---
OA_place: publisher
OA_type: hybrid
PlanS_conform: '1'
_id: '21748'
abstract:
- lang: eng
  text: Cells are defined by lipid membranes that differ in their structure across
    the tree of life. While the membranes of most bacteria and eukaryotes consist
    of single-headed bilayer lipids, the membranes of archaea are composed of mixtures
    of single-headed bilayer lipids and double-headed bolalipids. Archaeal bolalipids
    can adopt straight or u-shaped conformations, enabling them—together with bilayer
    lipids—to control whether membranes form bilayer or monolayer structures. Yet,
    the physical principles governing archaeal membranes remain largely unexplored,
    especially how membrane structure couples to externally imposed curvature during
    membrane remodeling. Here, we perform coarse-grained molecular dynamics simulations
    of toroidal vesicles to systematically probe the effects of all relevant combinations
    of mean and Gaussian curvatures on shape stability and lipid organization. We
    find that soft bilayer membranes can sustain all curvatures induced, whereas rigid
    bolalipid monolayer membranes either transition to different vesicle shapes or
    rupture. Bilayer-mimicking u-shaped bolalipids and bilayer lipids are spatially
    accumulated in regions of high mean membrane curvature independent of Gaussian
    curvature. Our work identifies curvature–composition coupling as a physical signature
    of archaeal membrane remodeling.
acknowledgement: F.F. acknowledges the financial support from the NOMIS foundation.
  M.A. and A.Š. acknowledge the funding from the Volkswagen Foundation (Grant No.
  Az 96727). A.Š. acknowledges the funding from ERC Starting Grant “NEPA” (Grant No.
  802960) and the Vallee Scholarship.
article_number: '144902'
article_processing_charge: Yes (in subscription journal)
article_type: original
arxiv: 1
author:
- first_name: Felix F
  full_name: Frey, Felix F
  id: a0270b37-8f1a-11ec-95c7-8e710c59a4f3
  last_name: Frey
  orcid: 0000-0001-8501-6017
- first_name: Miguel
  full_name: Santana de Freitas Amaral, Miguel
  id: 4f2d02dd-47a9-11ec-ad10-82820ed3f501
  last_name: Santana de Freitas Amaral
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
citation:
  ama: 'Frey FF, Santana de Freitas Amaral M, Šarić A. Cracking donuts and sorting
    lipids: Geometry controls archaeal membrane stability and lipid organization.
    <i>Journal of Chemical Physics</i>. 2026;164(14). doi:<a href="https://doi.org/10.1063/5.0325170">10.1063/5.0325170</a>'
  apa: 'Frey, F. F., Santana de Freitas Amaral, M., &#38; Šarić, A. (2026). Cracking
    donuts and sorting lipids: Geometry controls archaeal membrane stability and lipid
    organization. <i>Journal of Chemical Physics</i>. AIP Publishing. <a href="https://doi.org/10.1063/5.0325170">https://doi.org/10.1063/5.0325170</a>'
  chicago: 'Frey, Felix F, Miguel Santana de Freitas Amaral, and Anđela Šarić. “Cracking
    Donuts and Sorting Lipids: Geometry Controls Archaeal Membrane Stability and Lipid
    Organization.” <i>Journal of Chemical Physics</i>. AIP Publishing, 2026. <a href="https://doi.org/10.1063/5.0325170">https://doi.org/10.1063/5.0325170</a>.'
  ieee: 'F. F. Frey, M. Santana de Freitas Amaral, and A. Šarić, “Cracking donuts
    and sorting lipids: Geometry controls archaeal membrane stability and lipid organization,”
    <i>Journal of Chemical Physics</i>, vol. 164, no. 14. AIP Publishing, 2026.'
  ista: 'Frey FF, Santana de Freitas Amaral M, Šarić A. 2026. Cracking donuts and
    sorting lipids: Geometry controls archaeal membrane stability and lipid organization.
    Journal of Chemical Physics. 164(14), 144902.'
  mla: 'Frey, Felix F., et al. “Cracking Donuts and Sorting Lipids: Geometry Controls
    Archaeal Membrane Stability and Lipid Organization.” <i>Journal of Chemical Physics</i>,
    vol. 164, no. 14, 144902, AIP Publishing, 2026, doi:<a href="https://doi.org/10.1063/5.0325170">10.1063/5.0325170</a>.'
  short: F.F. Frey, M. Santana de Freitas Amaral, A. Šarić, Journal of Chemical Physics
    164 (2026).
corr_author: '1'
date_created: 2026-04-19T22:07:45Z
date_published: 2026-04-14T00:00:00Z
date_updated: 2026-05-05T12:40:41Z
day: '14'
ddc:
- '540'
department:
- _id: AnSa
doi: 10.1063/5.0325170
ec_funded: 1
external_id:
  arxiv:
  - '2603.15170'
file:
- access_level: open_access
  checksum: 2e10c4f4531676e0771ef3730e4b63a9
  content_type: application/pdf
  creator: dernst
  date_created: 2026-05-05T12:35:24Z
  date_updated: 2026-05-05T12:35:24Z
  file_id: '21801'
  file_name: 2026_JourChemPhysics_Frey.pdf
  file_size: 8764791
  relation: main_file
  success: 1
file_date_updated: 2026-05-05T12:35:24Z
has_accepted_license: '1'
intvolume: '       164'
issue: '14'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
publication: Journal of Chemical Physics
publication_identifier:
  eissn:
  - 1089-7690
  issn:
  - ' 0021-9606'
publication_status: published
publisher: AIP Publishing
quality_controlled: '1'
related_material:
  record:
  - id: '21800'
    relation: research_data
    status: public
scopus_import: '1'
status: public
title: 'Cracking donuts and sorting lipids: Geometry controls archaeal membrane stability
  and lipid organization'
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 164
year: '2026'
...
