研究拠点群形成プロジェクト深層学習の予測に基づいた新規機能性化合物創成と検証

本研究プロジェクトでは、深層学習(ディープラーニング)・計算化学・有機化学合成の融合により、機能性分子の設計～検証までを一括して実現するイノベーションサイクル研究拠点形成を行っています。研究概要

研究実績リスト

原著論文(33件、2017/4～2019/3末現在)

  • T. Yamate, H. Suzuki, T. Fujiwara, T. Yamaguchi, M. Akazome, Polyacrylamide-Scaffold Adhesive Bearing Multiple Benzene Rings Forming CH/π Interactions with Polyolefin, Advanced Materials Letters, 9(7), 526-530 (2018) (doi: 10.5185/amlett.2018.2055)
  • T. Yamate, T. Fujiwara, T. Yamaguchi, H. Suzuki, M. Akazome, Exploiting CH/π Interactions in Robust Supramolecular Adhesives, Polym. Chem., 9, 4303-4308 (2018) (doi: 10.1039/C8PY00592C)
  • Yabe R, Tsuji S, Mochida S, Ikehara T, Usui T, Ohama T, Sato K, A stable association with PME‐1 may be dispensable for PP2A demethylation – implications for the detection of PP2A methylation and immunoprecipitation, FEBS Open Bio, 8(9) 1486-1496 (2018) (doi: 10.1002/2211-5463.12485)
  • Usui T, Sakurai M, Umata K, Elbadawy M, Ohama T, Yamawaki H, Hazama S, Takenouchi H, Nakajima M, Tsunedomi R, Suzuki N, Nagano H, Sato K, Kaneda M, Sasaki K., Hedgehog Signals Mediate Anti-Cancer Drug Resistance in Three-Dimensional Primary Colorectal Cancer Organoid Culture., Int J Mol Sci., 19(4) ,1098 (2018) (doi: 10.3390/ijms19041098)
  • Usui T, Sakurai M, Umata K, Yamawaki H, Ohama T, Sato K., Preparation of Human Primary Colon Tissue-Derived Organoid Using Air Liquid Interface Culture, Curr Protoc Toxicol., 75(1), 22.6.1-22.6.7 (2018) (doi: 10.1002/cptx.40)
  • Enjoji S, Yabe R, Tsuji S, Yoshimura K, Kawasaki H, Sakurai M, Sakai Y, Takenouchi H, Yoshino S, Hazama S, Nagano H, Oshima H, Oshima M, Vitek MP, Matsuura T, Hippo Y, Usui T, Ohama T, Sato K, Stemness Is Enhanced in Gastric Cancer by a SET/PP2A/E2F1 Axis, Mol Cancer Res., 16(3), 554-563 (2018) (doi: 10.1158/1541-7786.MCR-17-0393)
  • (Review) Ohama T, The multiple functions of protein phosphatase 6, Biochem Biophys Acta, 1866(1), 74-82 (2019) (doi: 10.1016/j.bbamcr.2018.07.015)
  • M. Nishi, R. Ishii, M. Ikeda, N. Hanasaki, N. Hoshino, T. Akutagawa, M. Sumimoto, M. Matsuda, An electrically conducting crystal composed of an octahedrally ligated porphyrin complex with high-spin iron(III), Dalton Trans., 47, 4070-4075 (Back Cover) (2018) (doi: 10.1039/C7DT04649A)
  • K. Urakawa, Y. Kawabata, M. Matsuda, M. Sumimoto, H. Ishikawa, α-Ketocarbenium Ions Derived from Orthoquinone-Containing Polycyclic Aromatic Compounds, Org. Lett., 20(9), 2534-2537 (2018) (doi: 10.1021/acs.orglett.8b00682)
  • A. Kamimura, R. Watanabe, T. Fukumitsu, K. Ikeda, T. Kawamoto, M. Sumimoto, S. Mori, H. Uno, Deltaarenes; novel macrocyclic molecules that are readily available from 1,4-benzoquinone and benzene dithiols, Tetrahedron, 74(38), 5303-5308 (2018) (doi: 10.1016/j.tet.2018.04.070)
  • Y. Yamane, K. Yoshinaga, M. Sumimoto, T. Nishikata, Iron-Enhanced Reactivity of Radicals Enables C-H Tertiary Alkylations for Construction of Functionalized Quaternary Carbons, ACS Catal., 9(3), 1757-1762 (2019) (doi: 10.1021/acscatal.8b04872)
