Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/159312
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dc.contributor.authorMa, Yunqiaoen_US
dc.contributor.authorZydney, Andrew L.en_US
dc.contributor.authorChew, Jia Weien_US
dc.date.accessioned2022-06-13T05:54:48Z-
dc.date.available2022-06-13T05:54:48Z-
dc.date.issued2021-
dc.identifier.citationMa, Y., Zydney, A. L. & Chew, J. W. (2021). Membrane fouling by lysozyme: effect of local interaction. AIChE Journal, 67(7), e17212-. https://dx.doi.org/10.1002/aic.17212en_US
dc.identifier.issn0001-1541en_US
dc.identifier.urihttps://hdl.handle.net/10356/159312-
dc.description.abstractMolecular dynamics simulations were performed to understand the adsorption of positive-charged lysozyme onto negative-charged polyvinylidene fluoride membrane at three pH and two ionic strengths. The lysozyme was initialized at six orientations at 10 Å from the membrane and adsorption was deemed to occur when the lysozyme is less than 4 Å from the membrane. Local interactions are clearly important: (i) despite opposite net charges, no adsorption occurs in some cases throughout; (ii) lysozyme-membrane separation distances differ among the initial orientations of lysozyme; and (iii) the correlation between lysozyme-membrane interaction energy and adsorption probability is poor. Correspondingly, seven key local adsorption sites on lysozyme were identified. Of the two most common sites, one anchors due to electrostatics, while the other is not electrostatics-based. Also, different sites are dominant in different feed conditions and have different interaction energies. These results reveal the importance of local interactions in membrane fouling by proteins in different feed conditions.en_US
dc.description.sponsorshipAgency for Science, Technology and Research (A*STAR)en_US
dc.description.sponsorshipEconomic Development Board (EDB)en_US
dc.description.sponsorshipMinistry of Education (MOE)en_US
dc.language.isoenen_US
dc.relationA20B3a0070en_US
dc.relationA2083c0049en_US
dc.relation2019-T1-002-065en_US
dc.relation.ispartofAIChE Journalen_US
dc.rights© 2021 American Institute of Chemical Engineers. All rights reserved.en_US
dc.subjectEngineering::Chemical engineeringen_US
dc.titleMembrane fouling by lysozyme: effect of local interactionen_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Chemical and Biomedical Engineeringen_US
dc.contributor.researchNanyang Environment and Water Research Instituteen_US
dc.identifier.doi10.1002/aic.17212-
dc.identifier.scopus2-s2.0-85100738568-
dc.identifier.issue7en_US
dc.identifier.volume67en_US
dc.identifier.spagee17212en_US
dc.subject.keywordsAdsorption Angleen_US
dc.subject.keywordsInterfacial Interaction Energyen_US
dc.description.acknowledgementThis work was supported by the Singapore GSK (GlaxoSmithKline)—EDB (Economic Development Board, Singapore) Trust Fund, A*STAR (Singapore) Advanced Manufacturing and Engineering (AME) under its Pharma Innovation Programme Singapore (PIPS) program (A20B3a0070) and Individual Research Grant (IME) program (A2083c0049), and the Singapore Ministry of Education Tier 1 Grant (2019-T1-002-065). The computations were fully performed on resources of the National Super-computing Centre, Singapore (https://www.nscc.sg).en_US
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item.grantfulltextnone-
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