---
OA_place: repository
OA_type: green
_id: '21749'
abstract:
- lang: eng
  text: The collagen triple helix assembles hierarchically into bundled oligomers,
    solvated networks, and fibers. Synthetic peptide assemblies, driven by supramolecular
    interactions, can form single triple helices through intrahelical amino acid pairs;
    however, the principles guiding interhelical associations into higher-order structures
    remain unclear. Here, we incorporate cation−π and electrostatic charge pairs to
    probe interhelical interactions and elucidate the mechanisms driving triple helix
    assembly into fibrils, nanotubes, and nanosheets. Introducing cation−π pairs into
    a fibrillating collagen mimetic resulted in D-periodic fibrils with pH-sensitive
    gelation. By alternating the presentation of electrostatic and cation−π pairs,
    the assembly of another D-periodic fibril featuring inner and outer triple-helical
    layers was resolved by cryo electron microscopy to a resolution of 8 Å. At physiological
    pH, antiparallel association of these triple helices leads to the formation of
    nanotubes. The packing behavior of triple helices correlates with the interhelical
    interactions, where parallel associations favor fibril formation and antiparallel
    interactions drive nanotube and nanosheet assembly. These self-assembling triple-helical
    peptides demonstrate how packing of higher-order structures can be tailored with
    supramolecular interactions and establish the relationship of different hierarchical
    collagen-mimetic assemblies as pH-dependent.
acknowledgement: The authors acknowledge Crispin Hetherington and L. Tracy Yu for
  their technical assistance and insights. This work was funded in part by the National
  Science Foundation (CHE 2203937), the National Science Foundation Graduate Research
  Fellowship (Grant No. 1842494), the Welch Foundation (C-2141), the Swedish Research
  Council (2020-04633), and the NIH (GM122510). This work benefited from using the
  SasView application, originally developed under NSF award DMR-0520547. SasView contains
  code developed with funding from the European Union’s Horizon 2020 research and
  innovation program under the SINE2020 project, Grant Agreement No. 654000. This
  work was partly done using the Shared Equipment Authority resources at Rice University.
article_processing_charge: No
article_type: original
author:
- first_name: Carson C.
  full_name: Cole, Carson C.
  last_name: Cole
- first_name: Mark A.B.
  full_name: Kreutzberger, Mark A.B.
  last_name: Kreutzberger
- first_name: Kevin
  full_name: Klein, Kevin
  id: 1e7ede04-9e54-11f0-9ec4-8d4d5563c398
  last_name: Klein
- first_name: Kiana A.
  full_name: Cahue, Kiana A.
  last_name: Cahue
- first_name: Brett H.
  full_name: Pogostin, Brett H.
  last_name: Pogostin
- first_name: Adam C.
  full_name: Farsheed, Adam C.
  last_name: Farsheed
- first_name: Joseph W.R.
  full_name: Swain, Joseph W.R.
  last_name: Swain
- first_name: Thi H.
  full_name: Bui, Thi H.
  last_name: Bui
- first_name: Arghadip
  full_name: Dey, Arghadip
  last_name: Dey
- first_name: Jonathan T.
  full_name: Makhoul, Jonathan T.
  last_name: Makhoul
- first_name: Marija
  full_name: Dubackic, Marija
  last_name: Dubackic
- first_name: Antara
  full_name: Pal, Antara
  last_name: Pal
- first_name: Ulf
  full_name: Olsson, Ulf
  last_name: Olsson
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
- first_name: Edward H.
  full_name: Egelman, Edward H.
  last_name: Egelman
- first_name: Jeffrey D.
  full_name: Hartgerink, Jeffrey D.
  last_name: Hartgerink
citation:
  ama: Cole CC, Kreutzberger MAB, Klein K, et al. Supramolecular assembly of collagen-mimetic
    eptide D-periodic fibrils and nanoassemblies. <i>Biomacromolecules</i>. 2026;27(4):2956-2965.
    doi:<a href="https://doi.org/10.1021/acs.biomac.6c00345">10.1021/acs.biomac.6c00345</a>
  apa: Cole, C. C., Kreutzberger, M. A. B., Klein, K., Cahue, K. A., Pogostin, B.
    H., Farsheed, A. C., … Hartgerink, J. D. (2026). Supramolecular assembly of collagen-mimetic
    eptide D-periodic fibrils and nanoassemblies. <i>Biomacromolecules</i>. American
    Chemical Society. <a href="https://doi.org/10.1021/acs.biomac.6c00345">https://doi.org/10.1021/acs.biomac.6c00345</a>
  chicago: Cole, Carson C., Mark A.B. Kreutzberger, Kevin Klein, Kiana A. Cahue, Brett
    H. Pogostin, Adam C. Farsheed, Joseph W.R. Swain, et al. “Supramolecular Assembly
    of Collagen-Mimetic Eptide D-Periodic Fibrils and Nanoassemblies.” <i>Biomacromolecules</i>.
    American Chemical Society, 2026. <a href="https://doi.org/10.1021/acs.biomac.6c00345">https://doi.org/10.1021/acs.biomac.6c00345</a>.
  ieee: C. C. Cole <i>et al.</i>, “Supramolecular assembly of collagen-mimetic eptide
    D-periodic fibrils and nanoassemblies,” <i>Biomacromolecules</i>, vol. 27, no.
    4. American Chemical Society, pp. 2956–2965, 2026.
  ista: Cole CC, Kreutzberger MAB, Klein K, Cahue KA, Pogostin BH, Farsheed AC, Swain
    JWR, Bui TH, Dey A, Makhoul JT, Dubackic M, Pal A, Olsson U, Šarić A, Egelman
    EH, Hartgerink JD. 2026. Supramolecular assembly of collagen-mimetic eptide D-periodic
    fibrils and nanoassemblies. Biomacromolecules. 27(4), 2956–2965.
  mla: Cole, Carson C., et al. “Supramolecular Assembly of Collagen-Mimetic Eptide
    D-Periodic Fibrils and Nanoassemblies.” <i>Biomacromolecules</i>, vol. 27, no.
    4, American Chemical Society, 2026, pp. 2956–65, doi:<a href="https://doi.org/10.1021/acs.biomac.6c00345">10.1021/acs.biomac.6c00345</a>.
  short: C.C. Cole, M.A.B. Kreutzberger, K. Klein, K.A. Cahue, B.H. Pogostin, A.C.
    Farsheed, J.W.R. Swain, T.H. Bui, A. Dey, J.T. Makhoul, M. Dubackic, A. Pal, U.
