JAEA
  • help
  • PC | SP
  • JP | EN
          
Refine your search：     
Report No.
 - 
Clear All
Search Results: Records 1-8 displayed on this page of 8
  • 1

Presentation/Publication Type

Initialising ...

Refine

Journal/Book Title

Initialising ...

Meeting title

Initialising ...

First Author

Initialising ...

Keyword

Initialising ...

Language

Initialising ...

Publication Year

Initialising ...

Held year of conference

Initialising ...

Save select records

Journal Articles

Geometric isotope effect on the N$$_2$$H$$_{7}$$$$^{+}$$ cation and N$$_2$$H$$_{5}$$$$^{-}$$ anion by ${it ab initio}$ path integral molecular dynamics simulation

Ishibashi, Hiroaki*; Hayashi, Aiko*; Shiga, Motoyuki; Tachikawa, Masanori*

ChemPhysChem, 9(3), p.383 - 387, 2008/02

https://doi.org/10.1002/cphc.200700570
 Times Cited Count：24 Percentile：64.37(Chemistry, Physical)

no abstracts in English

Journal Articles

The H-Invitational Database (H-InvDB); A Comprehensive annotation resource for human genes and transcripts

Yamasaki, Chisato*; Murakami, Katsuhiko*; Fujii, Yasuyuki*; Sato, Yoshiharu*; Harada, Erimi*; Takeda, Junichi*; Taniya, Takayuki*; Sakate, Ryuichi*; Kikugawa, Shingo*; Shimada, Makoto*; et al.

Nucleic Acids Research, 36(Database), p.D793 - D799, 2008/01

https://doi.org/10.1093/nar/gkm999
 Times Cited Count：51 Percentile：71.25(Biochemistry & Molecular Biology)

Here we report the new features and improvements in our latest release of the H-Invitational Database, a comprehensive annotation resource for human genes and transcripts. H-InvDB, originally developed as an integrated database of the human transcriptome based on extensive annotation of large sets of fulllength cDNA (FLcDNA) clones, now provides annotation for 120 558 human mRNAs extracted from the International Nucleotide Sequence Databases (INSD), in addition to 54 978 human FLcDNAs, in the latest release H-InvDB. We mapped those human transcripts onto the human genome sequences (NCBI build 36.1) and determined 34 699 human gene clusters, which could define 34 057 protein-coding and 642 non-protein-coding loci; 858 transcribed loci overlapped with predicted pseudogenes.

Journal Articles

H/D isotope effect on the dihydrogen bond by $$ab initio$$ path integral molecular dynamics simulation

Hayashi, Aiko*; Shiga, Motoyuki; Tachikawa, Masanori*

Molecular Simulation, 33(1-2), p.185 - 188, 2007/02

https://doi.org/10.1080/08927020601052963
 Times Cited Count：3 Percentile：9.21(Chemistry, Physical)

Ab initio path integral molecular dynamics simulation has been performed to investigate the lithium-hydrogen bond and dihydrogen bond of C$$_2$$H$$_2$$$$cdot$$LiH complex. It has been found from the simulation that these unusual types of hydrogen bonds have large geometrical isotope effect which is similar to that of the conventional hydrogen bonding.

Journal Articles

H/D isotope effect on the dihydrogen bond of $${rm NH}_{4}^{+}cdots{rm BeH}_2$$ by ${it ab initio}$ path integral molecular dynamics simulation

Hayashi, Aiko*; Shiga, Motoyuki; Tachikawa, Masanori*

Journal of Chemical Physics, 125(20), p.204310_1 - 204310_7, 2006/11

https://doi.org/10.1063/1.2388257
 Times Cited Count：20 Percentile：56.31(Chemistry, Physical)

In order to investigate the H/D isotope effect on a dihydrogen bonded cation system, we have studied $${rm NH}_{4}^{+}cdots {rm BeH}_2$$ and its isotopomers by ${it ab initio}$ path integral molecular dynamics. It is found that the dihydrogen bond can be exchanged by $${rm NH_4^+}$$ rotation. The deuterated isotopomer ($${rm ND}_{4}^{+}cdots {rm BeD}_2$$; DD) can exchange the dihydrogen bond more easily than other isotopomers such as ($${rm NH}_{4}^{+}cdots {rm BeH}_2$$; HH). This unusual isotope effect is ascribed to the "quantum localization" which occurs when the effective energy barrier for the rotational mode becomes higher by the zero point energy of other modes. We also found that the binding energy of dihydrogen bonds for DD species is the smallest among the isotopomers.

Journal Articles

Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH$$_{4}$$$$^{+}$$ $$cdot$$$$cdot$$$$cdot$$ BeH$$_{2}$$

Hayashi, Aiko*; Shiga, Motoyuki; Tachikawa, Masanori*

Chemical Physics Letters, 410(1-3), p.54 - 58, 2005/07

https://doi.org/10.1016/j.cplett.2005.05.035
 Times Cited Count：10 Percentile：33.01(Chemistry, Physical)

Hydrogen bond is conventionally a bonding between hydrogen and an atom with high electronegativity such as fluorine, oxygen or nitrogen. A dihydrogen bond is an exceptional case, which is an attractive force between positively and negatively charged hydrogen atoms. In this report, some characters of the dihydrogen bond is studied in detail for the molecular cluster BeH$$_2-$$NH$$_4$$$$^+$$ using ab initio molecular dynamics simulation.

Journal Articles

Ion beam as a noble tool to induce apoptosis-like cell death in roots of maie (zea. mays L.)

Kawai, Maki; Kobayashi, Yasuhiko; Hirata, Aiko*; Ono, Yutaka; Watanabe, Hiroshi; Uchimiya, Hirofumi

Plant Biotechnology, 17(4), p.305 - 308, 2000/12

https://doi.org/10.5511/plantbiotechnology.17.305

no abstracts in English

Oral presentation

Effects of X-ray and carbon ion beam on the postnatal cerebellum in organotypic slice cultures

Yoshida, Yukari*; Suzuki, Yoshiyuki*; Takeuchi, Aiko*; Hamada, Nobuyuki*; Shirai, Katsuyuki*; Funayama, Tomoo; Sakashita, Tetsuya; Kobayashi, Yasuhiko; Ozawa, Seiji*; Nakano, Takashi*

no journal, , 

no abstracts in English

Oral presentation

Tanpopo Working Group report; Space exposure of microbes and organic materials

Yokobori, Shinichi*; Kobayashi, Kensei*; Mita, Hajime*; Yabuta, Hikaru*; Nakagawa, Kazumichi*; Narumi, Issei; Hayashi, Nobuhiro*; Tomita, Kaori*; Kawaguchi, Yuko*; Shimizu, Yasuyuki*; et al.

no journal, , 

no abstracts in English

8 (Records 1-8 displayed on this page)
  • 1