Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Coassembly of Poly(N-isopropylacrylamide) with Dodecyl and Carboxyl Terminal Groups with Cationic Surfactant: Critical Comparison of Experimental and Simulation Data
Δημιουργός/Συγγραφέας:	Fanova A. Šindelka K. Uchman M. Limpouchová Z. Filippov S.K. [EL] Πίσπας, Στέργιος[EN] Pispas, Stergios Procházka K. Štěpánek M.
Εκδότης:	American Chemical Society
Ημερομηνία:	2018
Γλώσσα:	Αγγλικά
ISSN:	0024-9297
DOI:	10.1021/acs.macromol.8b01161
Περίληψη:	Comicellization of poly(N-isopropylacrylamide) with dodecyl and carboxyl terminal groups (mPNIPAm) with cationic surfactant N-dodecylpyridinium chloride was studied by scattering techniques (light scattering, SAXS), isothermal titration calorimetry, fluorescence spectroscopy, and coarse-grained simulations using dissipative particle dynamics (DPD) as a function of charge ratio of N-dodecylpyridinium (DP+) ions to mPNIPAm terminal carboxylate groups, Z = [DP+]/[COO-]. While both experimental results and DPD data indicate that up to Z = 2 tails of the surfactant enter and swell the dodecyl core of mPNIPAm micelles, the further increase in the size of the core for Z > 2 caused by the dehydration and collapse of inner parts of PNIPAm chains observed by SAXS is not reproduced by DPD simulations. Nevertheless, the study demonstrates that the simplified coarse-grained model can account for hydrogen bonding and elucidate the mechanism of comicellization. The study shows that the electrostatic interactions modify appreciably the behavior of mPNIPAm, but the assembly with cationic surfactant is governed by hydrophobic interactions.
Τίτλος πηγής δημοσίευσης:	Macromolecules
Τόμος/Κεφάλαιο:	51
Τεύχος:	18
Σελίδες:	7295-7308
Θεματική Κατηγορία:	[EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry [EL] Φασματοσκοπία[EN] Spectroscopy
Αξιολόγηση από ομότιμους (peer reviewed):	Ναι
Κάτοχος πνευματικών δικαιωμάτων:	© 2018 American Chemical Society.
Σημειώσεις:	UNCE/SCI/014; European Synchrotron Radiation Facility, ESRF: SC-4621; Ministerstvo Školství, Mládeže a Tělovýchovy, MŠMT: CZ.02.1.01/0.0/0.0/15_003/ 0000417-CUCAM; Grantová Agentura České Republiky, GA ČR: 16-12291S, 17-00289Y This work has been supported by the Ministry of Education, Youth and Sports of the Czech Republic (Operational Programme Research, Development and Education: “Excellent Research Teams”, Project No. CZ.02.1.01/0.0/0.0/15_003/ 0000417-CUCAM), by the Charles University Research Centre (Programme No. UNCE/SCI/014), and by the Czech Science Foundation (Grants 16-12291S and 17-00289Y). The authors thank the European Synchrotron Radiation Facility (ESRF), Grenoble, France, for granting SAXS beam time (Project No. SC-4621 at the ID02 beamline). The help of Dr. Alessandro Mariani at the ID02 is also gratefully acknowledged. Computational resources were provided by the CESNET LM2015042 and the CERIT Scientific Cloud LM2015085, provided under the programme “Projects of Large Research, Development, and Innovations Infrastructures”.
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο