title: Dynamic Properties of DNA-Programmable Nanoparticle Crystallization.
abstract: The dynamics of DNA hybridization is very important in DNA-programmable nanoparticle crystallization. Here, coarse-grained molecular dynamics is utilized to explore the structural and dynamic properties of DNA hybridizations for a self-complementary DNA-directed nanoparticle self-assembly system. The hexagonal close-packed (HCP) and close-packed face-centered cubic (FCC) ordered structures are identified for the systems of different grafted DNA chains per nanoparticle, which are in good agreement with the experimental results. Most importantly, the dynamic crystallization processes of DNA hybridizations are elucidated by virtue of the mean square displacement, the percentage of hybridizations, and the lifetime of DNA bonds. The lifetime can be modeled by the DNA dehybridization, which has an exponential form. The lifetime of DNA bonds closely depends on the temperature. A suitable temperature for the DNA-nanoparticle crystallization is obtained in the work. Moreover, a too large volume fraction hinders the self-assembly process due to steric effects. This work provides some essential information for future design of nanomaterials.
authors.affiliation: Key Laboratory of High Performance Polymer Material and Technology of Ministry of Education, State Key Laboratory of Coordination Chemistry and Collaborative Innovation Center of Chemistry for Life Sciences, Department of Polymer Science and Engineering, School of Chemistry and Chemical Engineering, Nanjing University , Nanjing 210023, China.
authors.forename: Qiuyan
authors.initials: Q
authors.lastname: Yu
authors.affiliation: Key Laboratory of High Performance Polymer Material and Technology of Ministry of Education, State Key Laboratory of Coordination Chemistry and Collaborative Innovation Center of Chemistry for Life Sciences, Department of Polymer Science and Engineering, School of Chemistry and Chemical Engineering, Nanjing University , Nanjing 210023, China.
authors.forename: Xuena
authors.initials: X
authors.lastname: Zhang
authors.affiliation: Key Laboratory of High Performance Polymer Material and Technology of Ministry of Education, State Key Laboratory of Coordination Chemistry and Collaborative Innovation Center of Chemistry for Life Sciences, Department of Polymer Science and Engineering, School of Chemistry and Chemical Engineering, Nanjing University , Nanjing 210023, China.
authors.forename: Yi
authors.initials: Y
authors.lastname: Hu
authors.affiliation: Key Laboratory of High Performance Polymer Material and Technology of Ministry of Education, State Key Laboratory of Coordination Chemistry and Collaborative Innovation Center of Chemistry for Life Sciences, Department of Polymer Science and Engineering, School of Chemistry and Chemical Engineering, Nanjing University , Nanjing 210023, China.
authors.forename: Zhihao
authors.initials: Z
authors.lastname: Zhang
authors.affiliation: Key Laboratory of High Performance Polymer Material and Technology of Ministry of Education, State Key Laboratory of Coordination Chemistry and Collaborative Innovation Center of Chemistry for Life Sciences, Department of Polymer Science and Engineering, School of Chemistry and Chemical Engineering, Nanjing University , Nanjing 210023, China.
authors.forename: Rong
authors.initials: R
authors.lastname: Wang
mesh_terms: D003460:Crystallization; D004247:DNA; D053758:Nanoparticles; D049329:Nanostructures; D009693:Nucleic Acid Hybridization
chemical_list: D004247:DNA
keywords: DNA; crystallization; dynamic; nanoparticle; structure