    Olsson, A. Šarić, E.H. Egelman, J.D. Hartgerink, Biomacromolecules 27 (2026) 2956–2965.
date_created: 2026-04-19T22:07:46Z
date_published: 2026-04-13T00:00:00Z
date_updated: 2026-05-06T05:43:44Z
day: '13'
department:
- _id: AnSa
doi: 10.1021/acs.biomac.6c00345
intvolume: '        27'
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1101/2025.02.15.637692
month: '04'
oa: 1
oa_version: Preprint
page: 2956-2965
publication: Biomacromolecules
publication_identifier:
  eissn:
  - 1526-4602
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Supramolecular assembly of collagen-mimetic eptide D-periodic fibrils and nanoassemblies
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 27
year: '2026'
...
---
OA_place: publisher
OA_type: hybrid
_id: '21761'
abstract:
- lang: eng
  text: Neural tube closure is a critical morphogenetic process in vertebrate development,
    and failure to close cranial regions such as the hindbrain neuropore (HNP) leads
    to severe congenital malformations. While mechanical forces such as actomyosin
    purse-string contraction and directional cell crawling have been implicated in
    driving HNP closure, how these forces organize local cell shape and motion to
    produce large-scale tissue remodeling remains poorly understood. Using live and
    fixed imaging of mouse embryos combined with cell-based biophysical modeling,
    we show that these force-generating mechanisms are insufficient to explain the
    reproducible patterns of cell elongation and nematic alignment observed at the
    HNP border. Instead, we show that local anisotropic stress and cytoskeletal organization
    are required to generate these patterns and promote midline cell motion. Our model
    captures key features of cell shape dynamics and emergent nematic order, which
    we confirm experimentally, including the alignment of actin fibers with cell shape
    and enhanced midline cell speed. Comparative analysis with chick embryos, which
    lack supracellular purse strings, supports a conserved link between tension generation
    and cellular patterning. These findings establish a physical framework connecting
    force generation, cell shape anisotropy, and tissue morphodynamics during epithelial
    gap closure.
acknowledgement: S.B. acknowledges support from the National Institutes of Health
  (NIH R35 GM143042) and the National Science Foundation (NSF MCB-2203601). G.L.G.
  acknowledges support from the Wellcome Trust (211112/Z/18/Z), the Royal Society
  (RG\R2\232082), and the Leverhulme Trust (RPG-2024-147). E.M. acknowledges support
  from European Union’s Horizon 2021 Marie Sklodowska-Curie grant agreement no. 101067028.
  F.P.-V. acknowledges support from the NOMIS foundation. The surface subtraction
  macro is courtesy of Dr. Dale Moulding and available on GitHub (https://github.com/DaleMoulding/Fiji-Macros).
article_processing_charge: Yes (in subscription journal)
article_type: original
author:
- first_name: Fernanda L
  full_name: Perez Verdugo, Fernanda L
  id: 4ecec223-9070-11ef-a0a9-bc76077bea8d
  last_name: Perez Verdugo
- first_name: Eirini
  full_name: Maniou, Eirini
  last_name: Maniou
- first_name: Gabriel L.
  full_name: Galea, Gabriel L.
  last_name: Galea
- first_name: Shiladitya
  full_name: Banerjee, Shiladitya
  last_name: Banerjee
citation:
  ama: Perez Verdugo FL, Maniou E, Galea GL, Banerjee S. Mechanosensitive feedback
    organizes cell shape and motion during hindbrain neuropore morphogenesis. <i>Current
    Biology</i>. 2026;36(8):1903-1917.e5. doi:<a href="https://doi.org/10.1016/j.cub.2026.02.068">10.1016/j.cub.2026.02.068</a>
  apa: Perez Verdugo, F. L., Maniou, E., Galea, G. L., &#38; Banerjee, S. (2026).
    Mechanosensitive feedback organizes cell shape and motion during hindbrain neuropore
    morphogenesis. <i>Current Biology</i>. Elsevier. <a href="https://doi.org/10.1016/j.cub.2026.02.068">https://doi.org/10.1016/j.cub.2026.02.068</a>
  chicago: Perez Verdugo, Fernanda L, Eirini Maniou, Gabriel L. Galea, and Shiladitya
    Banerjee. “Mechanosensitive Feedback Organizes Cell Shape and Motion during Hindbrain
    Neuropore Morphogenesis.” <i>Current Biology</i>. Elsevier, 2026. <a href="https://doi.org/10.1016/j.cub.2026.02.068">https://doi.org/10.1016/j.cub.2026.02.068</a>.
  ieee: F. L. Perez Verdugo, E. Maniou, G. L. Galea, and S. Banerjee, “Mechanosensitive
    feedback organizes cell shape and motion during hindbrain neuropore morphogenesis,”
    <i>Current Biology</i>, vol. 36, no. 8. Elsevier, p. 1903–1917.e5, 2026.
  ista: Perez Verdugo FL, Maniou E, Galea GL, Banerjee S. 2026. Mechanosensitive feedback
    organizes cell shape and motion during hindbrain neuropore morphogenesis. Current
    Biology. 36(8), 1903–1917.e5.
  mla: Perez Verdugo, Fernanda L., et al. “Mechanosensitive Feedback Organizes Cell
    Shape and Motion during Hindbrain Neuropore Morphogenesis.” <i>Current Biology</i>,
    vol. 36, no. 8, Elsevier, 2026, p. 1903–1917.e5, doi:<a href="https://doi.org/10.1016/j.cub.2026.02.068">10.1016/j.cub.2026.02.068</a>.
  short: F.L. Perez Verdugo, E. Maniou, G.L. Galea, S. Banerjee, Current Biology 36
    (2026) 1903–1917.e5.
date_created: 2026-04-26T22:01:46Z
date_published: 2026-04-20T00:00:00Z
date_updated: 2026-04-28T13:15:42Z
day: '20'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1016/j.cub.2026.02.068
external_id:
  pmid:
  - '41881011'
file:
- access_level: open_access
  checksum: 80ae45457b4682c50c84f54de15aa9a8
  content_type: application/pdf
  creator: dernst
  date_created: 2026-04-28T13:13:40Z
  date_updated: 2026-04-28T13:13:40Z
  file_id: '21774'
  file_name: 2026_CurrentBiology_PerezVerdugo.pdf
  file_size: 13402043
  relation: main_file
  success: 1
file_date_updated: 2026-04-28T13:13:40Z
has_accepted_license: '1'
intvolume: '        36'
issue: '8'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
page: 1903-1917.e5
pmid: 1
publication: Current Biology
publication_identifier:
  eissn:
  - 1879-0445
  issn:
  - 0960-9822
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Mechanosensitive feedback organizes cell shape and motion during hindbrain
  neuropore morphogenesis
tmp:
  image: /images/cc_by_nc_nd.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
    (CC BY-NC-ND 4.0)
  short: CC BY-NC-ND (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 36
year: '2026'
...
