Dynamic electro-optic properties of macromolecules and nanoparticles in solution: A review of computational and simulation methodologies

Torre, José Garcı́a de la

doi:10.1016/j.colsurfb.2006.10.007

Cited by 15 publications

(10 citation statements)

References 81 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Because the alignment and orientation relaxation processes reflect particle structure, conformation, geometry, etc., the electro-optical technique has been used to investigate small molecules, polymers, proteins, viruses, liquid crystals, and colloidal particles . There are also computational simulations on electro-birefringence and dichroism transient behavior of nanoparticles and macromolecules to understand and predict the structure−property relationship . Therefore, electro-optics has become a powerful alternative to depolarized light scattering and NMR in probing structures of small anisotropic objects.…”

Section: Introductionmentioning

confidence: 99%

Electro-optics of Polymer Nanotube Dispersions

2011

View full text Add to dashboard Cite

Polyelectrolyte-stabilized polymer nanotubes with high rigidity are electro-optically characterized in the dilute and semidilute regimes. Nanotube alignment with the electric field and subsequent orientation relaxation in the absence of electric field are confirmed by optical microscopy, and a simple UV−vis electro-optical setup is used to detect the transient light transmittance. The effects of ionic strength, pulse duration, electric field strength, and particle concentration on particle alignment and orientation relaxation dynamics were systematically varied. The charge-dependent field-induced interfacial polarization, particularly the double layer polarization, plays a predominant role in the thin-walled nanotube alignment, which diminishes with increasing salt screening, approaching predictions for uncharged dielectric tubes. The experimentally obtained rotary diffusivity from nanotube orientation relaxation dynamics agrees with theoretical predictions, with negligible ionic strength effects, indicating the absence of salt-induced aggregation events. When the scaled particle concentration ϕ/ϕ* increases from 0.06 to 15, the alignment is slowed by crowding, whereas the measured collective rotary diffusion coefficient increases due to the gradient of orientation probability.

show abstract

Section: Introductionmentioning

confidence: 99%

Electro-optics of Polymer Nanotube Dispersions

2011

View full text Add to dashboard Cite

show abstract

“…A rigorous way of modeling wormlike macromolecules for hydrodynamic purposes is the discrete wormlike model, , where the chain is represented by a string of N touching beads of diameter d , segment length b = d , so its the contour length L c = Nb , and the bending flexibility is represented by a potential quadratic on the local bending angle with force constant Q = k B TP / b . This scheme has been very successfully applied to the prediction of hydrodynamic properties of a variety of wormlike macromolecules .…”

Section: Methodsmentioning

confidence: 99%

Shape Analysis of DNA–Au Hybrid Particles by Analytical Ultracentrifugation

et al. 2016

View full text Add to dashboard Cite

Current developments in nanotechnology have increased the demand for nanocrystal assemblies with well-defined shapes and tunable sizes. DNA is a particularly well-suited building block in nanoscale assemblies because of its scalable sizes, conformational variability, and convenient self-assembly capabilities via base pairing. In hybrid materials, gold nanoparticles (AuNPs) can be assembled into nanoparticle structures with programmable interparticle distances by applying appropriate DNA sequences. However, the development of stoichiometrically defined DNA/NP structures is still challenging since product mixtures are frequently obtained and their purification and characterization is the rate-limiting step in the development of DNA-NP hybrid assemblies. Improvements in nanostructure fractionation and characterization techniques offer great potential for nanotechnology applications in general. This study reports the application of analytical ultracentrifugation (AUC) for the characterization of anisotropic DNA-linked metal-crystal assemblies. On the basis of transmission electron microscopy data and the DNA primary sequence, hydrodynamic bead models are set up for the interpretation of the measured frictional ratios and sedimentation coefficients. We demonstrate that the presence of single DNA strands on particle surfaces as well as the shape factors of multiparticle structures in mixtures can be quantitatively described by AUC. This study will significantly broaden the possibilities to analyze mixtures of shape-anisotropic nanoparticle assemblies. By establishing insights into the analysis of nanostructure mixtures based on fundamental principles of sedimentation, a wide range of potential applications in basic research and industry become accessible.

show abstract

“…In order to determine the numerical values of the mobility tensor, l )ðRR;vÞ , various versions of the program HYDRO [15,16] may be applied. An important alternative approach makes use the boundary element method.…”

Section: ãðMþmentioning

confidence: 99%

“…To determine the mobility tensor of a particle with a given arbitrary surface topography we start by analyzing the mobility tensor, $\buildrel \Rightarrow \over {{\mu}}^{({\rm RR},\omega)}$ , for angular velocity, ${\vec \omega }$ , in the Cartesian coordinate system where $\vec T = \left( {T_x, T_y, T_z } \right)$ is torque. In order to determine the numerical values of the mobility tensor, $\buildrel \Rightarrow \over {{\mu}}^{({\rm RR},\omega )}$ , various versions of the program HYDRO15, 16 may be applied. An important alternative approach makes use the boundary element method 17, 18.…”

Section: Theorymentioning

confidence: 99%

Free Rotational Diffusion of Rigid Particles with Arbitrary Surface Topography: A Brownian Dynamics Study Using Eulerian Angles

Evensen

Naess

Elgsaeter

2008

Macro Theory & Simulations

View full text Add to dashboard Cite

Rotational diffusion of rigid bodies is an important topic that has attracted sustained interest for many decades, but most existing studies are limited to particles with simple symmetries. Here, we present a simple Brownian dynamics algorithm that can be used to study the free rotational diffusion of rigid particles with arbitrary surface topography. The main difference between the new algorithm and previous algorithms is how the numerical values of the mobility tensor are calculated. The only parameters in the numerical algorithm that depend on particle shape are the principal values of the particle rotational mobility tensor. These three scalars contain all information about the surface topography that is relevant for the particle rotational diffusion. Because these principal values only need to be pre‐calculated once, the resulting general algorithm is highly efficient. The algorithm is valid for arbitrary mass density distribution throughout the rigid body. In this paper, we use Eulerian angles as the generalized coordinates describing the particle angular orientation.

show abstract

Dynamic electro-optic properties of macromolecules and nanoparticles in solution: A review of computational and simulation methodologies

Cited by 15 publications

References 81 publications

Electro-optics of Polymer Nanotube Dispersions

Electro-optics of Polymer Nanotube Dispersions

Shape Analysis of DNA–Au Hybrid Particles by Analytical Ultracentrifugation

Free Rotational Diffusion of Rigid Particles with Arbitrary Surface Topography: A Brownian Dynamics Study Using Eulerian Angles

Contact Info

Product

Resources

About