業績一覧

2022年

2022年

  • Doping-Mediated Energy-Level Engineering of M@Au-12 Superatoms (M=Pd, Pt, Rh, Ir) for Efficient Photoluminescence and Photocatalysis
    H. Hirai, S. Takano, T. Nakashima, T. Iwasa, T. Taketsugu, T. Tsukuda, Angew. Chem., Int. Ed., 2022, 61,
    DOI: 10.1002/anie.202207290
  • Quantum Chemical Calculations to Trace Back Reaction Paths for the Prediction of Reactants
    Y. Sumiya, Y. Harabuchi, Y. Nagata, S. Maeda, Jacs Au, 2022, 2, 1181-1188
    DOI: 10.1021/jacsau.2c00157
  • Practical Electronic Ground-and Excited-State Calculation Method for Lanthanide Complexes Based on Frozen Core Potential Approximation to 4f Electrons
    M. Kobayashi, Y. Oba, T. Akama, T. Taketsugu, Journal of Mathematical Chemistry, 2022, ,
    DOI: 10.1007/s10910-022-01356-5
  • CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data
    T. Gimadiev, R. Nugmanov, A. Khakimova, A. Fatykhova, T. Madzhidov, P. Sidorov, A. Varnek, J. Chem. Inf. Model., 2022, 62, 2015-2020
    DOI: 10.1021/acs.jcim.1c01105
  • Design of an Organocatalytic Asymmetric (4+3) Cycloaddition Of2-Indolylalcohols with Dienolsilanes Br
    J. Ouyang, R. Maji, M. Leutzsch, B. Mitschke, B. List, J. Am. Chem. Soc., 2022, 144, 8460-8466
    DOI: 10.1021/jacs.2c02216
  • Protocol for a Sepsis Model Utilizing Fecal Suspension in Mice: Fecal Suspension Intraperitoneal Injection Model
    T. Tsuchida, T. Wada, A. Mizugaki, Y. Oda, K. Kayano, K. Yamakawa, S. Tanaka, Frontiers in Medicine, 2022, 9,
    DOI: 10.3389/fmed.2022.765805
  • SynthI: A New Open-Source Tool for Synthon-Based Library Design
    Y. Zabolotna, D. M. Volochnyuk, S. V. Ryabukhin, K. Gavrylenko, D. Horvath, O. Klimchuk, O. Oksiuta, G. Marcou, A. Varnek, J. Chem. Inf. Model., 2022, 62, 2151-2163
    DOI: 10.1021/acs.jcim.1c00754
  • Cubically Cage-Shaped Mesoporous Ordered Silica for Simultaneous Visual Detection and Removal of Uranium Ions from Contaminated Seawater (vol 189, 3, 2022)
    D. A. Tolan, E. A. Elshehy, W. A. El-Said, T. Taketsugu, K. Yoshizawa, A. M. El-Nahas, A. R. Kamali, A. M. Abdelkader, Microchimica Acta, 2022, 189,
    DOI: 10.1007/s00604-022-05285-7
  • Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes Based on Reduced-Dimension Space
    T. Tsutsumi, Y. Ono, T. Taketsugu, Topics in Current Chemistry, 2022, 380,
    DOI: 10.1007/s41061-022-00377-7
  • Structures, Energetics, and Spectra of (NH) and (OH) Tautomers of 2-(2-Hydroxyphenyl)-1-Azaazulene: A Density Functional Theory/ Time-Dependent Density Functional Theory Study
    A. B. El-Meligy, S. H. El-Demerdash, M. A. Abdel-Rahman, M. A. M. Mahmoud, T. Taketsugu, A. M. El-Nahas, Acs Omega, 2022, 7, 14222-14238
    DOI: 10.1021/acsomega.2c00866
  • Scaling Theory of Swelling and Deswelling of Polymer Networks
    T. Yamamoto, J. A. Campbell, S. Panyukov, M. Rubinstein, Macromolecules, 2022, 55, 3588-3601
    DOI: 10.1021/acs.macromol.1c02553
  • Insights into the Mechanism of Enantioselective Copper-Catalyzed Ring-Opening Allylic Alkylation of Cyclopropanols
    A. Kitabayashi, S. Mizushima, K. Higashida, Y. Yasuda, Y. Shimizu, M. Sawamura, Adv. Synth. Catal., 2022, 364, 1855-1862
    DOI: 10.1002/adsc.202200157