Quantitative in silico analysis of the selectivity of graphitic carbon synthesized by different methods.

Quantitative in silico analysis of the selectivity of graphitic carbon synthesized by different methods. Research Abstract Details 

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Quantitative in silico analysis of the selectivity of graphitic carbon synthesized by different methods. Abstract Text:

Toshihiko Hanai,Hiroshi Homma,Toshihiko Hanai,Hiroshi Homma,Toshihiko Hanai,Hiroshi Homma,

Molecular interaction energy (MI) values calculated by molecular mechanics (MM2) using a model graphitic carbon phase were used for studying the selectivity of different types of graphitic carbon columns. The MI values well correlated with logk values measured on a graphitic carbon synthesized from 100% organic materials (r = 0.961, n = 13) but not with logk values measured on a graphitic carbon synthesized using silica matrix (r = 0.558, n = 17). The latter logk values correlated well with the hydrogen bonding energy values calculated using a model silica phase (r = 0.856, n = 17). The reason for the poor correlation of the logk values measured on the latter graphitic carbon is that the silica matrix might not be completely eliminated in the production process.

Quantitative in silico analysis of the selectivity of graphitic carbon synthesized by different methods. Publishing Authors By Initials

T Hanai,H Homma,T Hanai,H Homma,T Hanai,H Homma,

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Quantitative in silico analysis of the selectivity of graphitic carbon synthesized by different methods. Journal Published:

PUBLICATION TYPE: Journal Article

Journal: Analytical and bioanalytical chemistry

VOLUME: 390

Page Numbers: 369-75

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ISSN: 1618-2650

DAY: 24

MONTH: 10

YEAR: 2007

Quantitative in silico analysis of the selectivity of graphitic carbon synthesized by different methods. Information

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LANGUAGE: eng

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Grant and Affiliation Information for Quantitative in silico analysis of the selectivity of graphitic carbon synthesized by different methods.

AFFILIATION: Health Research Foundation, Institut Pasteur 5F, Sakyo-ku, Kyoto, 606-8225, Japan, thanai@attglobal.net.

Country: Germany

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MEDLINETA: Anal Bioanal Chem

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