---
OA_place: publisher
OA_type: hybrid
PlanS_conform: '1'
_id: '21764'
abstract:
- lang: eng
  text: "Colloidal fluids can exhibit complex phase behavior and determining phase
    diagrams via experiments or computer simulations can be laborious. We demonstrate
    that the dispersion relation ω(k), obtained from dynamical density functional
    theory for the uniform density system, is a highly versatile tool for predicting
    where in the phase diagram complex crystals form. The sign of ω(k) determines
    whether density modes with wave number k grow or decay over time. We demonstrate
    the predictive power by investigating the complex phase behavior of particles
    interacting via core-shoulder pair potentials. With complementary Monte Carlo
    simulations, we show that regions of the phase diagram where ωðkÞ has one or several
    unstable (growing) wave numbers are also where crystalline phases occur. Going
    further, by tuning these\r\nunstable wave numbers via the interaction-potential
    and state-point parameters, we design systems with quasicrystals in the phase
    diagram. We identify a system with a certain shoulder range exhibiting at least
    ten different phases. Our general approach accelerates considerably the mapping
    of complex phase diagrams, crucial for the design of new materials."
acknowledgement: "The authors thank Ms. Katrin Muck for her guidance related to the
  use of HPC. The MC\r\ncomputer simulation results presented here were enabled via
  a generous share of CPU time, offered by the Vienna Scientific Cluster (VSC) under
  Project No. 71263. A. J. A. gratefully acknowledges support from the EPSRC under
  Grant No. EP/P015689/1. This research was funded in part by the Austrian Science
  Fund (FWF) [Grant DOI: 10.55776/PIN8759524], gratefully acknowledged by G. K ."
article_number: '148203'
article_processing_charge: Yes (in subscription journal)
article_type: original
arxiv: 1
author:
- first_name: Michael
  full_name: Wassermair, Michael
  id: 23d132c4-4e98-11ef-b275-9e8d4cd8c917
  last_name: Wassermair
  orcid: 0009-0003-6339-4051
- first_name: Gerhard
  full_name: Kahl, Gerhard
  last_name: Kahl
- first_name: Roland
  full_name: Roth, Roland
  last_name: Roth
- first_name: Andrew J.
  full_name: Archer, Andrew J.
  last_name: Archer
citation:
  ama: Wassermair M, Kahl G, Roth R, Archer AJ. Navigating complex phase diagrams
    in soft matter systems. <i>Physical Review Letters</i>. 2026;136(14). doi:<a href="https://doi.org/10.1103/nbvt-fgjy">10.1103/nbvt-fgjy</a>
  apa: Wassermair, M., Kahl, G., Roth, R., &#38; Archer, A. J. (2026). Navigating
    complex phase diagrams in soft matter systems. <i>Physical Review Letters</i>.
    American Physical Society. <a href="https://doi.org/10.1103/nbvt-fgjy">https://doi.org/10.1103/nbvt-fgjy</a>
  chicago: Wassermair, Michael, Gerhard Kahl, Roland Roth, and Andrew J. Archer. “Navigating
    Complex Phase Diagrams in Soft Matter Systems.” <i>Physical Review Letters</i>.
    American Physical Society, 2026. <a href="https://doi.org/10.1103/nbvt-fgjy">https://doi.org/10.1103/nbvt-fgjy</a>.
  ieee: M. Wassermair, G. Kahl, R. Roth, and A. J. Archer, “Navigating complex phase
    diagrams in soft matter systems,” <i>Physical Review Letters</i>, vol. 136, no.
    14. American Physical Society, 2026.
  ista: Wassermair M, Kahl G, Roth R, Archer AJ. 2026. Navigating complex phase diagrams
    in soft matter systems. Physical Review Letters. 136(14), 148203.
  mla: Wassermair, Michael, et al. “Navigating Complex Phase Diagrams in Soft Matter
    Systems.” <i>Physical Review Letters</i>, vol. 136, no. 14, 148203, American Physical
    Society, 2026, doi:<a href="https://doi.org/10.1103/nbvt-fgjy">10.1103/nbvt-fgjy</a>.
  short: M. Wassermair, G. Kahl, R. Roth, A.J. Archer, Physical Review Letters 136
    (2026).
date_created: 2026-04-26T22:01:47Z
date_published: 2026-04-10T00:00:00Z
date_updated: 2026-04-28T07:03:48Z
day: '10'
ddc:
- '530'
department:
- _id: AnSa
- _id: GradSch
doi: 10.1103/nbvt-fgjy
external_id:
  arxiv:
  - '2603.18918'
file:
- access_level: open_access
  checksum: 8ffb139122a185fcddbe6a9c901a287c
  content_type: application/pdf
  creator: dernst
  date_created: 2026-04-28T06:58:40Z
  date_updated: 2026-04-28T06:58:40Z
  file_id: '21769'
  file_name: 2026_PhysicalReviewLetters_Wassermair.pdf
  file_size: 4336488
  relation: main_file
  success: 1
file_date_updated: 2026-04-28T06:58:40Z
has_accepted_license: '1'
intvolume: '       136'
issue: '14'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
publication: Physical Review Letters
publication_identifier:
  eissn:
  - 1079-7114
  issn:
  - 0031-9007
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Navigating complex phase diagrams in soft matter systems
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 136
year: '2026'
...
---
OA_place: repository
OA_type: green
_id: '21800'
abstract:
- lang: eng
  text: 'LAMMPS input scripts to simulate toroidal vesicles composed of pure bolalipid
    membranes and archaeal mixture membranes for the following publication: "Cracking
    donuts and sorting lipids: geometry controls archaeal membrane stability and lipid
    organization" by Felix Frey, Miguel Amaral, and Andela Saric.'
article_processing_charge: No
author:
- first_name: Felix F
  full_name: Frey, Felix F
  id: a0270b37-8f1a-11ec-95c7-8e710c59a4f3
  last_name: Frey
  orcid: 0000-0001-8501-6017
- first_name: Miguel
  full_name: Santana de Freitas Amaral, Miguel
  id: 4f2d02dd-47a9-11ec-ad10-82820ed3f501
  last_name: Santana de Freitas Amaral
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
citation:
  ama: 'Frey FF, Santana de Freitas Amaral M, Šarić A. Cracking donuts and sorting
    lipids: Geometry controls archaeal membrane stability and lipid organization.
