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Boron Cage Triggered Micellization of a Neutral–Cationic Block Copolymer and Preparation of Boron-Containing Layer-by-Layer Microparticles

Aydemir, Umut LU orcid ; Ugur, Esma ; Ermis, Cagdas ; Aydemir, Fatma Nur ; Ozdemir, Erhan ; Banerjee, Sreeparna ; Yildirim, Erol ; Akdag, Akin and Erel Goktepe, Irem (2022) In ACS Applied Polymer Materials 4(5). p.3448-3461
Abstract
The preparation of a polymer carrier for a boron delivery agent is presented through a combination of experimental and computational studies. A dodecahydro-closo-dodecaborate (B12H12)2– (B12) anion was used as a model boron-containing agent due to its high boron content. Quaternized poly(2-vinyl pyridine)-b-poly(ethylene oxide) (QP2VP-b-PEO) was chosen as a model neutral–cationic block copolymer to construct the carrier. The electrostatic association between QP2VP and B12 induced the self-assembly of QP2VP-b-PEO, resulting in micelles with (B12 + QP2VP)-core and PEO-corona. The mechanism of formation of (B12 + QP2VP)-b-PEO micelles was examined through density functional theory (DFT) calculations and classical simulations. (B12 +... (More)
The preparation of a polymer carrier for a boron delivery agent is presented through a combination of experimental and computational studies. A dodecahydro-closo-dodecaborate (B12H12)2– (B12) anion was used as a model boron-containing agent due to its high boron content. Quaternized poly(2-vinyl pyridine)-b-poly(ethylene oxide) (QP2VP-b-PEO) was chosen as a model neutral–cationic block copolymer to construct the carrier. The electrostatic association between QP2VP and B12 induced the self-assembly of QP2VP-b-PEO, resulting in micelles with (B12 + QP2VP)-core and PEO-corona. The mechanism of formation of (B12 + QP2VP)-b-PEO micelles was examined through density functional theory (DFT) calculations and classical simulations. (B12 + QP2VP)-b-PEO micelles were found to be undurable in biological medium. To enhance stability, micelles were utilized as building blocks together with poly(N-vinyl caprolactam) (PVCL) and tannic acid (TA) to construct layer-by-layer (LbL) microparticles. Cytotoxicity and cellular association of LbL particles were assessed using the HepG2 cell line. Multilayered particles were found to show no cellular cytotoxicity. Association studies and the boron content of treated cells through inductively coupled plasma optical emission spectroscopy (ICP-OES) showed that LbL microparticles were extensively associated with and successfully delivered boron to HepG2 cells. This study reveals the challenges and possible solutions to obtain stable self-assembled structures in a cell culture medium. These findings contribute to a fundamental understanding of the structure–property relationship in self-assembled micelles/LbL particles and provide a basis for further development of boron-containing polymer vehicles for boron neutron capture therapy. (Less)
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author
; ; ; ; ; ; ; and
publishing date
type
Contribution to journal
publication status
published
subject
in
ACS Applied Polymer Materials
volume
4
issue
5
pages
3448 - 3461
publisher
The American Chemical Society (ACS)
external identifiers
  • scopus:85129070591
ISSN
2637-6105
DOI
10.1021/acsapm.2c00060
language
English
LU publication?
no
id
8398ef94-eff3-44b1-b0bb-693616becd3d
date added to LUP
2023-05-11 10:13:43
date last changed
2023-09-26 12:42:35
@article{8398ef94-eff3-44b1-b0bb-693616becd3d,
  abstract     = {{The preparation of a polymer carrier for a boron delivery agent is presented through a combination of experimental and computational studies. A dodecahydro-closo-dodecaborate (B12H12)2– (B12) anion was used as a model boron-containing agent due to its high boron content. Quaternized poly(2-vinyl pyridine)-b-poly(ethylene oxide) (QP2VP-b-PEO) was chosen as a model neutral–cationic block copolymer to construct the carrier. The electrostatic association between QP2VP and B12 induced the self-assembly of QP2VP-b-PEO, resulting in micelles with (B12 + QP2VP)-core and PEO-corona. The mechanism of formation of (B12 + QP2VP)-b-PEO micelles was examined through density functional theory (DFT) calculations and classical simulations. (B12 + QP2VP)-b-PEO micelles were found to be undurable in biological medium. To enhance stability, micelles were utilized as building blocks together with poly(N-vinyl caprolactam) (PVCL) and tannic acid (TA) to construct layer-by-layer (LbL) microparticles. Cytotoxicity and cellular association of LbL particles were assessed using the HepG2 cell line. Multilayered particles were found to show no cellular cytotoxicity. Association studies and the boron content of treated cells through inductively coupled plasma optical emission spectroscopy (ICP-OES) showed that LbL microparticles were extensively associated with and successfully delivered boron to HepG2 cells. This study reveals the challenges and possible solutions to obtain stable self-assembled structures in a cell culture medium. These findings contribute to a fundamental understanding of the structure–property relationship in self-assembled micelles/LbL particles and provide a basis for further development of boron-containing polymer vehicles for boron neutron capture therapy.}},
  author       = {{Aydemir, Umut and Ugur, Esma and Ermis, Cagdas and Aydemir, Fatma Nur and Ozdemir, Erhan and Banerjee, Sreeparna and Yildirim, Erol and Akdag, Akin and Erel Goktepe, Irem}},
  issn         = {{2637-6105}},
  language     = {{eng}},
  month        = {{04}},
  number       = {{5}},
  pages        = {{3448--3461}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{ACS Applied Polymer Materials}},
  title        = {{Boron Cage Triggered Micellization of a Neutral–Cationic Block Copolymer and Preparation of Boron-Containing Layer-by-Layer Microparticles}},
  url          = {{http://dx.doi.org/10.1021/acsapm.2c00060}},
  doi          = {{10.1021/acsapm.2c00060}},
  volume       = {{4}},
  year         = {{2022}},
}