Dataset Information

Thermal Transport through Polymer-Linked Gold Nanoparticles.

ABSTRACT: Polymer-nanoparticle networks have potential applications in molecular electronics and nanophononics. In this work, we use all-atom molecular dynamics to reveal the fundamental mechanisms of thermal transport in polymer-linked gold nanoparticle (AuNP) dimers at the molecular level. Attachment of the polymers to AuNPs of varying sizes allows the determination of effects from the flexibility of the chains when their ends are not held fixed. We report heat conductance (G) values for six polymers-viz. polyethylene, poly(p-phenylene), polyacene, polyacetylene, polythiophene, and poly(3,4-ethylenedioxythiophene)-that represent a broad range of stiffness. We address the multimode effects of polymer type, AuNP size, polymer chain length, polymer conformation, system temperature, and number of linking polymers on G. The combination of the mechanisms for phonon boundary scattering and intrinsic phonon scattering has a strong effect on G. We find that the values of G are larger for conjugated polymers because of the stiffness in their backbones. They are also larger in the low-temperature region for all polymers owing to the quenching of segmental rotations at low temperature. Our simulations also suggest that the total G is additive as the number of linking polymers in the AuNP dimer increases from 1 to 2 to 3.

SUBMITTER: Wei X

PROVIDER: S-EPMC9639611 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Thermal Transport through Polymer-Linked Gold Nanoparticles.

Wei Xingfei X Harazinska Ewa E Zhao Yinong Y Zhuang Yi Y Hernandez Rigoberto R

The journal of physical chemistry. C, Nanomaterials and interfaces 20221021 43

Polymer-nanoparticle networks have potential applications in molecular electronics and nanophononics. In this work, we use all-atom molecular dynamics to reveal the fundamental mechanisms of thermal transport in polymer-linked gold nanoparticle (AuNP) dimers at the molecular level. Attachment of the polymers to AuNPs of varying sizes allows the determination of effects from the flexibility of the chains when their ends are not held fixed. We report heat conductance (<i>G</i>) values for six poly ...[more]

PMID: 36366755

Similar Datasets

Project description:BackgroundEngineered inorganic nanoparticles (NPs) are essential components in the development of nanotechnologies. For applications in nanomedicine, particles need to be functionalized to ensure a good dispersibility in biological fluids. In many cases however, functionalization is not sufficient: the particles become either coated by a corona of serum proteins or precipitate out of the solvent. We show that by changing the coating of magnetic iron oxide NPs using poly-L-lysine (PLL) polymer the colloidal stability of the dispersion is improved in aqueous solutions including water, phosphate buffered saline (PBS), PBS with 10% fetal bovine serum (FBS) and cell culture medium, and the internalization of the NPs toward living mammalian cells is profoundly affected.MethodsA multifunctional magnetic NP is designed to perform a near-infrared (NIR)-responsive remote control photothermal ablation for the treatment of breast cancer. In contrast to the previously reported studies of gold (Au) magnetic (Fe3O4) core-shell NPs, a Janus-like nanostructure is synthesized with Fe3O4 NPs decorated with Au resulting in an approximate size of 60 nm mean diameter. The surface of trisoctahedral Au-Fe3O4 NPs was coated with a positively charged polymer, PLL to deliver the NPs inside cells. The PLL-Au-Fe3O4 NPs were characterized by transmission electron microscopy (TEM), XRD, FT-IR and dynamic light scattering (DLS). The unique properties of both Au surface plasmon resonance and superparamagnetic moment result in a multimodal platform for use as a nanothermal ablator and also as a magnetic resonance imaging (MRI) contrast agent, respectively. Taking advantage of the photothermal therapy, PLL-Au-Fe3O4 NPs were incubated with BT-474 and MDA-MB-231 breast cancer cells, investigated for the cytotoxicity and intracellular uptake, and remotely triggered by a NIR laser of ~ 808 nm (1 W/cm2 for 10 min).ResultsThe PLL coating increased the colloidal stability and robustness of Au-Fe3O4 NPs (PLL-Au-Fe3O4) in biological media including cell culture medium, PBS and PBS with 10% fetal bovine serum. It is revealed that no significant (< 10%) cytotoxicity was induced by PLL-Au-Fe3O4 NPs itself in BT-474 and MDA-MB-231 cells at concentrations up to 100 μg/ml. Brightfield microscopy, fluorescence microscopy and TEM showed significant uptake of PLL-Au-Fe3O4 NPs by BT-474 and MDA-MB-231 cells. The cells exhibited 40 and 60% inhibition in BT-474 and MDA-MB-231 cell growth, respectively following the internalized NPs were triggered by a photothermal laser using 100 μg/ml PLL-Au-Fe3O4 NPs. The control cells treated with NPs but without laser showed < 10% cell death compared to no laser treatment control CONCLUSION: Combined together, the results demonstrate a new polymer gold superparamagnetic nanostructure that integrates both diagnostics function and photothermal ablation of tumors into a single multimodal nanoplatform exhibiting a significant cancer cell death.

Dataset Information

Thermal Transport through Polymer-Linked Gold Nanoparticles.

Publications

Thermal Transport through Polymer-Linked Gold Nanoparticles.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets