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Development of a program for building an atomic model of covalently bound polymer coating on a nanoparticle

Bredberg, Charlotte LU (2017) FYSK02 20171
Department of Physics
Solid State Physics
Abstract
Coating nanoparticles with polymers in medical applications has been extensively employed to prevent unspecific interaction with proteins and the immune system and to enhance their circulation time in the blood. The interaction between polymer chains affects the preferred conformational structure of the coating and is an important factor to understand for specific applications. In spite of this, this area remains poorly understood and there exist no solid guidelines specifying a proper selection of coating. Building an atomic model for covalently bound polymers on a nanoparticle provides a tool for this objective. Results produced by the computer program module we developed as a part of this work showed agreement to theoret- ical... (More)
Coating nanoparticles with polymers in medical applications has been extensively employed to prevent unspecific interaction with proteins and the immune system and to enhance their circulation time in the blood. The interaction between polymer chains affects the preferred conformational structure of the coating and is an important factor to understand for specific applications. In spite of this, this area remains poorly understood and there exist no solid guidelines specifying a proper selection of coating. Building an atomic model for covalently bound polymers on a nanoparticle provides a tool for this objective. Results produced by the computer program module we developed as a part of this work showed agreement to theoret- ical predictions as well as experimentally accessed results, strengthening the reliability of the program. It was found that the interaction within and between neighboring polymer chains extended the chains considerably. This result suggests that the simplest theoretical models is not sufficient to describe real polymer chains. A simulated PEG44 coated nanoparticle with a core size of 11.7 nm was found to have an effective size in excellent agreement with an experi- mental measurement. For a PEGylation of high grafting density the conformational structure was shown to be in the brush regime which agreed to the theoretical prediction. If this work is extended the prospects of finding useful guidelines for efficient coating of nanoparticles are good. (Less)
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author
Bredberg, Charlotte LU
supervisor
organization
course
FYSK02 20171
year
type
M2 - Bachelor Degree
subject
language
English
id
8909601
date added to LUP
2017-06-13 09:33:00
date last changed
2017-06-13 09:33:00
@misc{8909601,
  abstract     = {Coating nanoparticles with polymers in medical applications has been extensively employed to prevent unspecific interaction with proteins and the immune system and to enhance their circulation time in the blood. The interaction between polymer chains affects the preferred conformational structure of the coating and is an important factor to understand for specific applications. In spite of this, this area remains poorly understood and there exist no solid guidelines specifying a proper selection of coating. Building an atomic model for covalently bound polymers on a nanoparticle provides a tool for this objective. Results produced by the computer program module we developed as a part of this work showed agreement to theoret- ical predictions as well as experimentally accessed results, strengthening the reliability of the program. It was found that the interaction within and between neighboring polymer chains extended the chains considerably. This result suggests that the simplest theoretical models is not sufficient to describe real polymer chains. A simulated PEG44 coated nanoparticle with a core size of 11.7 nm was found to have an effective size in excellent agreement with an experi- mental measurement. For a PEGylation of high grafting density the conformational structure was shown to be in the brush regime which agreed to the theoretical prediction. If this work is extended the prospects of finding useful guidelines for efficient coating of nanoparticles are good.},
  author       = {Bredberg, Charlotte},
  language     = {eng},
  note         = {Student Paper},
  title        = {Development of a program for building an atomic model of covalently bound polymer coating on a nanoparticle},
  year         = {2017},
}