  • M. Narita, T. Murafuji, S. Yamashita, M. Fujinaga, K. Hiyama, Y. Oka, F. Tani, S. Kamijo, K. Ishiguro, Synthesis of 2-Iodoazulenes by the Iododeboronation of Azulen-2-ylboronic Acid Pinacol Esters with Copper(I) Iodide, J. Org. Chem., 83(3), 1298-1303 (2018) (doi: 10.1021/acs.joc.7b02820)
  • A. F. M. Hafizur Rahman, T. Murafuji, K. Yamashita, M. Narita, I. Miyakawa, Y. Mikata, K. Ishiguro, S. Kamijo, Synthesis and antifungal activities of pyridine bioisosteres of a bismuth heterocycles derived from diphenyl sulfone, Heterocycles, 96(6), 1037-1052 (2018) (doi: 10.3987/COM-18-13876)
  • T. Murafuji, A. F. M. Hafizur Rahman, D. Magarifuchi, M. Narita, I. Miyakawa, K. Ishiguro, S. Kamijo, One-Pot Synthesis of Hypervalent Diaryl(iodo)bismuthanes from o- Carbonyl Iodoarenes by Zincation, Heteroatom Chemistry, Article ID 2385064, 7 pages (2019) (doi: 10.1155/2019/2385064)
  • S. Yamazaki, D. Shimizu, S. Tani, K. Honda, M. Sumimoto, K. Komaguchi, Effect of Dispersants on Photochromic Behavior of Tungsten Oxide Nanoparticles in Methylcellulose, ACS Appl. Mater. Interfaces, 10(23), 19889-19896 (2018) (doi: 10.1021/acsami.8b04875)
  • N. Nishiyama, K. Kozasa, T. Okajima, M. Fujitsuka, T. Majima, S. Yamazaki, Factors affecting photocatalytic activity of visible light-responsive titanium dioxide doped with chromium ions, Catal. Sci. Technol., 8, 4626-4733 (2018) (doi: 10.1039/C8CY01411F)
  • Y. Yamazaki, A, Azami, R. Katoh, S. Yamazaki, Developing Active TiO2 Nanorods by Examining the Influence of Morphological Changes from Nanorods to Nanoparticles on Photocatalytic Activity, ACS Appl. Nano Mater., 1(10), 5927-5935 (2018) (doi: 10.1021/acsanm.8b01617)
  • Usui T, Sakurai M, Nishikawa S, Umata K, Nemoto Y, Haraguchi T, Itamoto K, Mizuno T, Noguchi S, Mori T, Iwai S, Nakagawa T, Yamawaki H, Ohama T, Sato K, Establishment of a dog primary prostate cancer organoid using the urine cancer stem cells., Cancer Sci., 108(12), 2383-2392 (2017) (doi: 10.1111/cas.13418)
  • Kake S, Tsuji S, Enjoji S, Hanasaki S, Hayase H, Yabe R, Tanaka Y, Nakagawa T, Liu HP, Chang SC, Usui T, Ohama T, Sato K, The Role of SET/I2PP2A in canine mammary tumors, Scientific Reports., 7(1), 4279 (2017) (doi: 10.1038/s41598-017-04291-7)
  • Usui T, Sakurai M, Kawasaki H, Ohama T, Yamawaki H, Sato K, Establishment of a novel three-dimensional primary culture model for hippocampal neurogenesis, Physiological Reports, 5(12), e13318 (2017) (doi: 10.14814/phy2.13318)
  • Kawasaki H, Saotome T, Usui T, Ohama T, Sato K, Regulation of intestinal myofibroblasts by KRas-mutated colorectal cancer cells through heparin-binding epidermal growth factor-like growth factor, Oncology Report, 37(5), 3128-3136 (2017) (doi: 10.3892/or.2017.5520)
  • Kake S, Usui T, Ohama T, Yamawaki H, Sato K, Death-ssociated protein kinase 3 controls tumor progression of A549 cells through ERK MAPK/c-Myc signaling, Oncology Report, 37(2), 1100-1106 (2017) (doi: 10.3892/or.2017.5359)
  • T. Murafuji, Y. Tasaki, M. Fujinaga, K. Tao, S. Kamijo, K. Ishiguro, Blue amino acids derived from azulen-1-ylboronic acid pinacol ester via the Petasis reaction, Synthesis, 49, 1037-1042 (2017) (doi: 10.1055/s-0036-1588907)
