Publications

1. Murayama, S.; Ishimoto, T.; Naka, H.
   Inverse Kinetic Isotope Effect in Singlet-to-Triplet Intersystem Crossing Contributes to Greater Robustness of Deuterated Organocatalyst
   Bull. Chem. Soc. Jpn. 2024, in press. DOI: https://doi.org/10.1093/bulcsj/uoae028

2. Nasu, K.; Sakagami, H.; Kanematsu, Y.; Rivera Rocabado, D. S.; Shimazaki, T.; Tachikawa, M.; Ishimoto, T.

Computational Analysis of H/D Isotope Effect on Adsorption of Water and Its Dissociated Species on Pt(111) Surface. 

AIP Advances 2023, 13. 065305. DOI: https://doi.org/10.1063/5.0151660. 

3. Shimohata, Y.; Kanematsu, Y.; Rocabado, D. S. R.; Ishimoto, T.

Quantum Effects of Hydrogen Nuclei on the Nuclear Magnetic Shielding Tensor of Ice Ih

J. Phys. Chem. A 2023, 127, 8025. DOI: https://doi.org/10.1021/acs.jpca.3c01318 

4. Murakawa, T.;Kurihara, K.; Shoji, M.; Yano, N.; Kusaka, K.; Kawano, Y.; Suzuki, M.; Shigeta, Y.;  Yano, T.; Adachi, M.; Tanizawa, K.; Okajima, T.

Neutron Crystallography of a Semiquinone Radical Intermediate of Copper Amine Oxidase Reveals a Substrate-Assisted Conformational Change of the Peptidyl Quinone Cofactor

ACS Catal. 2023, 13, 12403. DOI: https://doi.org/10.1021/acscatal.3c02629 

5. Kanao, E.; Osaki, H.; Tanigawa, T.; Takaya, H.; Sano, T.; Adachi, J.; Otsuka, K.; Ishihama, Y.; Kubo, T.

Rational Supramolecular Strategy via Halogen Bonding for Effective Halogen Recognition in Molecular Imprinting

Anal. Chem. 2023, 95, 9304. DOI: https://doi.org/10.1021/acs.analchem.3c01311 

6. Li, Y.; Kanao, E.; Yamano, T.; Ishihama, Y.; Imami, K.

TurboID-EV: Proteomic Mapping of Recipient Cellular Proteins Proximal to Small Extracellular Vesicles

Anal. Chem. 2023, 95, 14159. DOI: https://doi.org/10.1021/acs.analchem.3c01015 

7. Shimbayashi, T.; Ishige, T.; Fujita, K.

Rh-catalysed Divergent Synthesis of Polysubstituted Pyrroles from Α,β-unsaturated Ketones via Selective Single or Double Insertion of Isocyanides. 

Organic Chemistry Frontiers 2023, 10 (22), 5559–5567. DOI: https://doi.org/10.1039/d3qo01269g. 

8. Inoue, R.; Oroguchi, T.; Oda, T.; Farago, B.; Martel, A.; Porcar, L.; Sato, M.; Sugiyama, M. 

Internal dynamics of multidomain protein as revealed by an optimized neutron spin echo measurement and all-atom molecular dynamics simulation
Phys. Rev. Research 2023, 5, 043154. DOI: https://doi.org/10.1103/PhysRevResearch.5.043154 

9. Morishima, K.; Inoue, R.; Sugiyama, M. 

Derivation of the small-angle scattering profile of a target biomacromolecule from a profile deteriorated by aggregates. AUC–SAS
J. Appl. Crystallogr. 2023, 56, 624. DOI: https://doi.org/10.1107/S1600576723002406 

10. Aijima, T.; Ueda, R.; Nakane, T.; Makino, F.; Ohnishi, Y.; Nakajima, K.; Kamino, S.; Kurisu, G.; Namba, K.; Nakata, H., Mogi, K.; Sajiki, H.; Akai, S.; Sawama, Y.
    Versatile Biaryls and Fused Aromatics through Oxidative Coupling of Hydroquinones with (Hetero)Arenes.
    ChemRxiv 2023, DOI: 10.26434/chemrxiv-2023-7pf7h.

11. Takakuwa, M.; Kita, Y.; Shimazaki, T.; Kanematsu, Y.; Ishimoto, T.; Adachi, M.; Tachikawa, M.
    Theoretical Analysis of Hydrogen-Bonded Structures of the Enhanced Green Fluorescent Protein with Multi-Component Density Functional Theory.
    Bull. Chem. Soc. Jpn. 2023, 96, 711-716. DOI: 10.1246/bcsj.20230085.

