000148481 001__ 148481
000148481 005__ 20250923084443.0
000148481 0247_ $$2doi$$a10.1021/acsapm.4c03030
000148481 0248_ $$2sideral$$a141858
000148481 037__ $$aART-2024-141858
000148481 041__ $$aeng
000148481 100__ $$aPaiva, Robert
000148481 245__ $$aHow Carbodiimide Modulates Oligomer Migration and Molar Mass in Recycled Poly(lactic acid): A Study Using UPLC-QTOF-MS<sup>E</sup>
000148481 260__ $$c2024
000148481 5060_ $$aAccess copy available to the general public$$fUnrestricted
000148481 5203_ $$aThe recycling of polymers for direct food contact faces initial challenges due to the loss of molar mass and the generation of Non-Intentionally Added Substances (NIAS), among which oligomers are prominent. In this study, carbodiimide (CDI) was employed as an antihydrolysis agent and chain extender to prevent oligomer formation in the recycling of poly(lactic acid) (PLA). Mechanical recycling was performed on wet and dried PLA with varying concentrations of CDI using corotating intermeshing twin-screw extrusion. CDI contributed to the increase in polymer molar mass and influenced the kinetics of its nonquiescent crystallization. Moisture played a key role in this process, as CDI can react either with water molecules, preventing hydrolytic degradation, or with available sites on the PLA molecule, resulting in increased molar mass and a decrease in the oligomer content. Oligomer migration tests were conducted using three food simulants: ethanol 10%, acetic acid 3%, and ethanol 95%. Ultraperformance liquid chromatography coupled with a quadrupole time-of-flight mass spectrometer was utilized for qualitative and quantitative PLA oligomer analyses. Electronic structure calculations based on the GFN-xTB Hamiltonian were employed for structural optimizations and energies to understand migration and interaction processes in the described systems. Sixteen different PLA oligomers were detected in the food simulant samples. Linear oligomers were identified in all simulants, while cyclic were detected mainly in the 95% ethanol simulant. The antihydrolysis and chain-extending effects of CDI in recycled PLA reduced the total oligomer concentration in both wet and dry samples, improving the physicochemical properties of PLA and ensuring food safety.
000148481 536__ $$9info:eu-repo/grantAgreement/ES/DGA-FSE/T53-20R
000148481 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000148481 590__ $$a4.7$$b2024
000148481 592__ $$a0.981$$b2024
000148481 591__ $$aPOLYMER SCIENCE$$b23 / 94 = 0.245$$c2024$$dQ1$$eT1
000148481 593__ $$aOrganic Chemistry$$c2024$$dQ1
000148481 591__ $$aMATERIALS SCIENCE, MULTIDISCIPLINARY$$b150 / 460 = 0.326$$c2024$$dQ2$$eT1
000148481 593__ $$aPolymers and Plastics$$c2024$$dQ1
000148481 593__ $$aProcess Chemistry and Technology$$c2024$$dQ2
000148481 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000148481 700__ $$aBonatti, Sophia H. F.
000148481 700__ $$aEstremera, Carlos
000148481 700__ $$0(orcid)0000-0003-2052-3012$$aWrona, Magdalena$$uUniversidad de Zaragoza
000148481 700__ $$aRamos, Vania Martins
000148481 700__ $$ade Lima Batista, Ana Paula
000148481 700__ $$aStaffa, Lucas H.
000148481 700__ $$0(orcid)0000-0003-2685-5739$$aNerín, Cristina$$uUniversidad de Zaragoza
000148481 700__ $$aCruz, Sandra A.
000148481 7102_ $$12009$$2750$$aUniversidad de Zaragoza$$bDpto. Química Analítica$$cÁrea Química Analítica
000148481 773__ $$g6, 24 (2024), 15230-15241$$pACS appl. polymer. mater.$$tACS applied polymer materials$$x2637-6105
000148481 8564_ $$s5731695$$uhttps://zaguan.unizar.es/record/148481/files/texto_completo.pdf$$yVersión publicada
000148481 8564_ $$s3309377$$uhttps://zaguan.unizar.es/record/148481/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000148481 909CO $$ooai:zaguan.unizar.es:148481$$particulos$$pdriver
000148481 951__ $$a2025-09-22-14:52:31
000148481 980__ $$aARTICLE