    2026. doi:<a href="https://doi.org/10.5281/ZENODO.18772086">10.5281/ZENODO.18772086</a>'
  apa: 'Frey, F. F., Santana de Freitas Amaral, M., &#38; Šarić, A. (2026). Cracking
    donuts and sorting lipids: Geometry controls archaeal membrane stability and lipid
    organization. Zenodo. <a href="https://doi.org/10.5281/ZENODO.18772086">https://doi.org/10.5281/ZENODO.18772086</a>'
  chicago: 'Frey, Felix F, Miguel Santana de Freitas Amaral, and Anđela Šarić. “Cracking
    Donuts and Sorting Lipids: Geometry Controls Archaeal Membrane Stability and Lipid
    Organization.” Zenodo, 2026. <a href="https://doi.org/10.5281/ZENODO.18772086">https://doi.org/10.5281/ZENODO.18772086</a>.'
  ieee: 'F. F. Frey, M. Santana de Freitas Amaral, and A. Šarić, “Cracking donuts
    and sorting lipids: Geometry controls archaeal membrane stability and lipid organization.”
    Zenodo, 2026.'
  ista: 'Frey FF, Santana de Freitas Amaral M, Šarić A. 2026. Cracking donuts and
    sorting lipids: Geometry controls archaeal membrane stability and lipid organization,
    Zenodo, <a href="https://doi.org/10.5281/ZENODO.18772086">10.5281/ZENODO.18772086</a>.'
  mla: 'Frey, Felix F., et al. <i>Cracking Donuts and Sorting Lipids: Geometry Controls
    Archaeal Membrane Stability and Lipid Organization</i>. Zenodo, 2026, doi:<a href="https://doi.org/10.5281/ZENODO.18772086">10.5281/ZENODO.18772086</a>.'
  short: F.F. Frey, M. Santana de Freitas Amaral, A. Šarić, (2026).
corr_author: '1'
date_created: 2026-05-05T12:11:52Z
date_published: 2026-02-25T00:00:00Z
date_updated: 2026-05-05T12:40:41Z
day: '25'
ddc:
- '540'
department:
- _id: AnSa
doi: 10.5281/ZENODO.18772086
main_file_link:
- open_access: '1'
  url: https://doi.org/10.5281/ZENODO.18772086
month: '02'
oa: 1
oa_version: Published Version
publisher: Zenodo
related_material:
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    relation: used_in_publication
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status: public
title: 'Cracking donuts and sorting lipids: Geometry controls archaeal membrane stability
  and lipid organization'
type: research_data_reference
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2026'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
PlanS_conform: '1'
_id: '21369'
abstract:
- lang: eng
  text: 'Formation of new amyloid fibrils and oligomers from monomeric protein on
    the surfaces of existing fibrils is an important driver of many disorders such
    as Alzheimer’s and Parkinson’s diseases. The structural basis of this secondary
    nucleation process, however, is poorly understood. Here, we ask whether secondary
    nucleation sites are found predominantly at rare growth defects: irregularities
    in the fibril core structure incorporated during their original assembly. We first
    demonstrate using the specific inhibitor of secondary nucleation, Brichos, that
    secondary nucleation sites on Alzheimer’s disease-associated fibrils composed
    of Aβ40 and Aβ42 peptides are rare compared to the number of protein molecules
    they contain. We then grow Aβ40 fibrils under conditions designed to eliminate
    most growth defects while leaving the regular fibril morphology unchanged, and
    confirm the latter using cryo-electron microscopy. We measure both the ability
    of these annealed fibrils to promote secondary nucleation and the stoichiometry
    of their secondary nucleation sites, finding that both are greatly reduced as
    predicted. Re-analysis of published data for other proteins suggests that fibril
    growth defects may also drive secondary nucleation generally across most amyloids.
    These findings could unlock structure-based drug design of therapeutics that aim
    to halt amyloid disorders by inhibiting secondary nucleation sites.'
acknowledgement: This work was supported by the Swedish Research Council (2019-02397
  to E.S., 2015-00143 to S.L., and 2022-06641 to S.L. and E.S.), and the GenerationNano
  project, the European Union’s Horizon 2020 research and innovation programme under
  the Marie Skłodowska-Curie grant agreement No 945378 (S.L. co-PI). We acknowledge
  support from the Wellcome Trust (T.P.J.K.), the Cambridge Centre for Misfolding
  Diseases (T.P.J.K.), the BBSRC (T.P.J.K.), the Frances and Augustus Newman Foundation
  (T.P.J.K.), the ERC PhysProt (agreement n 337969) (T.S., T.P.J.K., S.L.), ETC StG
  “NEPA” (A.Š. and S.C.), the Royal Society (S.C., A.S.), the ERASMUS Programme (T.S.),
  and The Danish Council for Independent Research ∣ Natural Sciences (FNU-11-113326)
  (M.A.). This work was also funded by the Novo Nordisk Foundation (#NNF19OC0054635
  to S.L.), ETH Zürich (T.C.T.M.), and the Swiss National Science Foundation (grant
  no 219703 to A.J.D. and T.C.T.M.). We acknowledge the use of the nano-Characterisation
  and nano-Manufacturing Research Equipment (nCHREM) facility for access to microscopy
  instrumentation. We are grateful to the late Professor Sir Christopher Dobson for
  invaluable conversations regarding the microfluidic diffusional sizing experiments.
  We are also grateful to Quentin A. E. Peter and Thomas Müller for their guidance
  on microfluidic device design. The cuvette-filled icon in Fig. 3d is by Servier
  [https://smart.servier.com/]. It is licensed under CC-BY 3.0 Unported [https://creativecommons.org/licenses/by/3.0/].
