Characteristics of Surface Diffusion and Effective Pore Diffusion in Reversed-Phase Liquid Chromatography from Molecular Dynamics Simulations

High Performance Computing in Science and Engineering '19 ◽

10.1007/978-3-030-66792-4_7 ◽

2021 ◽

pp. 105-116

Author(s):

Julia Rybka ◽

Alexandra Höltzel ◽

Nicole Trebel ◽

Ulrich Tallarek

Keyword(s):

Molecular Dynamics ◽

Liquid Chromatography ◽

Molecular Dynamics Simulations ◽

Surface Diffusion ◽

Reversed Phase ◽

Pore Diffusion ◽

Reversed Phase Liquid Chromatography ◽

Phase Liquid ◽

Dynamics Simulations

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Molecular Dynamics Study of the Relation between Analyte Retention and Surface Diffusion in Reversed-Phase Liquid Chromatography

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b11983 ◽

2019 ◽

Vol 123 (6) ◽

pp. 3672-3681 ◽

Author(s):

Julia Rybka ◽

Alexandra Höltzel ◽

Andreas Steinhoff ◽

Ulrich Tallarek

Keyword(s):

Molecular Dynamics ◽

Liquid Chromatography ◽

Surface Diffusion ◽

Reversed Phase ◽

Reversed Phase Liquid Chromatography ◽

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Influence of mobile phase composition on surface diffusion in reversed-phase liquid chromatography

Journal of Chromatography A ◽

10.1016/j.chroma.2008.04.054 ◽

2008 ◽

Vol 1194 (2) ◽

pp. 184-191 ◽

Author(s):

Kanji Miyabe

Keyword(s):

Liquid Chromatography ◽

Phase Composition ◽

Surface Diffusion ◽

Mobile Phase ◽

Reversed Phase ◽

Reversed Phase Liquid Chromatography ◽

Mobile Phase Composition ◽

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Sequence-dependent separation of trinucleotides by ion-interaction reversed-phase liquid chromatography—A structure-retention study assisted by soft-modelling and molecular dynamics

Journal of Chromatography A ◽

10.1016/j.chroma.2016.09.060 ◽

2016 ◽

Vol 1469 ◽

pp. 88-95 ◽

Author(s):

Kamil Mikulášek ◽

Kamil S. Jaroň ◽

Petr Kulhánek ◽

Miroslava Bittová ◽

Jan Havliš

Keyword(s):

Molecular Dynamics ◽

Liquid Chromatography ◽

Reversed Phase ◽

Reversed Phase Liquid Chromatography ◽

Sequence Dependent ◽

Phase Liquid ◽

Structure Retention ◽

Retention Study

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Surface diffusion in reversed-phase liquid chromatography using silica gel stationary phases of different C1 and C18 ligand densities

Journal of Chromatography A ◽

10.1016/j.chroma.2007.08.045 ◽

2007 ◽

Vol 1167 (2) ◽

pp. 161-170 ◽

Author(s):

Kanji Miyabe

Keyword(s):

Liquid Chromatography ◽

Surface Diffusion ◽

Stationary Phases ◽

Reversed Phase ◽

Reversed Phase Liquid Chromatography ◽

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Thermodynamic Characteristics of Surface Diffusion in Reversed-Phase Liquid Chromatography

The Journal of Physical Chemistry B ◽

10.1021/jp991725w ◽

1999 ◽

Vol 103 (50) ◽

pp. 11086-11097 ◽

Author(s):

Kanji Miyabe ◽

Georges Guiochon

Keyword(s):

Liquid Chromatography ◽

Surface Diffusion ◽

Thermodynamic Characteristics ◽

Reversed Phase ◽

Reversed Phase Liquid Chromatography ◽

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Estimation of Surface Diffusion Coefficient in Reversed-Phase Liquid Chromatography Using Methanol/Water Mobile Phases.

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN ◽

10.1252/jcej.31.347 ◽

1998 ◽

Vol 31 (3) ◽

pp. 347-354 ◽

Author(s):

Kanji Miyabe ◽

Shigeya Takeuchi ◽

Yoshisato Tezuka

Keyword(s):

Diffusion Coefficient ◽

Liquid Chromatography ◽

Surface Diffusion ◽

Reversed Phase ◽

Reversed Phase Liquid Chromatography ◽

Surface Diffusion Coefficient ◽

Mobile Phases ◽

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Surface diffusion in reversed-phase liquid chromatography

Journal of Chromatography A ◽

10.1016/j.chroma.2009.12.054 ◽

2010 ◽

Vol 1217 (11) ◽

pp. 1713-1734 ◽

Author(s):

Kanji Miyabe ◽

Georges Guiochon

Keyword(s):

Liquid Chromatography ◽

Surface Diffusion ◽

Reversed Phase ◽

Reversed Phase Liquid Chromatography ◽

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Molecular Dynamics Simulation of the Effects of Mobile‐Phase Modification on Interactions in Reversed‐Phase Liquid Chromatography

Journal of Liquid Chromatography &amp Related Technologies ◽

10.1080/10826070600915122 ◽

2006 ◽

Vol 29 (17) ◽

pp. 2559-2569 ◽

Author(s):

Xiao Dou ◽

Hua Wang ◽

Jinyu Han

Keyword(s):

Molecular Dynamics ◽

Liquid Chromatography ◽

Molecular Dynamics Simulation ◽

Mobile Phase ◽

Reversed Phase ◽

Dynamics Simulation ◽

Reversed Phase Liquid Chromatography ◽

Phase Modification ◽

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A Molecular Dynamics Study of a Reversed-Phase Liquid Chromatography Model

The Journal of Physical Chemistry B ◽

10.1021/jp984003y ◽

1999 ◽

Vol 103 (8) ◽

pp. 1354-1362 ◽

Author(s):

Joseph T. Slusher ◽

Raymond D. Mountain

Keyword(s):

Molecular Dynamics ◽

Liquid Chromatography ◽

Reversed Phase ◽

Reversed Phase Liquid Chromatography ◽

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Analysis of the Surface Diffusion of Alkylbenzenes andp-Alkylphenols in Reversed-Phase Liquid Chromatography Using the Surface-Restricted Molecular Diffusion Model

Analytical Chemistry ◽

10.1021/ac001477w ◽

2001 ◽

Vol 73 (13) ◽

pp. 3096-3106 ◽

Author(s):

Kanji Miyabe ◽

Georges Guiochon

Keyword(s):

Liquid Chromatography ◽

Surface Diffusion ◽

Diffusion Model ◽

Molecular Diffusion ◽

Reversed Phase ◽

Reversed Phase Liquid Chromatography ◽

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