活動レポート

【2022年】


 

【論文発表】
・Shun Nishimura*
"High-Throughput Screening and Literature Data Driven Machnine Learning Assistaing Discovery of La2O3-based Catalysts for Low-Temperature Oxidative Coupling of Methane
Paper presented at 31st Annual Saudi-Japan Symposium on Technology in Fuels & Petrochemicals -Innovative Catalyst Development-, KFUPM, Dhahran, Saudi Arabia, pp.32-42. [Published at December 12, 2022]
(JAIST Repository)

 
Junya Ohyama*, Yuka Tsuchimura, Hiroshi Yoshida, Masato Machida, Shun Nishimura, Keisuke Takahashi*
Bayesian-Optimization-Based Improvement of Cu-CHA Catalysts for Direct Partial Oxidation of CH4
Journal of Physical Chemistry C, 2022, 126(46), 19660-19666. [Available online: November 9, 2022]
DOI: 10.1021/acs.jpcc.2c04229

 

Keisuke Takahashi*, Lauren Takahashi, Shun Nishimura, Jun Fujima, Junya Ohyama
Chapter 12: "The Rise of Catalysts Informatics“ (Book Chapter)
"Crystalline Metal Oxide Catalyst" by Wataru Ueda (Ed.), Springer Verlag, Singapore, November 2022, pp.349-371. [Available online: October 26, 2022]
DOI: 10.1007/978-981-19-5013-1_12、ISBN-13: 978-981-19-5012-4

Keisuke Takahashi*, Lauren Takahashi, Son Dinh Le, Takaaki, Kinoshita, Shun Nishimura, Junya Ohyama
Synthesis of Heterogeneous Catalysts in Catalysts Informatics to Bridge Experiment and High Throughput Calculation
Journal of the American Chemical Society, 2022, 144(34), 15735-15744. [Available online: August 19, 2022]
DOI: 10.1021/jacs.2c06143

 

Shun Nishimura*, Junya Ohyama, Xinyue Li, Itsuki Miyazato, Toshiaki Taniike, Keisuke Takahashi*
Machine Learning-Aided Catalyst Modification in Oxidative Coupling of Methane via Manganese promoter
Industrial & Engineering Chemistry Research, 2022, 61(24), 8462-8469. [Available online: April 8, 2022]
DOI: 10.1021/acs.iecr.1c05079

 

Shun Nishimura*, Son Dinh Le, Itsuki Miyazato, Jun Fujima, Toshiaki Taniike, Junya Ohyama, Keisuke Takahashi*
‟High-Throughput Screening and Literature Data Driven Machine Learning Assisting Investigation of Multi-component La2O3-based Catalysts for Oxidative Coupling of Methane“
Catalysis Science & Technology, 2022, 12(9), 2766-2774. [Available online: February 10, 2022]
DOI: 10.1039/D1CY02206G
[Elected as the outside front cover]

 

Junya Ohyama*, Yuka Tsuchimura, Airi Hirayama, Hiroki Iwai, Hiroshi Yoshida, Masato Machida, Shun Nishimura, Kazuo Kato, Keisuke Takahashi
‟Relationships Among the Catalytic Performance, Redox Activity and Structure of Cu-CHA Catalysts for the Direct Oxidation of Methane to Methanol Investigated Using In Situ XAFS and UV-vis Spectroscopies“
ACS Catalysis, 2022, 12(4), 2454-2462. [Available online: February 3, 2022]
DOI: 10.1021/acscatal.1c05559

 

Junya Ohyama*, Daiki Abe, Airi Hirayama, Hiroki Iwai, Yuka Tsuchimura, Kazuki Sakamoto, Momoka Irikura, Yuri Nakamura, Hiroshi Yoshida, Masato Machida, Shun Nishimura, Tomokazu Yamamoto, Syo Matsumura, Keisuke Takahashi
Selective Oxidation of Methane to Formaldehyde over Silica-Supported Cobalt Single-Atom Catalyst
The Journal of Physical Chemistry C, 2022, 126(4), 1785-1792. [Available online: January 25, 2022]
DOI: 10.1021/acs.jpcc.1c08739

 

・Xinyue Li, Son Dinh Le, Shun Nishimura*
Reductive Amination of 5-hydroxymethyl-2-furaldehyde over Beta Zeolite-supported Ruthenium Catalyst
Catalysis Letters, 2022, 152(9), 2860-2868. [Available online: Nov 26, 2021]
DOI: 10.1007/s10562-021-03872-6

 

