Biological Quantum Chemistry
Photosynthesis, vision, and bioluminescence are one of the most intriguing research subjects, for they are life phenomenons which explicitly use the light, excited states. Photosynthesis of the green plants is very important reaction producing the energy on the globe. We have solved some enigmatic questions regarding to the photo-induced electron-transfer in the reaction center. For vision, we are studying the color-tuning mechanism of the retinal proteins. We are also studying the molecular mechanism of the bioluminescence of the fireflies and jerryfishes.
The oxygen-fixation process is essential for the living systems. We are studying the mechanism of the oxygen-molecule binding by through that observed in oxyheme and oxyhemocyanin.
- Red Light in Chemiluminescence and Yellow-green Light in Bioluminescence: Color-tuning Mechanism of Firefly, Photinus pyralis, studied by the SAC-CI method, Naoki Nakatani, Jun-ya Hasegawa, Hiroshi Nakatsuji, J. Am. Chem. Soc. in press.
- Theoretical Studies on the Color-Tuning Mechanism in Retinal Proteins, K. Fujimoto, S. Hayashi, J. Hasegawa, and H. Nakatsuji, J. Chem. Theory Comput. 3, 605-618 (2007).
- On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study, K. Fujimoto, J. Hasegawa, S. Hayashi, and H. Nakatsuji, Chem. Phys. Lett. 432, 252-256 (2006).
- Mechanism of Color-Tuning in Retinal Proteins: SAC-CI and QM/MM Study, K. Fujimoto, J. Hasegawa, S. Hayashi, S. Kato, H. Nakatsuji, Chem. Phys. Lett., 414, 239-242 (2005).
- On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes, H. Nakashima, J. Hasegawa, H. Nakatsuji, J. Comp. Chem., 27, 1363-1372 (2006).
- Energetics of the Electron Transfer from Bacteriophephytin to Ubiquinone in the Photosynthetic Reaction Center of Rhosopseudomonas Viridis: Theoretical Study, J. Hasegawa, M. Ishida, and H. Nakatsuji, J. Phys. Chem. B, 107, 838-847 (2003).
- Electron Transfer in the C-Type Cytochrome Subunit of the Photosynthetic Reaction Center of Rhodopseudomonas Viridis: Ab Initio Theoretical Study, Y. Ohtsuka, K. Ohkawa, H. Nakatsuji, J. Comp. Chem., 22, 521-527 (2001).
- The Role of Proteins in the Electron Transfer in the Photosynthetic Reaction Center of Rhodopseudomonas Viridis: Bacteriopheophytin to Ubiquinone, H. Ito and H. Nakatsuji, J. Comp. Chem., 22, 265-272 (2001).
- Excited States and Electron Transfer Mechanism in the Photosynthetic Reaction Center of Rhodopseudomonas Viridis: SAC-CI Study, H. Nakatsuji, J. Hasegawa, and K. Ohkawa, Chem. Phys. Lett., 296 (5,6), 499-504 (1998).
- Excited States of the Photosynthetic Reaction Center of Rhodopseudomonas Viridis: SAC-CI Study, J. Hasegawa, K. Ohkawa, H. Nakatsuji, J. Phys. Chem. B, 102 (50), 10410-10419 (1998).