| Project/Area Number |
14340181
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | KYOTO UNIVERSITY |
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Principal Investigator |
TAKEGOSHI Kiyonori Kyoto Univ., Graduate School of Sci., Asso.Prof., 大学院・理学研究科, 助教授 (10206964)
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| Co-Investigator(Kenkyū-buntansha) |
TERAO Takehiko Kyoto Univ., Graduate School of Sci., Prof., 大学院・理学研究科, 教授 (50093274)
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| Project Period (FY) |
2002 – 2003
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| Project Status |
Completed (Fiscal Year 2003)
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| Budget Amount *help |
¥12,900,000 (Direct Cost: ¥12,900,000)
Fiscal Year 2003: ¥2,900,000 (Direct Cost: ¥2,900,000)
Fiscal Year 2002: ¥10,000,000 (Direct Cost: ¥10,000,000)
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| Keywords | Nitorogen-14 / Quadrupole interaction / Overtone NMR |
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| Research Abstract |
The aim of this work is to build a new NMR system for a ^<14>N high-resolution NMR method developed recently by us, and further apply to structural studies of biomolecules such as peptides. In the two years, we did
(1) Construction of a new NMRE system
To realize the best experimental condition for ^<14>N observation, a triple-resonance MAS probe was purchased and tuned for our current NMR system. Further, a stabilizer for the MAS speed was developed.
(2) Theoretical calculation of indirectly observed ^<14>N lineshape
For small molecules with known ^<14>N quadrupole coupling constants, we applied ab-initio molecular orbital calculation (GAUSSIAN98) to evaluate quadrupole coupling constants.
(3) Determination of α helix and β sheet
Theoretical calculation was done for model molecules having α helix or β sheet structures to simulate ^<14>N lineshapes. It was found that these two secondary structures can be distinguished by the present ^<14>N observation. Hence, we prepared 7 peptides, whose secondary structures were known to be either α helix or β sheet. While observed ^<14>N lineshapes indicate it is possible to discriminate the secondary structures, the tendency is opposite to that predicted by ab initio calculation. Presently, we re-examine ab initio calculation.
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