http://www.cnr.it/ontology/cnr/individuo/prodotto/ID199587
Self-assembly of short DNA duplexes: from a coarse-grained model to experiments through a theoretical link (Articolo in rivista)
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- Self-assembly of short DNA duplexes: from a coarse-grained model to experiments through a theoretical link (Articolo in rivista) (literal)
- Anno
- 2012-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1039/c2sm25845e (literal)
- Alternative label
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Cristiano De Michele (a); Lorenzo Rovigatti (b); Tommaso Bellini (c); Francesco Sciortino (d) (literal)
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- http://pubs.rsc.org/en/content/articlehtml/2012/sm/c2sm25845e (literal)
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- ISI Web of Science (WOS) (literal)
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- (a) Dipartimento di Fisica, \"Sapienza\" Università di Roma, P.le A. Moro 2, Roma, I-00185, Italy. E-mail: cristiano.demichele@roma1.infn.it; Fax: +39 06463158; Tel: +39 0649913524
(b) Dipartimento di Fisica, \"Sapienza\" Università di Roma, P.le A. Moro 2, Roma, I-00185, Italy
(c) Dipartimento di Biotecnologie Mediche e Medicina Traslazionale, Università di Milano, I-20122 Milano, Italy
(d) Dipartimento di Fisica, and CNR-ISC, \"Sapienza\" Università di Roma, P.le A. Moro 2, 00185 Roma, Italy (literal)
- Titolo
- Self-assembly of short DNA duplexes: from a coarse-grained model to experiments through a theoretical link (literal)
- Abstract
- Short blunt-ended DNA duplexes comprising 6 to 20 base pairs self-assemble into polydisperse semi-flexible chains due to hydrophobic stacking interactions between terminal base pairs. Above a critical concentration, which depends on temperature and duplex length, such chains order into liquid crystal phases. Here, we investigate the self-assembly of such double-helical duplexes with a combined numerical and theoretical approach. We simulate the bulk system employing the coarse-grained DNA model recently proposed by Ouldridge et al. [J. Chem. Phys., 2011, 134, 08501]. Then we evaluate the input quantities for the theoretical framework directly from the DNA model. The resulting parameter-free theoretical predictions provide an accurate description of the simulation results in the isotropic phase and theoretical values for the isotropic-nematic phase boundaries which are in line with experimental findings. In addition, the developed theoretical framework makes it possible to provide a route to estimate the stacking free energy. (literal)
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