Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.chroma.2009.04.076
DC FieldValue
dc.titleSeparation of amino acids in glucose isomerase crystal: Insight from molecular dynamics simulations
dc.contributor.authorHu, Z.
dc.contributor.authorJiang, J.
dc.date.accessioned2014-06-17T07:48:51Z
dc.date.available2014-06-17T07:48:51Z
dc.date.issued2009-06-26
dc.identifier.citationHu, Z., Jiang, J. (2009-06-26). Separation of amino acids in glucose isomerase crystal: Insight from molecular dynamics simulations. Journal of Chromatography A 1216 (26) : 5122-5129. ScholarBank@NUS Repository. https://doi.org/10.1016/j.chroma.2009.04.076
dc.identifier.issn00219673
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/64577
dc.description.abstractThe separation of amino acids (Arg, Phe and Trp) in a liquid chromatography is investigated using molecular dynamics simulations. A bioorganic nanoporous material - glucose isomerase crystal - is used as the stationary phase and water as the mobile phase. The transport velocities of amino acids decrease in the order Arg > Phe > Trp, consistent with experimental measurement. The elution order is not affected by the solute concentration or by the flowing rate of mobile phase. Arg is highly hydrophilic and charged, interacts with water the most strongly, and thus moves with flowing water the fastest. Trp has the largest van der Waals volume and encounters the largest steric hindrance, leading to the slowest velocity. From the number distributions of amino acids around protein surface, Trp and Phe are found to stay closer to protein than Arg. The solvent-accessible surface areas of amino acids and the numbers of hydrogen bonds between amino acids and water further elucidate the observed velocity difference. The simulation results provide useful microscopic insight into the retention mechanisms in chromatographic separation process and suggest that glucose isomerase crystal has the capability to separate amino acids. © 2009 Elsevier B.V. All rights reserved.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1016/j.chroma.2009.04.076
dc.sourceScopus
dc.subjectAmino acids
dc.subjectGlucose isomerase crystal
dc.subjectLiquid chromatography
dc.subjectMolecular simulations
dc.typeArticle
dc.contributor.departmentCHEMICAL & BIOMOLECULAR ENGINEERING
dc.description.doi10.1016/j.chroma.2009.04.076
dc.description.sourcetitleJournal of Chromatography A
dc.description.volume1216
dc.description.issue26
dc.description.page5122-5129
dc.description.codenJCRAE
dc.identifier.isiut000267138300010
Appears in Collections:Staff Publications

Show simple item record
Files in This Item:
There are no files associated with this item.

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.