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A statistical design of experiments for optimizing the MALDI-TOF-MS sample preparation of polymers. An application in the assessment of the thermo-mechanical degradation mechanisms of poly (ethylene terephthalate)

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A statistical design of experiments for optimizing the MALDI-TOF-MS sample preparation of polymers. An application in the assessment of the thermo-mechanical degradation mechanisms of poly (ethylene terephthalate)

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dc.contributor.author Badía Valiente, José David es_ES
dc.contributor.author Strömberg, Emma Marie es_ES
dc.contributor.author Ribes Greus, María Desamparados es_ES
dc.contributor.author Karlsson, Sigbritt es_ES
dc.date.accessioned 2013-07-08T12:01:07Z
dc.date.issued 2011
dc.identifier.issn 0003-2670
dc.identifier.uri http://hdl.handle.net/10251/30823
dc.description.abstract [EN] The sample preparation procedure for MALDI-TOF MS of polymers is addressed in this study by the application of a statistical Design of Experiments (DoE). Industrial poly (ethylene terephthalate) (PET) was chosen as model polymer. Different experimental settings (levels) for matrixes, analyte/matrix proportions and concentrations of cationization agent were considered. The quality parameters used for the analysis were signal-to-noise ratio and resolution. A closer inspection of the statistical results provided the study not only with the best combination of factors for the MALDI sample preparation, but also with a better understanding of the influence of the different factors, individually or in combination, to the signal. The application of DoE for the improvement of the MALDI measure of PET stated that the best combination of factors and levels was the following: matrix (dithranol), proportion analyte/matrix/cationization agent (1/15/1, V/V/V), and concentration of cationization agent (2gL -1). In a second part, multiple processing by means of successive injection cycles was used to simulate the thermo-mechanical degradation effects on the oligomeric distribution of PET under mechanical recycling. The application of MALDI-TOF-MS showed that thermo-mechanical degradation primarily affected initially predominant cyclic species. Several degradation mechanisms were proposed, remarking intramolecular transesterification and hydrolysis. The ether links of the glycol unit in PET were shown to act as potential reaction sites, driving the main reactions of degradation. © 2011 Elsevier B.V. es_ES
dc.description.sponsorship The authors would like to acknowledge the Spanish Ministry of Science and Innovation for the financial support through the Research Project UPOVCE-3E-013. The Spanish Ministry for Education is acknowledged for the concession of a predoctoral research position to J.D. Badia by means of the FPU program. Catalana de Polimers, S.A. and AIMPLAS are acknowledged for providing and processing the material, respectively. Royal Institute of Technology (KTH, Sweden) and Universitat Politecnica de Valencia (UPV, Spain) are also thanked for additional economical support. en_EN
dc.language Inglés es_ES
dc.publisher ELSEVIER SCIENCE BV es_ES
dc.relation Spanish Ministry of Science and Innovation [UPOVCE-3E-013] es_ES
dc.relation Royal Institute of Technology (KTH, Sweden) es_ES
dc.relation Universitat Politecnica de Valencia (UPV, Spain) es_ES
dc.relation.ispartof ANALYTICA CHIMICA ACTA es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Design of Experiments es_ES
dc.subject Mass spectrometry es_ES
dc.subject Matrix-assisted laser desorption/ionization time-of-flight es_ES
dc.subject Poly (ethylene terephthalate) es_ES
dc.subject Recycling es_ES
dc.subject Thermo-mechanical degradation es_ES
dc.subject Cationization es_ES
dc.subject Degradation mechanism es_ES
dc.subject Glycol units es_ES
dc.subject Injection cycles es_ES
dc.subject MALDI TOF MS es_ES
dc.subject Matrix es_ES
dc.subject Mechanical recycling es_ES
dc.subject Multiple processing es_ES
dc.subject Potential reactions es_ES
dc.subject Quality parameters es_ES
dc.subject Sample preparation es_ES
dc.subject Sample preparation procedure es_ES
dc.subject Signal to noise es_ES
dc.subject Statistical design of experiments es_ES
dc.subject Degradation es_ES
dc.subject Desorption es_ES
dc.subject Ethers es_ES
dc.subject Ethylene es_ES
dc.subject Glycols es_ES
dc.subject Inductively coupled plasma es_ES
dc.subject Mechanisms es_ES
dc.subject Oligomers es_ES
dc.subject Polymers es_ES
dc.subject Signal to noise ratio es_ES
dc.subject Polyethylene terephthalates es_ES
dc.subject Dithranol es_ES
dc.subject Polyethylene terephthalate es_ES
dc.subject Article es_ES
dc.subject Controlled study es_ES
dc.subject Degradation kinetics es_ES
dc.subject Hydrolysis es_ES
dc.subject Matrix assisted laser desorption ionization time of flight mass spectrometry es_ES
dc.subject Priority journal es_ES
dc.subject Process optimization es_ES
dc.subject Signal noise ratio es_ES
dc.subject Simulation es_ES
dc.subject Transesterification es_ES
dc.subject.classification MAQUINAS Y MOTORES TERMICOS es_ES
dc.title A statistical design of experiments for optimizing the MALDI-TOF-MS sample preparation of polymers. An application in the assessment of the thermo-mechanical degradation mechanisms of poly (ethylene terephthalate) es_ES
dc.type Artículo es_ES
dc.embargo.lift 10000-01-01
dc.embargo.terms forever es_ES
dc.identifier.doi 10.1016/j.aca.2011.02.063
dc.rights.accessRights Cerrado es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Máquinas y Motores Térmicos - Departament de Màquines i Motors Tèrmics es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto de Tecnología de Materiales - Institut de Tecnologia de Materials es_ES
dc.description.bibliographicCitation Badía Valiente, JD.; Strömberg, EM.; Ribes Greus, MD.; Karlsson, S. (2011). A statistical design of experiments for optimizing the MALDI-TOF-MS sample preparation of polymers. An application in the assessment of the thermo-mechanical degradation mechanisms of poly (ethylene terephthalate). ANALYTICA CHIMICA ACTA. 692(1):85-95. doi:10.1016/j.aca.2011.02.063 es_ES
dc.description.accrualMethod Senia es_ES
dc.relation.publisherversion http://dx.doi.org/10.1016/j.aca.2011.02.063 es_ES
dc.description.upvformatpinicio 85 es_ES
dc.description.upvformatpfin 95 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 692 es_ES
dc.description.issue 1 es_ES
dc.relation.senia 212675


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