  • T. Murafuji, K. Shintaku, K. Nagao, Y. Mikata, K. Ishiguro, and S. Kamijo, Synthesis and structural characterization of diazulenylborinic acid, Heterocycles, 94, 676-690 (2017) (doi: 10.3987/COM-17-13651)
  • T. Koide, M. Takesue, T. Murafuji, K. Satomi, Y. Suzuki, J. Kawamata, K. Terai, M. Suzuki, H. Yamada, Y. Shiota, K. Yoshizawa, F. Tani, An azulene-fused tetracene diimide with a small HOMO-LUMO gap, ChemPlusChem, 82, 1010-1014 (2017) (doi: 10.1002/cplu.201600356)
  • N. Nishiyama, S. Yamazaki, Effect of mixed valence states of platinum ion dopants on the photocatalytic activity of titanium dioxide under visible light irradiation, ACS Omega, 2, 9033-9019 (2017) (doi: 10.1021/acsomega.7b01393)
  • T. Seyama, T. Tanimura, K. Tashiro, S. Yamazaki, Photocatalytic degradation of trichloroethylene on platinum ion-doped TiO2 under visible light irradiation, Res. Chem. Intermed., 43, 5025-5039 (2017) (doi: 10.1007/s11164-017-3051-z)
  • T. Yamaguchi, H. Yamada, K. Hori, Development of a Kinetics Simulator based on Transition State Theory and Its Application to Gas Absorption Reaction in Solution, Kagaku Kougaku Ronbunshu, 43(2), 111-116 (2017) (doi: 10.1252/kakoronbunshu.43.111)
  • T. Yamate, H. Suzuki, K. Kumazawa, T. Fujiwara, T. Yamaguchi, M. Akazome, Effective design of supramolecular polymer adhesives based on multiple CH/π interactions, Molecular Systems Design & Engineering, 3, 214-222 (2017) (doi: 10.1039/C7ME00022G)
  • N. Hamamoto, H. Sonoda, M. Sumimoto, K. Hori, H. Fujimoto, Theoretical study on crystal polymorphisms and electronic structure of lead(II) phthalocyanine using model dimers, RSC Adv., 7, 8646-8653 (2017) (doi: 10.1039/C6RA27269J)
  • S. Arae, T. Mori, T. Kawatsu, D. Ueda, Y. Shigeta, N. Hamamoto, H. Fujimoto, M. Sumimoto, T. Imahori, K. Igawa, K. Tomooka, T. Punniyamurthy, R. Irie, Synthesis and Stereochemical Properties of Chiral Hetero[7]helicenes Structured by a Benzodiheterole Ring Core, Chem. Lett., 46, 1214-1216 (2017) (doi: 10.1246/cl.170410)
  • Y. Yoshikawa, M. Yamakawa, T. Kobayashi, K. Murai, M. Arisawa, M. Sumimoto, H. Fujioka, First Asymmetric Total Synthesis and Insight into the Structure of Laurenidificin, Eur. J. Org. Chem., 19, 2715-2718 (2017) (doi: 10.1002/ejoc.201700321)
  • S. Beppu, S. Arae, M. Furusawa, K. Arita, H. Fujimoto, M. Sumimoto, T. Imahori, K. Igawa, K. Tomooka, R. Irie, Stereoselective Intramolecular Dearomatizative [4+2] Cycloaddition of Linked Ethynylnaphthol-Benzofuran Systems, Eur. J. Org. Chem., 46, 6914-6918 (2017) (doi: 10.1002/ejoc.201701481)

著書、総説、特許、その他

  • 円城寺秀平, 大浜剛, 炎症・がんにおけるタンパク質脱リン酸化酵素PP2Aの役割, 日薬理誌, 149. 208-212 (2017)
  • 村藤俊宏, 谷文都, 広がるアズレンの化学ー合成法の発展と有機材料への新展開, 化学同人 化学, 72, 64-65 (2017)
  • 山本豪紀, シクロヘキサノンの製造方法, 特許第6210488号 (特願2013-221267) (2017)
  • 隅本倫徳，藤本斉, 密度汎関数理論による奇異分子構造，固体物性および反応機構へのアプローチ, 触媒，Vol. 59，No. 4，207-213 (2017)

産学連携協議会（県内企業との相談会）

  • 開催日: 2019年 6月 6日
  • 開催日: 2019年 5月27日
  • 開催日: 2019年 3月22日
  • 開催日: 2018年 8月24日
  • 開催日: 2018年 7月24日
  • 開催日: 2018年 6月29日