---
OA_place: publisher
OA_type: hybrid
PlanS_conform: '1'
_id: '19024'
abstract:
- lang: eng
  text: Aqueous two-phase systems (ATPSs), phase-separating solutions of water soluble
    but mutually immiscible molecular species, offer fascinating prospects for selective
    partitioning, purification, and extraction. Here, we formulate a general Brownian
    dynamics based coarse-grained simulation model for an ATPS of two water soluble
    but mutually immiscible polymer species. Including additional solute species into
    the model is straightforward, which enables capturing the assembly and partitioning
    response of, e.g., nanoparticles (NPs), additional macromolecular species, or
    impurities in the ATPS. We demonstrate that the simulation model captures satisfactorily
    the phase separation, partitioning, and interfacial properties of an actual ATPS
    using a model ATPS in which a polymer mixture of dextran and polyethylene glycol
    (PEG) phase separates, and magnetic NPs selectively partition into one of the
    two polymeric phases. Phase separation and NP partitioning are characterized both
    via the computational model and experimentally, under different conditions. The
    simulation model captures the trends observed in the experimental system and quantitatively
    links the partitioning behavior to the component species interactions. Finally,
    the simulation model reveals that the ATPS interface fluctuations in systems with
    magnetic NPs as a partitioned species can be controlled by the magnetic field
    at length scales much smaller than those probed experimentally to date.
acknowledgement: This work was supported by the Swiss National Science Foundation
  under the project no. P500PT_206916 (A.S.) and the Academy of Finland through its
  Centres of Excellence Programs (2022-2029, LIBER) under projects no. 346111 and
  364205 (M.S.) and 346112 and 364206 (J.T.). MPH was supported by the National Science
  Foundation through the Princeton University (PCCM) Materials Research Science and
  Engineering Center DMR-2011750. A.S. warmly thanks Bob Evans for extensive scientific
  discussions and for his hospitality during the research visit in Bristol. Computational
  resources by CSC IT Centre for Finland, the Aalto Science-IT project, and RAMI –
  RawMatters Finland Infrastructure are also gratefully acknowledged.
article_processing_charge: Yes (in subscription journal)
article_type: original
arxiv: 1
author:
- first_name: Alberto
  full_name: Scacchi, Alberto
  last_name: Scacchi
- first_name: Carlo
  full_name: Rigoni, Carlo
  id: c5df3b62-5f9e-11ef-ba3c-b97f5b5b5ef0
  last_name: Rigoni
- first_name: Mikko
  full_name: Haataja, Mikko
  last_name: Haataja
- first_name: Jaakko V.I.
  full_name: Timonen, Jaakko V.I.
  last_name: Timonen
- first_name: Maria
  full_name: Sammalkorpi, Maria
  last_name: Sammalkorpi
citation:
  ama: 'Scacchi A, Rigoni C, Haataja M, Timonen JVI, Sammalkorpi M. A coarse-grained
    model for aqueous two-phase systems: Application to ferrofluids. <i>Journal of
    Colloid and Interface Science</i>. 2025;686:1135-1146. doi:<a href="https://doi.org/10.1016/j.jcis.2025.01.256">10.1016/j.jcis.2025.01.256</a>'
  apa: 'Scacchi, A., Rigoni, C., Haataja, M., Timonen, J. V. I., &#38; Sammalkorpi,
    M. (2025). A coarse-grained model for aqueous two-phase systems: Application to
    ferrofluids. <i>Journal of Colloid and Interface Science</i>. Elsevier. <a href="https://doi.org/10.1016/j.jcis.2025.01.256">https://doi.org/10.1016/j.jcis.2025.01.256</a>'
  chicago: 'Scacchi, Alberto, Carlo Rigoni, Mikko Haataja, Jaakko V.I. Timonen, and
    Maria Sammalkorpi. “A Coarse-Grained Model for Aqueous Two-Phase Systems: Application
    to Ferrofluids.” <i>Journal of Colloid and Interface Science</i>. Elsevier, 2025.
    <a href="https://doi.org/10.1016/j.jcis.2025.01.256">https://doi.org/10.1016/j.jcis.2025.01.256</a>.'
  ieee: 'A. Scacchi, C. Rigoni, M. Haataja, J. V. I. Timonen, and M. Sammalkorpi,
    “A coarse-grained model for aqueous two-phase systems: Application to ferrofluids,”
    <i>Journal of Colloid and Interface Science</i>, vol. 686. Elsevier, pp. 1135–1146,
    2025.'
  ista: 'Scacchi A, Rigoni C, Haataja M, Timonen JVI, Sammalkorpi M. 2025. A coarse-grained
    model for aqueous two-phase systems: Application to ferrofluids. Journal of Colloid
    and Interface Science. 686, 1135–1146.'
  mla: 'Scacchi, Alberto, et al. “A Coarse-Grained Model for Aqueous Two-Phase Systems:
    Application to Ferrofluids.” <i>Journal of Colloid and Interface Science</i>,
    vol. 686, Elsevier, 2025, pp. 1135–46, doi:<a href="https://doi.org/10.1016/j.jcis.2025.01.256">10.1016/j.jcis.2025.01.256</a>.'
  short: A. Scacchi, C. Rigoni, M. Haataja, J.V.I. Timonen, M. Sammalkorpi, Journal
    of Colloid and Interface Science 686 (2025) 1135–1146.
date_created: 2025-02-16T23:02:33Z
date_published: 2025-05-15T00:00:00Z
date_updated: 2025-09-30T10:31:45Z
day: '15'
ddc:
- '540'
department:
- _id: RaKl
doi: 10.1016/j.jcis.2025.01.256
external_id:
  arxiv:
  - '2311.16906'
  isi:
  - '001426125300001'
  pmid:
  - '39933351'
file:
- access_level: open_access
  checksum: a52b72a243a717d85c348f53898ad934
  content_type: application/pdf
  creator: dernst
  date_created: 2025-08-05T12:07:24Z
  date_updated: 2025-08-05T12:07:24Z
  file_id: '20128'
  file_name: 2025_JourColloidScie_Scacchi.pdf
  file_size: 4212615
  relation: main_file
  success: 1
file_date_updated: 2025-08-05T12:07:24Z
has_accepted_license: '1'
intvolume: '       686'
isi: 1
language:
- iso: eng
month: '05'
oa: 1
oa_version: Published Version
page: 1135-1146
pmid: 1
publication: Journal of Colloid and Interface Science
publication_identifier:
  eissn:
  - 1095-7103
  issn:
  - 0021-9797
  issnl:
  - 0021-9797
publication_status: published
publisher: Elsevier
quality_controlled: '1'
related_material:
  record:
  - id: '19033'
    relation: research_data
    status: public
scopus_import: '1'
status: public
title: 'A coarse-grained model for aqueous two-phase systems: Application to ferrofluids'
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 686
year: '2025'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '18451'
abstract:
- lang: eng
  text: Inorganic nanoparticles can be assembled into superlattices with unique optical
    and magnetic properties arising from collective behavior. Protein cages can be
    utilized to guide this assembly by encapsulating nanoparticles and promoting their
    assembly into ordered structures. However, creating ordered multi-component structures
    with different protein cage types and sizes remains a challenge. Here, the co-crystallization
    of two different protein cages (cowpea chlorotic mottle virus and ferritin) characterized
    by opposing surface charges and unequal diameter is shown. Precise tuning of the
    electrostatic attraction between the cages enabled the preparation of binary crystals
    with dimensions up to several tens of micrometers. Additionally, binary metal
    nanoparticle superlattices are achieved by loading gold and iron oxide nanoparticles
    inside the cavities of the protein cages. The resulting structure adopts an AB2FCC
    configuration that also impacts the dipolar coupling between the particles and
    hence the optical properties of the crystals, providing key insight for the future
    preparation of plasmonic and magnetic nanoparticle metamaterials.
acknowledgement: This work has received funding from the European Research Council
  (ERC) under the European Union's Horizon 2020 research and innovation programme
  (Grant Agreement No. 101002258). The authors acknowledge the provision of facilities
  and technical support by Aalto University Bioeconomy Facilities and OtaNanoNanomicroscopy
  Center (Aalto-NMC). This work was carried out under the Academy of Finland's Centers
  of Excellence Programme, Life Inspired Hybrid Materials (LIBER) Center of Excellence
  (2022–2029), project number 346110 and 346112.
article_number: '2408416'
article_processing_charge: Yes
article_type: original
author:
- first_name: Yu
  full_name: Zhou, Yu
  last_name: Zhou
- first_name: Ahmed
  full_name: Shaukat, Ahmed
  last_name: Shaukat
- first_name: Jani
  full_name: Seitsonen, Jani
  last_name: Seitsonen
- first_name: Carlo
  full_name: Rigoni, Carlo
  id: c5df3b62-5f9e-11ef-ba3c-b97f5b5b5ef0
  last_name: Rigoni
- first_name: Jaakko V.I.
  full_name: Timonen, Jaakko V.I.
  last_name: Timonen
- first_name: Mauri A.
  full_name: Kostiainen, Mauri A.
  last_name: Kostiainen
citation:
  ama: Zhou Y, Shaukat A, Seitsonen J, Rigoni C, Timonen JVI, Kostiainen MA. Protein
    cage directed assembly of binary nanoparticle superlattices. <i>Advanced Science</i>.
    2024;11(45). doi:<a href="https://doi.org/10.1002/advs.202408416">10.1002/advs.202408416</a>
  apa: Zhou, Y., Shaukat, A., Seitsonen, J., Rigoni, C., Timonen, J. V. I., &#38;
    Kostiainen, M. A. (2024). Protein cage directed assembly of binary nanoparticle
    superlattices. <i>Advanced Science</i>. Wiley. <a href="https://doi.org/10.1002/advs.202408416">https://doi.org/10.1002/advs.202408416</a>
  chicago: Zhou, Yu, Ahmed Shaukat, Jani Seitsonen, Carlo Rigoni, Jaakko V.I. Timonen,
    and Mauri A. Kostiainen. “Protein Cage Directed Assembly of Binary Nanoparticle
    Superlattices.” <i>Advanced Science</i>. Wiley, 2024. <a href="https://doi.org/10.1002/advs.202408416">https://doi.org/10.1002/advs.202408416</a>.
  ieee: Y. Zhou, A. Shaukat, J. Seitsonen, C. Rigoni, J. V. I. Timonen, and M. A.
    Kostiainen, “Protein cage directed assembly of binary nanoparticle superlattices,”
    <i>Advanced Science</i>, vol. 11, no. 45. Wiley, 2024.
  ista: Zhou Y, Shaukat A, Seitsonen J, Rigoni C, Timonen JVI, Kostiainen MA. 2024.
    Protein cage directed assembly of binary nanoparticle superlattices. Advanced
    Science. 11(45), 2408416.
  mla: Zhou, Yu, et al. “Protein Cage Directed Assembly of Binary Nanoparticle Superlattices.”
    <i>Advanced Science</i>, vol. 11, no. 45, 2408416, Wiley, 2024, doi:<a href="https://doi.org/10.1002/advs.202408416">10.1002/advs.202408416</a>.
  short: Y. Zhou, A. Shaukat, J. Seitsonen, C. Rigoni, J.V.I. Timonen, M.A. Kostiainen,
    Advanced Science 11 (2024).
date_created: 2024-10-20T22:02:07Z
date_published: 2024-12-04T00:00:00Z
date_updated: 2025-09-08T14:20:31Z
day: '04'
ddc:
- '540'
department:
- _id: RaKl
doi: 10.1002/advs.202408416
external_id:
  isi:
  - '001330745600001'
  pmid:
  - '39401426'
file:
- access_level: open_access
  checksum: 00451eeb2c9eecf1ff41ad243c793a51
  content_type: application/pdf
  creator: dernst
  date_created: 2025-01-13T09:16:25Z
  date_updated: 2025-01-13T09:16:25Z
  file_id: '18834'
  file_name: 2024_AdvancedScience_Zhou.pdf
  file_size: 7040083
  relation: main_file
  success: 1
file_date_updated: 2025-01-13T09:16:25Z
has_accepted_license: '1'
intvolume: '        11'
isi: 1
issue: '45'
language:
- iso: eng
month: '12'
oa: 1
oa_version: Published Version
pmid: 1
publication: Advanced Science
publication_identifier:
  eissn:
  - 2198-3844
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: Protein cage directed assembly of binary nanoparticle superlattices
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 11
year: '2024'
...