12. Mori, S.; Naka, H.; Saito, S.; Sakurai, S.
    Metal-loaded Semiconductor-photocatalysis of Alcohols for Selective Organic Synthesis: A Personal Account.
    Synlett 2023, 34, 2361−2373. DOI: 10.1055/a-2124-4037. 

13. Uchiyama, H.; Ban, K.; Nozaki, S.; Ikeda, Y.; Ishimoto, T.; Fujioka, H.; Kamiya, M.; Amari, R.; Tsujino, H.; Arai, M.; Yamazoe, S.; Maekawa, K.; Kato, T.; Doi, M.; Kadota, K.; Tozuka, Y.; Tomita, N.; Sajiki, H.; Akai, S.; Sawama, Y.
    Impact of Multiple H/D Replacements on the Physicochemical Properties of Flurbiprofen.
    RSC Medicinal Chemistry 2023 https://doi.org/10.1039/d3md00357d.

14. Murayama, S.; Li, Z.; Liang, H.; Liu, Y.; Naka, H.; Maruoka, K.
    Impact of Catalyst Deuteration on the Reactivity of Chiral Phase-Transfer Organocatalysts
    Chem. Eur. J. 2023, 29, e202301866. DOI: 10.1002/chem.202301866

15. Ban, K.; Imai, K.; Oyama, S.; Tokunaga, J.; Ikeda, Y.; Uchiyama, H.; Kadota, K.; Tozuka, Y.; Akai, S.; Sawama, Y.. Alkyl Sulfonium Salt‐based Reagents for Introduction of Deuterated Alkyl Groups in Drug Discovery. Angew. Chem. Int. Ed. 2023  e202311058. https://doi.org/10.1002/anie.202311058.

16. Moriyama, S.; Mae, M.; Shibata, D.; Yamakoshi, H.; Kajimoto, S.; Nakabayashi, T.; Ishimoto, T.; Mogi, K.; Sajiki, H.; Akai, S.; Sawama, Y.
    Multiple Deuteration of Triphenylphosphine and Live-cell Raman Imaging of Deuterium-incorporated Mito-q.
    Chem. Commun. 2023. 59, 12100−12103. DOI: 10.1039/d3cc04410f 

17. Udagawa, T.*; Tanaka, H.; Hirano, T.; Kuwahata, K.; Tachikawa, M.; Baba, M; Nagashima U.
    Direct elucidation of the vibrationally averaged structure of benzene: A path integral molecular dynamics study.
    J. Phys. Chem. A. 2023, 127, 894–901. DOI: 10.1021/acs.jpca.2c07197 

18. Sawama, Y.; Matsuda, T.; Moriyama, S.; Ban, K.; Fujioka, H.; Kamiya, M.; Shou, J.; Ozeki, Y.; Akai, S.; Sajiki H.
    Unprecedented regioselective deuterium-incorporation of alkyltrimethylammonium chlorides and Raman analysis.
    Asian. J. Org. Chem. 2023, 12, e202200710. DOI: 10.1002/ajoc.202200710

19. Imai, K.; Tomita, N.; Fujioka, H.; Kamiya, M.; Ogasahara, R.; Ban, K.; Shimizu, H.; Ishimoto, T.; Sajiki, H.; Akai, S.; Sawama, Y.
    Homemade solution of NaOD in D2O: Applications in the field of stilbene-d1 synthesis
    Asian. J. Org. Chem. 2023, 12, e202200690 . DOI: 10.1002/ajoc.202200690

20. Sawama, Y.; Kuwata, S.; Mae, M.; Udagawa, T.; Akai, S.; Sajiki, H.
    Oxidative two‐way regiocontrolled coupling of 3‐methoxycarbonylcatechol and indoles to arylindoles.
    Chem. Comm. 2022, 58, 12935–12938. DOI: 10.1039/D2CC04843D (Highlight in Back Cover. DOI: 10.1039/D2CC90417A)

21. Itoga, M.; Yamanishi, M.; Udagawa, T.; Kobayashi, A.; Maekawa, K.; Takemoto Y.; Naka, H.
    Iridium-catalyzed α-selective deuteration of alcohols.
    Chem. Sci. 2022, 13, 8744–8751. DOI: 10.1039/D2SC01805E (Highlighted in Outside Front Cover. DOI: 10.1039/D2SC90156K )
    Press Release

22. Udagawa, T.; Hattori, I.; Kanematsu, Y.; Ishimoto, T.; Tachikawa, M.
    Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron-induced intramolecular proton transfer reactions in 8-hydroxyquinoline.
    Int. J. Quant. Chem. 2022, 122, e26962. DOI: 10.1002/qua.26962