  The authors would like to acknowledge Umeå Centre for Electron Microscopy (UCEM)
  for technical assistance and access to electron microscopy. Support was provided
  by SciLifeLab national Cryo-EM Unit at Umeå University.
article_number: '1933'
article_processing_charge: Yes
article_type: original
author:
- first_name: Jing
  full_name: Hu, Jing
  last_name: Hu
- first_name: Tom
  full_name: Scheidt, Tom
  last_name: Scheidt
- first_name: Dev
  full_name: Thacker, Dev
  last_name: Thacker
- first_name: Emil
  full_name: Axell, Emil
  last_name: Axell
- first_name: Elin
  full_name: Stemme, Elin
  last_name: Stemme
- first_name: Urszula
  full_name: Łapińska, Urszula
  last_name: Łapińska
- first_name: Stefan
  full_name: Wennmalm, Stefan
  last_name: Wennmalm
- first_name: Georg
  full_name: Meisl, Georg
  last_name: Meisl
- first_name: Samo
  full_name: Curk, Samo
  id: 031eff0d-d481-11ee-8508-cd12a7a86e5b
  last_name: Curk
  orcid: 0000-0001-6160-9766
- first_name: Maria
  full_name: Andreasen, Maria
  last_name: Andreasen
- first_name: Michele
  full_name: Vendruscolo, Michele
  last_name: Vendruscolo
- first_name: Paolo
  full_name: Arosio, Paolo
  last_name: Arosio
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
- first_name: Jeremy D.
  full_name: Schmit, Jeremy D.
  last_name: Schmit
- first_name: Tuomas P.J.
  full_name: Knowles, Tuomas P.J.
  last_name: Knowles
- first_name: Emma
  full_name: Sparr, Emma
  last_name: Sparr
- first_name: Sara
  full_name: Linse, Sara
  last_name: Linse
- first_name: Thomas C.T.
  full_name: Michaels, Thomas C.T.
  last_name: Michaels
- first_name: Alexander J.
  full_name: Dear, Alexander J.
  last_name: Dear
citation:
  ama: Hu J, Scheidt T, Thacker D, et al. Structural defects in amyloid-β fibrils
    drive secondary nucleation. <i>Nature Communications</i>. 2026;17. doi:<a href="https://doi.org/10.1038/s41467-026-69377-1">10.1038/s41467-026-69377-1</a>
  apa: Hu, J., Scheidt, T., Thacker, D., Axell, E., Stemme, E., Łapińska, U., … Dear,
    A. J. (2026). Structural defects in amyloid-β fibrils drive secondary nucleation.
    <i>Nature Communications</i>. Springer Nature. <a href="https://doi.org/10.1038/s41467-026-69377-1">https://doi.org/10.1038/s41467-026-69377-1</a>
  chicago: Hu, Jing, Tom Scheidt, Dev Thacker, Emil Axell, Elin Stemme, Urszula Łapińska,
    Stefan Wennmalm, et al. “Structural Defects in Amyloid-β Fibrils Drive Secondary
    Nucleation.” <i>Nature Communications</i>. Springer Nature, 2026. <a href="https://doi.org/10.1038/s41467-026-69377-1">https://doi.org/10.1038/s41467-026-69377-1</a>.
  ieee: J. Hu <i>et al.</i>, “Structural defects in amyloid-β fibrils drive secondary
    nucleation,” <i>Nature Communications</i>, vol. 17. Springer Nature, 2026.
  ista: Hu J, Scheidt T, Thacker D, Axell E, Stemme E, Łapińska U, Wennmalm S, Meisl
    G, Curk S, Andreasen M, Vendruscolo M, Arosio P, Šarić A, Schmit JD, Knowles TPJ,
    Sparr E, Linse S, Michaels TCT, Dear AJ. 2026. Structural defects in amyloid-β
    fibrils drive secondary nucleation. Nature Communications. 17, 1933.
  mla: Hu, Jing, et al. “Structural Defects in Amyloid-β Fibrils Drive Secondary Nucleation.”
    <i>Nature Communications</i>, vol. 17, 1933, Springer Nature, 2026, doi:<a href="https://doi.org/10.1038/s41467-026-69377-1">10.1038/s41467-026-69377-1</a>.
  short: J. Hu, T. Scheidt, D. Thacker, E. Axell, E. Stemme, U. Łapińska, S. Wennmalm,
    G. Meisl, S. Curk, M. Andreasen, M. Vendruscolo, P. Arosio, A. Šarić, J.D. Schmit,
    T.P.J. Knowles, E. Sparr, S. Linse, T.C.T. Michaels, A.J. Dear, Nature Communications
    17 (2026).
date_created: 2026-03-01T23:01:38Z
date_published: 2026-02-20T00:00:00Z
date_updated: 2026-03-02T09:36:48Z
day: '20'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1038/s41467-026-69377-1
ec_funded: 1
external_id:
  pmid:
  - '41708600'
file:
- access_level: open_access
  checksum: fa2b55b3a0d8978de7d2d061c7ad8779
  content_type: application/pdf
  creator: dernst
  date_created: 2026-03-02T09:34:18Z
  date_updated: 2026-03-02T09:34:18Z
  file_id: '21377'
  file_name: 2026_NatureComm_Hu.pdf
  file_size: 4821073
  relation: main_file
  success: 1
file_date_updated: 2026-03-02T09:34:18Z
has_accepted_license: '1'
intvolume: '        17'
language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
pmid: 1
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
publication: Nature Communications
publication_identifier:
  eissn:
  - 2041-1723
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Structural defects in amyloid-β fibrils drive secondary nucleation
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 17
year: '2026'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '19846'
abstract:
- lang: eng
  text: The Ca2+-release-activated Ca2+ (CRAC) channel Orai1 is activated by interaction
    with the Ca2+ sensor Stromal Interaction Molecule 1 (STIM1). Owing to the lack
    of structurally resolved Orai1/STIM1 complexes, the impact of their coupling on
    individual Orai1 transmembrane domain (TM) movements is unclear. This study investigates
    STIM1-independent and STIM1-dependent Orai1-TM dynamics using photocrosslinking
    unnatural amino acids (UAAs) at each individual TM position. We primarily identify
    CRAC-channel-like currents directly after UAA incorporation or additional UV-light
    irradiation at TM3 sites that interface with non-pore-lining TMs. Using UAAs combined
    with conventional site-directed mutagenesis and molecular dynamics simulations,
    we discover that pore opening involves a widening of interfaces formed by TM3
    with non-pore-lining TMs. Orai1 mutants with a UAA in TM3 exhibit weaker STIM1-induced
    activation after UV exposure, possibly caused by a restricted widening of non-pore-lining
    TM interfaces. We demonstrate that photocrosslinking UAAs are excellent tools
    for improving our understanding of key determinants and ion channel dynamics modulating
    pore opening.
