Publications

2025

2025

  • Predictive Modeling of Visible-Light Azo-Photoswitches' Properties Using Structural Features
    S. Byadi, P. Hashim, P. Sidorov, JOURNAL OF CHEMINFORMATICS, 2025, 17, 42
    DOI: 10.1186/s13321-025-00993-7
  • Carboxylation of Ammonium Ylides with CO2 for the Synthesis of α-Amino Acids: Integrating Experimental and Computational Approaches
    T. Mita, Bulletin of the Chemical Society of Japan, 2025, 98,
    DOI: 10.1093/bulcsj/uoaf028
  • Treatment of Pancreatic Cancer Using Near-Infrared Photoimmunotherapy Targeting Cancer-Associated Fibroblasts in Combination with Anticancer Chemotherapeutic Drug
    H. Yonemura, M. Kuwatani, K. Nakajima, A. Masamune, M. Ogawa, N. Sakamoto, Cancers, 2025, 17(9), 1584
    DOI: 10.3390/cancers17091584
  • CuH-Catalyzed Regio- and Enantioselective Hydroallylation of 1-Trifluoromethylthioalkenes: Leaving Group-Dependent Stereochemistry
    Y. Kojima, S. Suda, W. Kanna, Y. Nishii, S. Maeda, K. Hirano, Chem. Eur. J., 2025, ,
    DOI: 10.1002/chem.202501210
  • Photoinduced Copper-Catalyzed Radical Mizoroki-Heck Reaction with Unactivated Alkyl Iodide
    Y. Xu, H. Luo, D. Hu, L. Gao, F. Yu, S. Li, C. Li, Y. Li, M. Gao, L. Lin, Org. Lett., 2025, ,
    DOI: 10.1021/acs.orglett.5c00602
  • Photoinduced Direct β-Allylation of Carboxylic Acids Enabled by Boron Catalysis with a Mixed Two-Ligand System
    K. Sun, Y. Heike, Y. Yoshida, M. Sawamura, D. Huang, Y. Shimizu, Chemcatchem, 2025, ,
    DOI: 10.1002/cctc.202500091
  • Dynamics of Doubly Photoionized OCS Molecules and Hidden Reaction Pathways
    R. Kanbara, T. Tsutsumi, K. Furuya, T. Taketsugu, Journal of Computer Chemistry-Japan, 2025, 24, 5-9
    DOI: 10.2477/jccj.2024-0044
  • Comparative Analysis of Reinforcement Learning Algorithms for Finding Reaction Pathways: Insights from a Large Benchmark Data Set
    Y. Matsumura, K. Tabata, T. Komatsuzaki, J. Chem. Theory Comput., 2025, 21(7), 3523-3535
    DOI: 10.1021/acs.jctc.4c01780
  • Mechanochemistry-Induced Universal Hydrogel Surface Modification for Orientation and Enhanced Differentiation of Skeletal Muscle Myoblasts
    Y. Nie, Q. Mu, Y. Sun, Z. Ferdous, L. Wang, C. Chen, T. Nakajima, J. Gong, S. Tanaka, M. Tsuda, ACS APPLIED BIO MATERIALS, 2025, 8, 3144-3155
    DOI: 10.1021/acsabm.4c01991
  • A Nearly Perfect Icosahedral Ir@Au12 Superatom with Superior Photoluminescence Obtained by Ligand Engineering
    K. Mutoh, T. Yahagi, S. Takano, S. Kawakita, T. Iwasa, T. Taketsugu, T. Tsukuda, T. Nakashima, Chem. Sci., 2025, ,
    DOI: 10.1039/d5sc00561b
  • Fragmentation-Based Linear-Scaling Method for Strongly Correlated Systems: Divide-and-Conquer Hartree-Fock-Bogoliubov Method, Its Energy Gradient, and Applications to Graphene Nano-Ribbon Systems
    M. Kobayashi, R. Kodama, T. Akama, T. Taketsugu, CHEMISTRY-SWITZERLAND, 2025, 7(2), 46
    DOI: 10.3390/chemistry7020046
  • Effect of Hydroxy Groups on X-Ray-Induced Reactions of Azo Benzene Derivatives
    K. Ogawara, N. Ieda, H. Takakura, K. Nakajima, A. Mukaimine, M. Harada, K. Hashimoto, O. Inanami, M. Ogawa, Org. Biomol. Chem., 2025, 23, 3595-3600
    DOI: 10.1039/d5ob00003c