23. Kanao, E.; Nakano, K.; Kamei, R.; Hosomi, T.; Ishihama, Y.; Adachi, J.; Kubo, T.; Otsuka, K.; Yanagida T.
    Moderate molecular recognitions on ZnO m-plane and their selective capture/release of bio-related phosphoric acids.
    Nanoscale Adv. 2022, 4, 1649–1658. DOI: 10.1039/D1NA00865J 

24. Kawajiri, A.; Udagawa, T.; Minoura, M.; Murai, T.
    Stereoselective transesterification of P-chirogenic hydroxybinaphthyl phosphinates.
    ChemistryOpen. 2022, 11, e202100294.  DOI: 10.1002/open.202100294

25. Miwa, Y.; Udagawa, T.; Kutsumizu, S.
    Repulsive segregation of fluoroalkyl side chains turns a cohesive polymer into a mechanically tough, ultrafast self-healable, nonsticky elastomer.
    Scientific Reports. 2022, 12, 12009. DOI:10.1038/s41598-022-16156-9

26. Udagawa, T.; Kinoshita, A.; Kazuaki, K.; Tachikawa, M.
    A path integral molecular dynamics study on the NH4+ rotation in NH4+⋯XH2 (X = Be or Mg) dihydrogen bond systems.
    Phys. Chem. Chem. Phys. 2022, 24, 17295-17302. DOI: 10.1039/D2CP01999J

27. Miwa, Y.; Hasegawa, K.; Udagawa, T.; Shinke, Y.; Kutsumizu, S.
    Effect of alkali metal cations on network rearrangement in polyisoprene ionomers.
    Phys. Chem. Chem. Phys. 2022, 24, 17042–17049. DOI: 10.1039/D2CP01159J

28. Tanaka, H.; Kuwahata, K.; Tachikawa, M.; Udagawa, T.
    Low-barrier hydrogen bond in Fujikurin A-D: A computational study.
    ACS Omega. 2022, 7, 14244-14251. DOI: 10.1021/acsomega.2c00857

29. Liang, H.; Li, Z.; Liu, Y.; Murayama, S.; Naka, H.; Maruoka, K. 
    Synthesis of optically pure, deuterated Maruoka Catalysts and their chemical reactivity.
    Tetrahedron Lett. 2022, 96, 153753. DOI: 10.1016/j.tetlet.2022.153753

30. Kimura, Y.; Kanematsu, Y.; Sakagami, H.; Rocabado, D. S. R.; Shimazaki, T.; Tachikawa, M.; Ishimoto, T.
    Hydrogen/Deuterium Transfer from Anisole to Methoxy Radicals: A Theoretical Study of a Deuterium-Labeled Drug Model.
    J. Phys. Chem. A. 2022, 126, 155−163. DOI: 10.1021/acs.jpca.1c08514

31. Udagawa, T.; Kuwahata, K.; Tachikawa, M.
    Competitive Nuclear Quantum Effect and H/D Isotope Effect on Torsional Motion of H₂O₂: An Ab Initio Path Integral Molecular Dynamics Study.
    Comput. Theor. Chem. 2022, 1208, 113542. DOI: 10.1016/j.comptc.2021.113542

32. 澤間善成. 重水素標識機能性材料の網羅的合成を目指して. YAKUGAKU ZASSHI. 2022, 142, 139–144. DOI: 10.1248/yakushi.21-00173-2

33. 澤間善成. 重水素化体の合成と重水素学(Deut-Switch)としての歩み. 生産と技術, 2022, 74, 55–58.

34. 澤間善成. 重水素置換低分子化合物の創薬利用と効率的合成. 細胞, 2022, 54, 43-45.

35. Ishimoto, T.; Sakagami, H.; Kanematsu, Y.; Tachikawa, M.
    H/D isotope effect between adsorbed water (H₂O, D₂O, and HDO) and H₂O- and D₂O-ice Ih(0 0 0 1) basal surfaces based on the combined plane wave and localized basis set method.
    Appl. Surf. Sci. 2021, 561, 150100. DOI: 10.1016/j.apsusc.2021.150100

36. Udagawa, T.; Murphy, R. B.; Darwish, T. A.; Tachikawa, M.; Mori, S.
    H/D Isotope Effects in Keto-Enol Tautomerism of β-Dicarbonyl Compounds —Importance of Nuclear Quantum Effects of Hydrogen Nuclei—.
    Bull. Chem. Soc. Jpn. 2021, 94, 1954–1962. DOI: 10.1246/bcsj.20210083

37. Yasukawa, N.; Yamada, Y.; Furugen, C.; Miki, Y.; Sajiki, H.; Sawama, Y.
    Gold-Catalyzed Tandem Oxidative Coupling Reaction between β-Ketoallenes and Electron-Rich Arenes to 2-Furylmethylarenes.
    Org. Lett. 2021, 23, 5891–5895. DOI: 10.1021/acs.orglett.1c02007