New Approaches to the Fragmentation Theory for Peptide Analyses Using Mass Spectrometry: Fragmentation of Metal-Polypeptide Complexes and Fungal Metabolites
| Project/Area Number |
24619003
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
オミクス計測科学
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| Research Institution | Nara Women's University |
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Principal Investigator |
TAKAE Takeuchi 奈良女子大学, 自然科学系, 准教授 (80201606)
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| Co-Investigator(Kenkyū-buntansha) |
SUZUKI Takahito 奈良女子大学, 古代学学術研究センター, 特任教授 (60144135)
AKASHI Tomohiro 名古屋大学, 大学院医学系研究科, 助教 (00222513)
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| Project Period (FY) |
2012-04-01 – 2015-03-31
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| Project Status |
Completed (Fiscal Year 2014)
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| Budget Amount *help |
¥5,720,000 (Direct Cost: ¥4,400,000、Indirect Cost: ¥1,320,000)
Fiscal Year 2014: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2013: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2012: ¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
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| Keywords | フラグメンテーション理論 / 質量分析 / カビ代謝物質 / 電子移動解離 / 金属ペプチド / イオンモビリティ― / 多変量解析 / セスキテルペン / MVOC / カビ種同定 / イオンモビリティー / ソフトウェア / リン酸化ペプチド / On-Resonance CID / ab initio DFT計算 / RRKM理論計算 / ポテンシャルエネルギー超曲面 / RRKM計算 / フラグメント分子軌道計算 |
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| Outline of Final Research Achievements |
1. New approaches to the fragmentation theory for peptide analyses using Mass Spectrometry were performed. To address the general mechanism of ETD on peptide, the electron transfer dissociation process of the Zn2+-histidine oligomer complexes in the absence of remote protons was investigation with the ab initio DFT and the statistical RRKM theory.
2. Software, named MVOC Finder, for fungal species identification based on multivariate statistical analysis of IMS and GC-MS spectral data of MVOC was created. The function of this software is to detect and identify fungal species using atmospheric samples in order to quicken the detection process. In addition, the software can predict the ion mobility drift time of molecular ions from molecular geometries.
3. Microbial volatile organic compounds (MVOC) emitted from Aspergillus nidulans were investigated and the effects of modified expression of some sesquiterpene biosynthesis genes in the genome of A. nidulans were analyzed.
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Report
(4 results)
Research Products
(64 results)
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[Journal Article] Structural, Photophysical, and Mesomorphic Properties of Luminescent2012
Author(s)
Y. Abe, Y. Takagi, M. Nakamura, T. Takeuchi, T. Tanase, M. Yokokawa, H. Mukai, T. Megumi, A. Hachisuga, and K. Ohta
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Journal Title
Inorganica Chimica Acta
Volume: (in press)
Pages: 254-260
DOI
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Peer Reviewed
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[Book] 微生物の簡易迅速検査法2013
Author(s)
江崎孝行, 高鳥浩介, 土戸哲明監修(pp. 483-489 執筆者名 鈴木孝仁, 木内正人, 竹内孝江)
Total Pages
758
Publisher
株式会社テクノシステム
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