apply the material for smart window, it’s critically important to prepare the thin film with good UV shielding properties and high visible light transparency. In this research, we tried to find out the optimum condition to fabricate thin films. We prepared well dispersed material solutions using some kinds of surfactants, and the thin film was fabricated by aqueous method such as doctor blade. The optical properties such as UV shielding properties, visible light transmittance and haze value were investigated.

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P2-55: Photoluminescence Properties of Mn4+-activated Perovskite-type Titanates Yohei Takeda1,*, Hideki Kato1, Makoto Kobayashi1, Hisayoshi Kobayashi2, Masato Kakihana1 1 IMRAM, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan, 2 Graduate School of Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan Keywords: Phosphor, Perovskite, Band structure Mn4+-activated perovskite-type titanates, La2MTiO6 (M = Mg, Zn), exhibited luminescence in a region of deep red to near infrared (650-750 nm) while SrTiO3:Mn4+ shows no emission at room temperature. Theoretical calculation of band structures revealed that the t2g orbitals of Mn4+ are located above the valence band in La2MgTiO6:Mn4+ while those are embedded in the valence band in SrTiO3:Mn4+. The electron transfer from the valence band to empty t2g orbital in the excited SrTiO3:Mn4+ would be a main reason for poor photoluminescence property. P2-56: Achievement of Deep-red Emission from Eu2+ Active Ca2SiO4 Phosphor Dawei Wena, Hiroki Kuwaharaa, Yasushi Satob, Hideki Katoa, Makoto Kobayashia, Takaki Masakic, *Masoto Kakihanaa aIMRAM, Tohoku. Univ., bOkayama Univ of Sci., cSungkyunkwan Univ Keywords: LEDs, red phosphor, Eu2+

The great demand of red phosphors for white LEDs forces us to develop novel materials. The α’L-Ca2SiO4:Eu2+ exhibit yellow emission under UV and blue light excitation. As the concentration of Eu2+ increases in theα’L-Ca2SiO4 host, the emission color shifts to longer wavelength obviously. The reason of the phenomenon is the unequal distribution of Eu2+ ions in the Ca(1n) and Ca(2n) sites. The Eu2+ ions emit yellow light and red emission in Ca(1n) and Ca(2n) sites, respectively. When the concentration of Eu2+ is low, the Eu2+ ions mainly occupy the Ca(1n) sites, emitting yellow light. However, when the concentration increases, the yellow emission quenches due to the concentration quenching and red emission from Eu2+ in Ca(2) is observed. P2-57: The SLiT-J project: Super Brilliant X-ray Facility for Science, Technology and Innovation of the Nano-disciplines T. Abukawa, W. Yashiro, M. Watanabe, T. Ejima, K. Shinoda, K. Kanie, N. Nishimori, H. Kimura, K. Inaba, K. Amezawa, M. Takata, H. Hamaa Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, aResearch Center for Electron Photon Science, Tohoku University Keywords: Synchrotron radiation, Soft X-ray nano-beam, Coherent X-ray beam, 3 GeV-class light sources Advanced Synchrotron Radiation(SR) has been recognized as a premier research tool for developments of nano Science and Technology, and the SR facilities around worlds constantly evolved to provide super-brilliant and super-directive X-ray for the nano-disciplines. Soon after the Great East Japan Earthquake in 2011, a low emittance 3GeV SR facility, Synchrotron Light in Tohoku(SLiT-J), has been projected. The primary target of the project is to achieve single nanometer scale resolution imaging. The validity of the SLiT-J project has been evaluated by the international review held in June 2016. The latest status and the perspectives on the project will be presented.

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P2-58: Study on Cathodic Reaction on Proton Conducting SrZr0.9Y0.1O3-α Electrolyte using Patterned La0.6Sr0.4CoO3-δ Film Electrode S.Hashimoto1, K. Suzuki1, K. Yashiro1, K. Amezawa2, and T. Kawada1 1Graduate School of Environmental Studies (GSES), Tohoku University, 2Institute of Multidisciplinary Research for Advanced Materials (IMRAM), Tohoku University Keywords: proton conducting ceramic fuel cells, pattern electrode, La0.6Sr0.4CoO3-δ cathode The cathodic reaction mechanism of La0.6Sr0.4CoO3-δ on the proton conducting SrZr0.9Y0.1O3-α electrolyte was examined using patterned La0.6Sr0.4CoO3-δ film electrode. It was confirmed that main cathodic reaction sites were triple phase boundaries between air, La0.6Sr0.4CoO3-δ, and SrZr0.9Y0.1O3-α. P2-59: Microstructural Aspects of Friction Stir Welding Sergey Mironov, Yutaka S. Sato, Hiroyuki Kokawa Department of Materials Processing, Graduate School of Engineering, Tohoku University Keywords: Friction stir welding, Microstructure, EBSD Friction stir welding (FSW) is a revolutionary solid state joining technique. It is widely considered as one of the most significant recent achievements in the welding and joining field. The practical success of the FSW techniques necessitates a more fundamental understanding of the underlying physical processes. Thus, microstructure evolution, material flow and structure-properties relationship are now becoming the key issues in the FSW field. In this presentation, our findings on these issues will be briefly shown. P2-60: Reentrant Martensitic Transformation in Heusler-type Co2Cr(Ga,Si) Shape Memory Alloys Xiao Xu1, Makoto Nagasako2, Mitsuo Kataoka3, Rie Y. Umetsu2, Toshihiro Omori1, Takeshi Kanomata4 and Ryosuke Kainuma1 1Department of Materials Science, Tohoku University, Sendai, Japan, 2Institute for Materials Research, Tohoku University, Sendai, Japan, 3Laboratory for Solid State Physics, Sendai, Japan, 4Research Institute for Engineering and Technology, Tohoku Gakuin University, Tagajo, Japan Keywords: Shape memory alloys, Martensitic transformation, Reentrant transition Recently, we reported the reentrant martensitic transformation behavior in Co2Cr(Ga,Si) alloys. After the normal martensitic transformation, the parent phase appears again at low temperature, and a cooling-induced shape memory effect was also realized. This is a very unique behavior and one can notice the similarities with the reentrant behavior of pure iron. In this presentation, the phase diagram and the temperature dependence of transformation entropy change are systematically investigated. It was found that the ferromagnetic state of the parent phase greatly contribute to this reentrant behavior.