acknowledgement: We thank S. Buchegger for excellent technical assistance. This research
  was funded by the Austrian Science Fund (FWF) projects https://doi.org/10.55776/P32851,
  https://doi.org/10.55776/P35900, and https://doi.org/10.55776/P36202 to I.D. and
  https://doi.org/10.55776/PAT6871323 to A.T. N.M. is funded within the DOC program
  of the OeAW (Austrian Academy of Science). For open access purposes, the author
  has applied a CC BY public copyright license to any author-accepted manuscript version
  arising from this submission.
article_number: '102623'
article_processing_charge: Yes
article_type: original
author:
- first_name: Hadil
  full_name: Najjar, Hadil
  last_name: Najjar
- first_name: Sarah
  full_name: Weiß, Sarah
  last_name: Weiß
- first_name: Ferdinand
  full_name: Horvath, Ferdinand
  id: b0dc7f61-21a3-11ef-a9b4-e6ab1aa6f21e
  last_name: Horvath
- first_name: Valentina
  full_name: Hopl, Valentina
  last_name: Hopl
- first_name: Adéla
  full_name: Tiffner, Adéla
  last_name: Tiffner
- first_name: Lorenz
  full_name: Höbarth, Lorenz
  last_name: Höbarth
- first_name: Julia
  full_name: Söllner, Julia
  last_name: Söllner
- first_name: Maximilian
  full_name: Fröhlich, Maximilian
  last_name: Fröhlich
- first_name: Magdalena
  full_name: Prantl, Magdalena
  last_name: Prantl
- first_name: Nora
  full_name: Müller, Nora
  last_name: Müller
- first_name: Yuliia
  full_name: Nazarenko, Yuliia
  last_name: Nazarenko
- first_name: Selina
  full_name: Harant, Selina
  last_name: Harant
- first_name: Lukas
  full_name: Weissenböck, Lukas
  last_name: Weissenböck
- first_name: Herwig
  full_name: Grabmayr, Herwig
  last_name: Grabmayr
- first_name: Matthias
  full_name: Sallinger, Matthias
  last_name: Sallinger
- first_name: Lena
  full_name: Maltan, Lena
  last_name: Maltan
- first_name: Linda V.
  full_name: Echefu, Linda V.
  last_name: Echefu
- first_name: Tamara
  full_name: Radiskovic, Tamara
  last_name: Radiskovic
- first_name: Melanie
  full_name: Leopold, Melanie
  last_name: Leopold
- first_name: Sonja
  full_name: Lindinger, Sonja
  last_name: Lindinger
- first_name: Christina
  full_name: Humer, Christina
  last_name: Humer
- first_name: Carmen
  full_name: Höglinger, Carmen
  last_name: Höglinger
- first_name: Heinrich
  full_name: Krobath, Heinrich
  last_name: Krobath
- first_name: Thomas
  full_name: Renger, Thomas
  last_name: Renger
- first_name: Isabella
  full_name: Derler, Isabella
  last_name: Derler
citation:
  ama: Najjar H, Weiß S, Horvath F, et al. STIM1-induced widening of non-pore-lining
    TM interfaces is crucial for Orai1 pore opening. <i>Cell Reports Physical Science</i>.
    2025;6(6). doi:<a href="https://doi.org/10.1016/j.xcrp.2025.102623">10.1016/j.xcrp.2025.102623</a>
  apa: Najjar, H., Weiß, S., Horvath, F., Hopl, V., Tiffner, A., Höbarth, L., … Derler,
    I. (2025). STIM1-induced widening of non-pore-lining TM interfaces is crucial
    for Orai1 pore opening. <i>Cell Reports Physical Science</i>. Elsevier. <a href="https://doi.org/10.1016/j.xcrp.2025.102623">https://doi.org/10.1016/j.xcrp.2025.102623</a>
  chicago: Najjar, Hadil, Sarah Weiß, Ferdinand Horvath, Valentina Hopl, Adéla Tiffner,
    Lorenz Höbarth, Julia Söllner, et al. “STIM1-Induced Widening of Non-Pore-Lining
    TM Interfaces Is Crucial for Orai1 Pore Opening.” <i>Cell Reports Physical Science</i>.
    Elsevier, 2025. <a href="https://doi.org/10.1016/j.xcrp.2025.102623">https://doi.org/10.1016/j.xcrp.2025.102623</a>.
  ieee: H. Najjar <i>et al.</i>, “STIM1-induced widening of non-pore-lining TM interfaces
    is crucial for Orai1 pore opening,” <i>Cell Reports Physical Science</i>, vol.
    6, no. 6. Elsevier, 2025.
  ista: Najjar H, Weiß S, Horvath F, Hopl V, Tiffner A, Höbarth L, Söllner J, Fröhlich
    M, Prantl M, Müller N, Nazarenko Y, Harant S, Weissenböck L, Grabmayr H, Sallinger
    M, Maltan L, Echefu LV, Radiskovic T, Leopold M, Lindinger S, Humer C, Höglinger
    C, Krobath H, Renger T, Derler I. 2025. STIM1-induced widening of non-pore-lining
    TM interfaces is crucial for Orai1 pore opening. Cell Reports Physical Science.
    6(6), 102623.
  mla: Najjar, Hadil, et al. “STIM1-Induced Widening of Non-Pore-Lining TM Interfaces
    Is Crucial for Orai1 Pore Opening.” <i>Cell Reports Physical Science</i>, vol.
    6, no. 6, 102623, Elsevier, 2025, doi:<a href="https://doi.org/10.1016/j.xcrp.2025.102623">10.1016/j.xcrp.2025.102623</a>.
  short: H. Najjar, S. Weiß, F. Horvath, V. Hopl, A. Tiffner, L. Höbarth, J. Söllner,
    M. Fröhlich, M. Prantl, N. Müller, Y. Nazarenko, S. Harant, L. Weissenböck, H.
    Grabmayr, M. Sallinger, L. Maltan, L.V. Echefu, T. Radiskovic, M. Leopold, S.
