Rational design of helical architectures

Proceedings of the National Academy of Sciences of the United States of America

Volumn 106, Issue 48, 2009, Pages 20164-20167

  Chakrabarti, Dwaipayan ^a   Fejer, Szilard N ^a   Wales, David J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Anisotropic interactions; Columnar arrangements; Helix; Self assembly

Indexed keywords

DNA;

ANISOTROPY; ARCHITECTURE; ARTICLE; CHEMICAL STRUCTURE; CHIRALITY; CONCEPTUAL FRAMEWORK; DNA HELIX; DNA STRUCTURE; GENE INTERACTION; MATHEMATICAL MODEL; MOLECULAR INTERACTION; NATURAL SCIENCE; PRIORITY JOURNAL; STEREOSPECIFICITY;

DISCOIDAE;

EID: 73949088302     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.0906676106     Document Type: Article

References (32)

1. Watson JD, Crick FHC (1953) A structure for deoxyribose nuclei acid. Nature 171:737-738.
2. Adam D, et al. (1994) Fast photoconduction in the highly ordered columnar phase of a discotic liquid crystal. Nature 371:141-143.
3. Schmidt-Mende L, et al. (2001) Self-organized discotic liquid crystals for high-efficiency organic photovoltaics. Science 293:1119-1122.
4. Percec V, et al. (2002) Self-organisation of supramolecular helical dendrimers into complex electronic materials. Nature 419:384-387.
5. Goodby JW (1991) Chirality in liquid crystals. J Mater Chem 1:307-318.
6. Fontes E, Heiney PA, de Jeu WH (1988) Liquid-crystalline and helical order in a discotic mesophase. Phys Rev Lett 61:1202-1205.
7. Engelkamp H, Middelbeek S, Nolte RJM (1999) Self-assembly of disc-shaped molecules to coiled-coil aggregates with tunable helicity. Science 284:785-788.
8. Azumaya I, et al. (2004) Absolute helical arrangement of stacked benzene rings: Heterogeneous double-helical interaction comprising a hydrogen-bonding belt and an offset parallel aromatic-aromatic interaction array. Angew Chem Int Ed 43:1360-1363.
9. Wang Z, Enkelmann V, Negri F, Müllen K (2004) Rational design of helical columnar packing in single crystals. Angew Chem Int Ed 43:1972-1975.
10. Zhang S (2003) Fabrication of novel biomaterials through molecular self-assembly. Nat Biotechnol 21:1171-1178.
11. Service RF (2005) How far can we push chemical self-assembly. Science 309:95.
12. Whitesides GM, Boncheva M (2002) Beyond molecules: Self-assembly of mesoscopic and macroscopic components. Proc Natl Acad Sci USA 99:4769-4774.
13. Glotzer SC, Solomon MJ (2007) Anisotropy of building blocks and their assembly into complex structures. Nat Mater 6:557-562.
14. Wales DJ, Scheraga HA (1999) Global optimization of clusters, crystals, and biomolecules. Science 285:1368-1372.
15. Wales DJ, Doye JPK (1997) Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms. J Phys Chem A 101:5111-5116.
16. Woodley SM, Catlow R (2008) Crystal structure prediction from first principles. Nat Mater 7:937-946.
17. Zerrouki D, Boudri J, Pine D, Chaikin P, Bibette J (2008) Chiral colloidal clusters. Nature 455:380-382.
18. Chakrabarti D, Wales DJ (2009) Simulations of rigid-bodies in an angle-axis framework. Phys Chem Chem Phys 11:1970-1976.
19. Miller MA,Wales DJ (2005) Novel structural motifs in clusters of dipolar spheres: Knots, links, and coils. J Phys Chem B 109:23109-23112.
20. Dudowicz J, Freed KF, Douglas JF (2004) Flory-Huggins model of equilibrium polymerization and phase separation in the Stockmayer fluid. Phys Rev Lett 92:045502.
21. Frenkel D, Mulder BM (1985) The hard ellipsoid-of-revolution fluid. Mol Phys 55:1171-1192.
22. Paramonov L, Yaliraki SN (2005) The directional contact distance of two ellipsoids: Coarse-grained potentials for anisotropic interactions. J Chem Phys 123:194111.
23. Gay JG, Berne BJ (1981) Modification of the overlap potential to mimic a linear site-site potential. J Chem Phys 74:3316-3319.
24. Bates MA, Luckhurst GR (1996) Computer simulation studies of anisotropic systems. XXVI. Monte Carlo investigations of a Gay-Berne discotic at constant pressure. J Chem Phys 104:6696-6709.
25. Fejer SN, Wales DJ (2007) Helix self-assembly from anisotropic molecules. Phys Rev Lett 99:086106.
26. Emerson APJ, Luckhurst GR, Whatling SG (1994) Computer simulation studies of anisotropic systems XXIII. The Gay-Berne discogen. Mol Phys 82:113-124.
27. Chakrabarti D, Wales DJ (2008) Tilted and helical columnar phases for an axially symmetric discoidal system. Phys Rev Lett 100:127801.
28. Van Workum K, Douglas JF (2006) Symmetry, equivalence, and molecular self-assembly. Phys Rev E 73:031502.
29. Verl V, Huc I, Khoury RG, Krische MJ, Lehn J-M (2000) Interconversion of single and double helices formed from synthetic molecular strands. Nature 407:720-723.
30. Evans OR, Lin W (2002) Crystal engineering of NLO materials based on metal-organic coordination networks. Acc Chem Res 35:511-522.
31. Maritan A, Micheletti C, Trovato A, Banavar JR (2000) Optimal shape of compact strings. Nature 406:287-290.
32. Pokroy B, Kang SH, Mahadevan L, Aizenberg J (2009) Self-organization of a mesoscale bristle into ordered, hierarchical helical assemblies. Science 323:237-240.