Preparation, structure, and a coarse-grained molecular dynamics model for dodecanethiol-stabilized gold nanoparticles

Computational and Theoretical Chemistry

Volumn 977, Issue 1-3, 2011, Pages 34-39

  Kyrychenko, Alexander ^a,b,c   Karpushina, Galina V ^a   Bogatyrenko, Sergey I ^a   Kryshtal, Alexander P ^a   Doroshenko, Andrey O ^a,b,c  

^a V N KARAZIN KHARKIV NATIONAL UNIVERSITY   (Ukraine)

^b Ukrainian American Laboratory of Computational Chemistry   (Ukraine)

^c Ukrainian American Laboratory of Computational Chemistry   (United States)

Author keywords

Coarse grained model; Dodecanethiol; Gold nanoparticle; Molecular dynamics simulation; Nanostructures

Indexed keywords

EID: 84555218596     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.09.003     Document Type: Article

References (28)

1. Daniel M.-C., Astruc D. Gold nanoparticles: assembly, supramolecular chemistry, quantum-size-related properties, and applications toward biology, catalysis, and nanotechnology. Chem. Rev. 2004, 104:293-346.
2. Neouze M.-A., Schubert U. Surface modification and functionalization of metal and metal oxide nanoparticles by organic ligands. Monatsh. Chem. 2008, 139:183-195.
3. de Dios A.S., Díaz-García M.E. Multifunctional nanoparticles: analytical prospects. Anal. Chim. Acta 2010, 666:1-22.
4. Sperling R.A., Gil P.R., Zhang F., Zanella M., Parak W.J. Biological applications of gold nanoparticles. Chem. Soc. Rev. 2008, 37:1896-1908.
5. Zhang S., Leem G., Lee T.R. Monolayer-protected gold nanoparticles prepared using long-chain alkanethioacetates. Langmuir 2009, 25:13855-13860.
6. CORE ≈ 1.5 nm) phosphine-stabilized gold nanoparticles. J. Am. Chem. Soc. 2000, 122:12890-12891.
7. Peterle T., Leifert A., Timper J., Sologubenko A., Simon U., Mayor M. Multidentate thioether ligands coating gold nanoparticles. Chem. Commun. 2008, 3438-3440.
8. George Thomas K., Zajicek J., Kamat Prashant V. Surface binding properties of tetraoctylammonium bromide-capped gold nanoparticles. Langmuir 2002, 18:3722-3727.
9. Sethi M., Knecht M.R. Understanding the mechanism of amino acid-based Au nanoparticle chain formation. Langmuir 2010, 26:9860-9874.
10. Angelova P., Kuchukova N., Dobrikov G.M., Timtcheva I., Kostova K., Petkova I., Vauthey E. Fluorescent monolayer protected gold nanoparticles - preparation and structure elucidation. J. Mol. Struct. 2011, 993:185-192.
11. Cho E.C., Choi S.-W., Camargo P.H.C., Xia Y. Thiol-induced assembly of Au nanoparticles into chainlike structures and their fixing by encapsulation in silica shells or gelatin microspheres. Langmuir 2010, 26:10005-10012.
12. Yan B., Boriskina S.V., Reinhard B.M. Optimizing gold nanoparticle cluster configurations (n ≤ 7) for array applications. J. Phys. Chem. C 2011, 115:4578-4583.
13. Feigl C., Grochola G., Opletal G., Snook I.K., Russo S.P. A theoretical study of size and temperature dependent morphology transformations in gold nanoparticles. Chem. Phys. Lett. 2009, 474:115-118.
14. Ghorai P.Kr., Glotzer S.C. Molecular dynamics simulation study of self-assembled monolayers of alkanethiol surfactants on spherical gold nanoparticles. J. Phys. Chem. C 2007, 111:15857-15862.
15. Yang A.-C., Weng C.-I. Structural and dynamic properties of water near monolayer-protected gold clusters with various alkanethiol tail groups. J. Phys. Chem. C 2010, 114:8697-8709.
16. Duchesne L., Wells G., Fernig D.G., Harris S.A., Lévy R. Supramolecular domains in mixed peptide self-assembled monolayers on gold nanoparticles. ChemBioChem 2008, 9:2127-2134.
17. Lee O.-S., Prytkova T.R., Schatz G.C. Using DNA to link gold nanoparticles, polymers, and molecules: a theoretical perspective. J. Phys. Chem. Lett. 2010, 1:1781-1788.
18. Lin J., Zhang H., Chen Z., Zheng Y. Penetration of lipid membranes by gold nanoparticles: Insights into cellular uptake, cytotoxicity, and their relationship. ASC Nano 2010, 4:5421-5429.
19. Martin M.N., Basham J.I., Chando P., Eah S.-K. Charged gold nanoparticles in non-polar solvents: 10-min synthesis and 2D self-assembly. Langmuir 2010, 26:7410-7417.
20. Marrink S.J., Risselada H.J., Yefimov S., Tieleman D.P., de Vries A.H. The MARTINI force field: coarse grained model for biomolecular simulations. J. Phys. Chem. B 2007, 111:7812-7824.
21. López C.A., Rzepiela A.J., de Vries A.H., Dijkhuizen L., Hunenberger P.H., Marrink S.J. Martini coarse-grained force field: extension to carbohydrates. J. Chem. Theory Comput. 2009, 5:3195-3210.
22. Bayler A., Schier A., Bowmaker G.A., Schmidbaur H. Gold is smaller than silver. Crystal structures of [bis(trimesitylphosphine)gold(I)] and [bis(trimesitylphosphine)silver(I)] tetrafluoroborate. J. Am. Chem. Soc. 1996, 118:7006-7007.
23. van der Spoel D., Lindahl E., Hess B., Groenhof G., Mark A.E., Berendsen H.J.C. GROMACS: fast, flexible and free. J. Comp. Chem. 2005, 26:1701-1718.
24. Humphrey W., Dalke A., Schulten K. VMD: visual molecular dynamics. J. Mol. Graph. 1996, 14, 33-38.
25. Haiss W., Thanh N.T.K., Aveyard J., Fernig D.G. Determination of size and concentration of gold nanoparticles from UV-Vis spectra. Anal. Chem. 2007, 79:4215-4221.
26. Khlebtsov N.G. Determination of size and concentration of gold nanoparticles from extinction spectra. Anal. Chem. 2008, 80:6620-6625.
27. Tournebize J., Sapin-Minet A., Schneider R., Boudier A., Maincent P., Leroy P. Simple spectrophotocolorimetric method for quantitative determination of gold in nanoparticles. Talanta 2011, 83:1780-1783.
28. Mahladisa M.A., Ackermann L., Ngoepe P.E. Structural properties of gold clusters at different temperatures. S. Afr. J. Sci. 2005, 101:471-474.