Shun Nishimura*, Son Dinh Le, Yusaku Asai, Natsuki Takahashi, Maho Endo, Shintaro Ohmatsu
Boehmite-derived aluminum oxide catalyst for a continuous intramolecular aldol condensation of 2,5-hexanedione to 3-methyl-2-cyclopentenone in a liquid-flow reactor system
Chemistry Letters, 2022, 51(2), 131-134. [Available online: Nov 23, 2021]
DOI: 10.1246/cl.210616

 

Son Dinh Le, Shun Nishimura*
Selective hydrogenation of succinic acid to gamma-butyrolactone with PVP-capped CuPd catalysts
Catalysis Science & Technology, 2022, 12(4), 1060-1069. [Available online: Nov 8, 2021]
DOI: 10.1039/D1CY01735G
[Elected as the outside back cover]

 
 
 
【学会発表】

<JAIST物質化学フロンティアシンポジウム2022> 2022年12月20日, JAIST.
〇 西村俊
"知識抽出の視点に基づく固体触媒インフォマティクスの実践"
[Oral (30min)]
 
<31th Saudi Japn Annual Symposium: Technolgy in Fuel & Petrochemicals-Innovative Catalyst Development> 2022年12月12-13日, KFUPM, Dhahran Techno Valley, Saudi Arabia.
〇 Shun Nishimura
"High-Throughput Screening and Literature Data Driven Machine Learning Assisting Discovery of La2O3-based Catalysts for Low Temperature Oxidative Coupling of Methane"
[Oral (No.8, 20min)-invited]
 
<JPI-KSIEC Joint Symposium: Advances in Material and Processing for Energy-Environmental Applications> 2022年11月3日, Daejeon Convention Center, Daejeon, Koria.
〇 Shun Nishimura
"Machine learning-aided catalyst investigation for oxidative coupling of methane"
[Oral (1LH-7, 30min)-invited]
 
 <石油学会 第52回石油・石油化学討論会> 2022年10月27~28日, JA長野県ビル, 長野およびオンライン.
大山順也, 土村佑香、芳田 嘉志、町田正人、西村俊、髙橋啓介
"メタンからメタノールへの直接酸化に有効なCuゼオライト触媒の探索と反応機構解析"
[Oral (2C12, 15min)]
〇西村俊、大山順也、LI Xinyue、宮里一旗、谷池俊明、髙橋啓介
"OCM触媒スクリーニングに基づく課題設定と機械学習を動機付けとした活性向上"
[Poster (P10)]
 
 <カーボンニュートラル達成に貢献する大学等コアリション イノベーションWG 第2回シンポジウム> 2022年8月1日, オンライン.
永井由佳里(理事・副学長)、西村俊(カーボンニュートラル研究センター)
講演(産学官連携の事例と課題について)およびパネルデスカッション (イノベーションにつながる"新しい産学官連携についての議論の場"の創出)
 
<The 9th Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT9)> 2022年7月24-29日, Fukuoka, Japan (Hybrid).
〇Junya Ohyama, Yuka Tsuchimura, Airi Hirayama, Hiroshi Yoshida, Masato Machida, Shun Nishimura, Kazuo Kato, Itsuki Miyazato, Keisuke Takahashi
"Effect of Redox Property of Cu Zeolites on Catalytic Partial Oxidation of Methane Investigated by In Situ XAFS Spectroscopy"
[Oral (OC105, 20min)]
 
<触媒学会西日本支部 第13回触媒科学研究発表会> 2022年6月10日, 金沢大学サテライト・プラザ, 石川.
LING Zijian、 西村 俊
La修飾アルミナ触媒を用いた2,5-ヘキサンジオンの分子内アルドール縮合反応
[Poster (P08)]
〇LI Xinyue、西村俊
"Reductive Amination of 5-Hydroxymethylfurfural with Ni-Co Bimetallic Catalysts"
[Poster (P19)]
 
<石油学会 第70回研究発表会、第26回JPIJSポスターセッション> 2022年5月30~31日, タワーホール船堀, 東京.
〇西村俊、LE Dinh Son、宮里一旗、藤間淳、谷池俊明、大山順也、髙橋啓介
"実験および文献データと機械学習を用いた低温La2O3系OCM触媒の探索"
[Oral (B08, 15min)-注目発表]
LING Zijian、 LI Xinyue 、西村 俊
種々の金属修飾アルミナ触媒を用いた2,5-ヘキサンジオンの分子内アルドール縮合反応
[Poster-JPIJS (P39)]
 

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マテリアルズインフォマティクス国際研究拠点(JAISTエクセレントコア)


カーボンニュートラル研究センター(JAIST未来創造イノベーション推進本部)