Interaction between functionalized gold nanoparticles in physiological saline

被引:19
|
作者
Alsharif, Shada A. [1 ]
Chen, Liao Y. [1 ]
Tlahuice-Flores, Alfredo [1 ]
Whetten, Robert L. [1 ]
Yacaman, Miguel Jose [1 ]
机构
[1] Univ Texas San Antonio, Dept Phys & Astron, San Antonio, TX 78249 USA
基金
美国国家科学基金会;
关键词
MEAN-FORCE; MOLECULAR-DYNAMICS; STATISTICAL-MECHANICS; ELECTROLYTE-SOLUTIONS; COLLOIDAL PARTICLES; RANGE ATTRACTION; CHARGED COLLOIDS; MAMMALIAN-CELLS; CELLULAR-UPTAKE; SURFACE-CHARGE;
D O I
10.1039/c3cp54503b
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The interactions between functionalized noble-metal particles in an aqueous solution are central to applications relying on controlled equilibrium association. Herein, we obtain the potentials of mean force (PMF) for pair-interactions between functionalized gold nanoparticles (AuNPs) in physiological saline. These results are based upon >1000 ns experiments in silico of all-atom model systems under equilibrium and non-equilibrium conditions. Four types of functionalization are built by coating each globular Au-144 cluster with 60 thiolate groups: GS-AuNP (glutathionate), PhS-AuNP (thiophenol), CyS-AuNP (cysteinyl), and p-APhS-AuNP (para-aminothiophenol), which are, respectively, negatively charged, hydrophobic (neutral-nonpolar), hydrophilic (neutral-polar), and positively charged at neutral pH. The results confirm the behavior expected of neutral (hydrophilic or hydrophobic) particles in a dilute aqueous environment, however the PMF curves demonstrate that the charged AuNPs interact with one another in a unique way-mediated by H2O molecules and an electrolyte (Na+, Cl-)-in a physiological environment. In the case of two GS-AuNPs, the excess, neutralizing Na+ ions form a mobile (or 'dynamic') cloud of enhanced concentration between the like-charged GS-AuNPs, inducing a moderate attraction (similar to 25 kT) between them. Furthermore, to a lesser degree, for a pair of p-APhS-AuNPs, the excess, neutralizing Cl- ions (less mobile than Na+) also form a cloud of higher concentration between the two like-charged p-APhS-AuNPs, inducing weaker yet significant attractions (similar to 12 kT). On combining one GS- with one p-APhS-AuNP, the direct, attractive Coulombic force is completely screened out while the solvation effects give rise to moderate repulsion between the two unlike-charged AuNPs.
引用
收藏
页码:3909 / 3913
页数:5
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