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dc.contributor.author
Schwaighofer, Andreas
dc.contributor.author
Alcaraz, Mirta Raquel
dc.contributor.author
Lux, Laurin
dc.contributor.author
Lendl, Bernhard
dc.date.available
2022-10-24T20:15:55Z
dc.date.issued
2020-02
dc.identifier.citation
Schwaighofer, Andreas; Alcaraz, Mirta Raquel; Lux, Laurin; Lendl, Bernhard; pH titration of β-lactoglobulin monitored by laser-based Mid-IR transmission spectroscopy coupled to chemometric analysis; Elsevier; Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy; 226; 2-2020; 1-31
dc.identifier.issn
1386-1425
dc.identifier.uri
http://hdl.handle.net/11336/174663
dc.description.abstract
A novel external cavity-quantum cascade laser (EC-QCL)-based setup for mid-IR transmission spectroscopy in the amide I and amide II region was employed for monitoring pH-induced changes of protein secondary structure. pH titration of β-lactoglobulin revealed unfolding of the native β-sheet secondary structure occurring at basic pH. Chemometric analysis of the dynamic IR spectra was performed by multivariate curve resolution-alternating least squares (MCR-ALS). Using this approach, spectral and abundance distribution profiles of the conformational transition were obtained. A proper post-processing procedure was implemented allowing to extract information about pure protein spectra and spurious signals that may interfere in the interpretation of the system. This work demonstrates the potential and versatility of the EC-QCL-based IR transmission setup for flow-through applications, benefitting from the high available optical path length.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.subject
CHEMOMETRICS
dc.subject
MID-INFRARED
dc.subject
PH TITRATION
dc.subject
PROTEIN STRUCTURE
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QUANTUM CASCADE LASER
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Β-LACTOGLOBULIN
dc.subject.classification
Química Analítica
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
pH titration of β-lactoglobulin monitored by laser-based Mid-IR transmission spectroscopy coupled to chemometric analysis
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2022-09-22T15:22:02Z
dc.journal.volume
226
dc.journal.pagination
1-31
dc.journal.pais
Países Bajos
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Schwaighofer, Andreas. Technische Universitat Wien; Austria
dc.description.fil
Fil: Alcaraz, Mirta Raquel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina. Universidad Nacional del Litoral. Facultad de Bioquímica y Ciencias Biológicas. Laboratorio de Desarrollo Analítico y Quimiometría; Argentina
dc.description.fil
Fil: Lux, Laurin. Technische Universitat Wien; Austria
dc.description.fil
Fil: Lendl, Bernhard. Technische Universitat Wien; Austria
dc.journal.title
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S1386142519310261
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.saa.2019.117636
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