Spatially resolved STD-NMR applied to the study of solute transport in biphasic systems: Application to protein-ligand interactions

Fluid biphasic systems are one of the most interesting dynamic systems in chemistry and biochemistry. In nuclear magnetic resonance (NMR) spectroscopy, the study of the solute dynamics across fluid biphasic systems requires the introduction of dedicated NMR methods, due to their intrinsic heterogene...

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Detalles Bibliográficos
Autores: Nepravishta, Ridvan, Monaco, Serena, Muñoz-García, Juan C., Khimyak, Yaroslav Z., Angulo, Jesús
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2019
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/412988
Acceso en línea:http://hdl.handle.net/10261/412988
https://api.elsevier.com/content/abstract/scopus_id/85066407693
Access Level:acceso abierto
Palabra clave:1H-NMR
Biphasic system
CEST
Interface
SR-STD NMR
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spelling Spatially resolved STD-NMR applied to the study of solute transport in biphasic systems: Application to protein-ligand interactionsNepravishta, RidvanMonaco, SerenaMuñoz-García, Juan C.Khimyak, Yaroslav Z.Angulo, Jesús1H-NMRBiphasic systemCESTInterfaceSR-STD NMRFluid biphasic systems are one of the most interesting dynamic systems in chemistry and biochemistry. In nuclear magnetic resonance (NMR) spectroscopy, the study of the solute dynamics across fluid biphasic systems requires the introduction of dedicated NMR methods, due to their intrinsic heterogeneity. Diffusion and spatially resolved NMR techniques represent a useful approach for dealing with the study of solutes in biphasic systems and have been applied lately with success. Nevertheless, other potential applications of NMR spectroscopy for biphasic systems remain to be explored. In this proof-of-concept communication, we specifically aimed to investigate whether solute exchange between two immiscible phases can be followed by NMR experiments involving transfer of magnetization. To that aim, we have used spatially resolved saturation transfer difference NMR (SR-STD NMR) experiments to analyze solute exchange by transfer of saturation from one phase to the other in a biphasic system and have explored which are the underlying mechanisms leading to the transfer of magnetization between phases and the limits of the approach. We hereby demonstrate that SR-STD NMR is feasible and that it might be implemented in pharmacological screening for binders of biological receptors or in the study of chemical and biochemical reactions occurring at interfaces.The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: J.A. supported by the Biotechnology and Biological Sciences Research Council (BBSRC) through a New Investigator grant (BB/P010660/1). R. N. and S. M. supported by BBSRC through that research grant and a UEA School of Pharmacy studentship, respectively. Y.K., J.A., and J.C.M.G. supported by the Engineering and Physical Sciences Research Council (EPSRC, EP/N033337/1).Peer reviewedSage PublicationsBiotechnology and Biological Sciences Research Council (UK)Engineering and Physical Sciences Research Council (UK)Muñoz-García, Juan C. [0000-0003-2246-3236]Angulo, Jesús [0000-0001-7250-5639]202620262019info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://hdl.handle.net/10261/412988https://api.elsevier.com/content/abstract/scopus_id/85066407693reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)InglésThe underlying dataset will be made available on request DOI: 10.1177/1934578X19849789https://doi.org/10.1177/1934578X19849789Noinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/4129882026-05-22T06:33:51Z
dc.title.none.fl_str_mv Spatially resolved STD-NMR applied to the study of solute transport in biphasic systems: Application to protein-ligand interactions
title Spatially resolved STD-NMR applied to the study of solute transport in biphasic systems: Application to protein-ligand interactions
spellingShingle Spatially resolved STD-NMR applied to the study of solute transport in biphasic systems: Application to protein-ligand interactions
Nepravishta, Ridvan
1H-NMR
Biphasic system
CEST
Interface
SR-STD NMR
title_short Spatially resolved STD-NMR applied to the study of solute transport in biphasic systems: Application to protein-ligand interactions
title_full Spatially resolved STD-NMR applied to the study of solute transport in biphasic systems: Application to protein-ligand interactions
title_fullStr Spatially resolved STD-NMR applied to the study of solute transport in biphasic systems: Application to protein-ligand interactions
title_full_unstemmed Spatially resolved STD-NMR applied to the study of solute transport in biphasic systems: Application to protein-ligand interactions
title_sort Spatially resolved STD-NMR applied to the study of solute transport in biphasic systems: Application to protein-ligand interactions
dc.creator.none.fl_str_mv Nepravishta, Ridvan
Monaco, Serena
Muñoz-García, Juan C.
Khimyak, Yaroslav Z.
Angulo, Jesús
author Nepravishta, Ridvan
author_facet Nepravishta, Ridvan
Monaco, Serena
Muñoz-García, Juan C.
Khimyak, Yaroslav Z.
Angulo, Jesús
author_role author
author2 Monaco, Serena
Muñoz-García, Juan C.
Khimyak, Yaroslav Z.
Angulo, Jesús
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Biotechnology and Biological Sciences Research Council (UK)
Engineering and Physical Sciences Research Council (UK)
Muñoz-García, Juan C. [0000-0003-2246-3236]
Angulo, Jesús [0000-0001-7250-5639]
dc.subject.none.fl_str_mv 1H-NMR
Biphasic system
CEST
Interface
SR-STD NMR
topic 1H-NMR
Biphasic system
CEST
Interface
SR-STD NMR
description Fluid biphasic systems are one of the most interesting dynamic systems in chemistry and biochemistry. In nuclear magnetic resonance (NMR) spectroscopy, the study of the solute dynamics across fluid biphasic systems requires the introduction of dedicated NMR methods, due to their intrinsic heterogeneity. Diffusion and spatially resolved NMR techniques represent a useful approach for dealing with the study of solutes in biphasic systems and have been applied lately with success. Nevertheless, other potential applications of NMR spectroscopy for biphasic systems remain to be explored. In this proof-of-concept communication, we specifically aimed to investigate whether solute exchange between two immiscible phases can be followed by NMR experiments involving transfer of magnetization. To that aim, we have used spatially resolved saturation transfer difference NMR (SR-STD NMR) experiments to analyze solute exchange by transfer of saturation from one phase to the other in a biphasic system and have explored which are the underlying mechanisms leading to the transfer of magnetization between phases and the limits of the approach. We hereby demonstrate that SR-STD NMR is feasible and that it might be implemented in pharmacological screening for binders of biological receptors or in the study of chemical and biochemical reactions occurring at interfaces.
publishDate 2019
dc.date.none.fl_str_mv 2019
2026
2026
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/412988
https://api.elsevier.com/content/abstract/scopus_id/85066407693
url http://hdl.handle.net/10261/412988
https://api.elsevier.com/content/abstract/scopus_id/85066407693
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv The underlying dataset will be made available on request DOI: 10.1177/1934578X19849789
https://doi.org/10.1177/1934578X19849789
No
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Sage Publications
publisher.none.fl_str_mv Sage Publications
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,81155

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