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P2-61: B-doping Effect on the Thermoelectric Properties of Mg2Si Masataka Kubouchi, Kei Hayashi, Yuzuru Miyazaki Department of Applied Physics, Graduate School of Engineering, Tohoku University, Sendai, Miyagi, Japan Keywords: Thermoelectric conversion, Magnesium silicide, First principles calculation Thermoelectric conversion has attracted considerable attention as a promising technology to directly transform waste heat into electric energy. Thermoelectric efficiency is evaluated in terms of the dimensionless figure of merit, ZT = S2σT/κ, where S, σ, T, and κ are the Seebeck coefficient, electrical conductivity, absolute temperature, and thermal conductivity, respectively. Magnesium silicide (Mg2Si) is one of the promising thermoelectric materials. In this study, we focused on boron (B) as a dopant to improve the ZT value. The preferential site of the B atoms was predicted using the first principles calculation. In addition, we prepared B-doped Mg2Si samples and measured their thermoelectric properties. The B atoms were considered to occupy an interstitial site in Mg2Si. The B-doped Mg2Si exhibited the maximum ZT of 0.68 which is six times greater than that of the non-doped sample. P2-62: Effects of Ru Substitution on Crystal Structure and Thermoelectric Properties of Higher Manganese Silicides Hiroki Nagai, Haruki Hamada, Kei Hayashi, Yuzuru Miyazaki Department of Applied Physics, Graduate School of Engineering, Tohoku University Keywords: Thermoelectricity, Silicide, Valence electron counts, Thermal conductivity Thermoelectric (TE) power generation based on the Seebeck effect attracts much attention as one of the clean power generation techniques. The performance of TE materials is generally evaluated by the dimensionless figure-of-merit ZT (Z = S2σ/κ, S : Seebeck coefficient, σ : electrical conductivity, κ : thermal conductivity, T : absolute temperature). Higher manganese silicides, MnSiγ, is regarded as a potential candidate for TE material due to high oxidation resistance at a high temperature and consists of inexpensive elements. Moreover, MnSiγ exhibits low thermal conductivity owing to complex crystal structure. In this study, heavy-element Ru substitution for Mn site in polycrystalline MnSiγ was performed to further reduce the thermal conductivity. As a result, the thermal conductivity at 300 K decreased from 3.2 W/mK for MnSi1.75 to 2.3 W/mK for the (Mn0.88Ru0.12)Si1.72 sample. P2-63: Materials Processing under Non-equilibrium Reaction Field Induced by Microwave Irradiation Jun Fukushima and Hirotsugu Takizawa Department of Applied Chemistry, Graduate School of Engineering, Tohoku University Keywords: microwave processing, non-equilibrium reaction field, functional materials Microwave processing in materials science has many advanced features, for example, the development of fine microstructures and improvement in chemical and physical properties. These features are believed to be due to the non-equilibrium nature of reaction field induced by microwaves. Microwave processing is essentially “non-equilibrium reaction” because microwave absorbing behavior strongly depends on a nature of a material. In a selective heating system, we can expect different reaction mechanism under microwave irradiation as compared to conventional heating. This situation causes a formation of non-equilibrium structure or texture.

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P2-64: Development of New Metallic Alloys and Processes for Solar Cells, LSI Interconnections, Phase Change Memories, and Hard Coatings Yuji Sutou, Daisuke Ando, Hoang Tri Hai, and Junichi Koike Dept. of Materials Science, Graduate School of Engineering, Tohoku University Keywords: solar cell, LSI, interconnection, phase change memory, hard coating The major research activity of our group is the development of novel metallic alloys both in bulk and in thin-film forms. Bulk work includes the deformation and fracture mechanisms of magnesium alloys and the development of new magnesium alloys having a good ductility or thermoelastic effects. Thin-film work includes the development of (1) cost effective Si solar cells using Cu paste and a multifunction interface layer, (2) a novel diffusion barrier layer and gap-fill process for sub-10nm LSI interconnections; (3) phase change memory materials having good thermal stability and switching properties, and (4) hard coating materials having high hardness and low friction coefficient. Presentation will focus on our recent work on thin film subjects. P2-65: Fabrication and Charge-Discharge Properties of Composite Anodes using LiBH4 for Lithium Secondary Batteries Keita Kurigami, Itaru Oikawa, Hitoshi Takamura Department of Materials Science, Graduate School of Engineering, Tohoku University Keywords: All-solid-state lithium battery, lithium borohydride, anode material All-solid-state Li batteries have been attracting much attention because of safety and flexible design. Among a number of solid electrolytes, our group has been focusing on LiBH4. This material has good formability and no reactivity with Li metal, which is a promising anode material. To utilize the Li metal as the anode, in this study, composite anode comprising of carbon and LiBH4 is proposed. For the composite anode, thin and uniform Li deposition at the surface of carbon materials is expected. Its charge-discharge properties will be discussed in the context of the morphology of Li deposited.

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