    Lindinger, C. Humer, C. Höglinger, H. Krobath, T. Renger, I. Derler, Cell Reports
    Physical Science 6 (2025).
date_created: 2025-06-15T22:01:31Z
date_published: 2025-06-18T00:00:00Z
date_updated: 2025-09-30T12:53:15Z
day: '18'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1016/j.xcrp.2025.102623
external_id:
  isi:
  - '001516570500009'
file:
- access_level: open_access
  checksum: 37ff7c396f966d0ec363e4691d63d402
  content_type: application/pdf
  creator: dernst
  date_created: 2025-06-23T10:20:22Z
  date_updated: 2025-06-23T10:20:22Z
  file_id: '19868'
  file_name: 2025_CellReportsPhysicalScience_Najjar.pdf
  file_size: 9771117
  relation: main_file
  success: 1
file_date_updated: 2025-06-23T10:20:22Z
has_accepted_license: '1'
intvolume: '         6'
isi: 1
issue: '6'
language:
- iso: eng
month: '06'
oa: 1
oa_version: Published Version
publication: Cell Reports Physical Science
publication_identifier:
  eissn:
  - 2666-3864
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: STIM1-induced widening of non-pore-lining TM interfaces is crucial for Orai1
  pore opening
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: 6
year: '2025'
...
---
OA_place: publisher
OA_type: hybrid
_id: '20318'
abstract:
- lang: eng
  text: Lipid membranes and membrane deformations are a long-standing area of research
    in soft matter and biophysics. Computer simulations have complemented analytical
    and experimental approaches as one of the pillars in the field. However, setting
    up and using membrane simulations can come with barriers due to the multidisciplinary
    effort involved and the vast choice of existing simulations models. In this review,
    we introduce the non-expert reader to coarse-grained membrane simulations at the
    mesoscale. Firstly, we give a concise overview of the modelling approaches to
    study fluid membranes, together with guidance to more specialized references.
    Secondly, we provide a conceptual guide on how to develop mesoscale membrane simulations.
    Lastly, we construct a hands-on tutorial on how to apply mesoscale membrane simulations,
    by providing a pedagogical examination of membrane tether pulling, shape and mechanics
    of membrane tubes, and membrane fluctuations with three different membrane models,
    and discussing them in terms of their scope and how resource-intensive they are.
    To ease the reader's venture into the field, we provide a repository with ready-to-run
    tutorials.
acknowledgement: We thank Oded Farago, Angelo Cacciuto, Jeriann Beiter and Pietro
  Sillano for helpful discussions and a critical reading of the manuscript. MMB and
  AP acknowledge funding by the European Unions Horizon 2020 research and innovation
  programme under Marie Skłodowska-Curie Grant Agreement No. 101034413. FF acknowledges
  financial support by the NOMIS foundation. BM and AŠ acknowledge funding by ERC
  Starting Grant “NEPA” 802960. MA and AŠ acknowledge funding by the Volkswagen Foundation
  Grant Az 96727.
article_processing_charge: Yes (via OA deal)
article_type: original
arxiv: 1
author:
- first_name: Maitane
  full_name: Muñoz Basagoiti, Maitane
  id: 1a8a7950-82cd-11ed-bd4f-9624c913a607
  last_name: Muñoz Basagoiti
  orcid: 0000-0003-1483-1457
- first_name: Felix F
  full_name: Frey, Felix F
  id: a0270b37-8f1a-11ec-95c7-8e710c59a4f3
  last_name: Frey
  orcid: 0000-0001-8501-6017
- first_name: Billie
  full_name: Meadowcroft, Billie
  id: a4725fd6-932b-11ed-81e2-c098c7f37ae1
  last_name: Meadowcroft
  orcid: 0000-0003-3441-1337
- first_name: Miguel
  full_name: Santana de Freitas Amaral, Miguel
  id: 4f2d02dd-47a9-11ec-ad10-82820ed3f501
  last_name: Santana de Freitas Amaral
- first_name: Adam
  full_name: Prada, Adam
  id: a43ed60a-dd22-11ed-9bf7-b34133792ea9
  last_name: Prada
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
citation:
  ama: 'Muñoz Basagoiti M, Frey FF, Meadowcroft B, Santana de Freitas Amaral M, Prada
    A, Šarić A. A tutorial for mesoscale computer simulations of lipid membranes:
    Tether pulling, tubulation and fluctuations. <i>Soft Matter</i>. 2025;21(40):7736-7756.
    doi:<a href="https://doi.org/10.1039/d5sm00148j">10.1039/d5sm00148j</a>'
  apa: 'Muñoz Basagoiti, M., Frey, F. F., Meadowcroft, B., Santana de Freitas Amaral,
    M., Prada, A., &#38; Šarić, A. (2025). A tutorial for mesoscale computer simulations
    of lipid membranes: Tether pulling, tubulation and fluctuations. <i>Soft Matter</i>.
    Royal Society of Chemistry. <a href="https://doi.org/10.1039/d5sm00148j">https://doi.org/10.1039/d5sm00148j</a>'
  chicago: 'Muñoz Basagoiti, Maitane, Felix F Frey, Billie Meadowcroft, Miguel Santana
    de Freitas Amaral, Adam Prada, and Anđela Šarić. “A Tutorial for Mesoscale Computer
    Simulations of Lipid Membranes: Tether Pulling, Tubulation and Fluctuations.”
    <i>Soft Matter</i>. Royal Society of Chemistry, 2025. <a href="https://doi.org/10.1039/d5sm00148j">https://doi.org/10.1039/d5sm00148j</a>.'
  ieee: 'M. Muñoz Basagoiti, F. F. Frey, B. Meadowcroft, M. Santana de Freitas Amaral,
    A. Prada, and A. Šarić, “A tutorial for mesoscale computer simulations of lipid
    membranes: Tether pulling, tubulation and fluctuations,” <i>Soft Matter</i>, vol.
    21, no. 40. Royal Society of Chemistry, pp. 7736–7756, 2025.'
  ista: 'Muñoz Basagoiti M, Frey FF, Meadowcroft B, Santana de Freitas Amaral M, Prada
    A, Šarić A. 2025. A tutorial for mesoscale computer simulations of lipid membranes:
    Tether pulling, tubulation and fluctuations. Soft Matter. 21(40), 7736–7756.'
  mla: 'Muñoz Basagoiti, Maitane, et al. “A Tutorial for Mesoscale Computer Simulations
    of Lipid Membranes: Tether Pulling, Tubulation and Fluctuations.” <i>Soft Matter</i>,
    vol. 21, no. 40, Royal Society of Chemistry, 2025, pp. 7736–56, doi:<a href="https://doi.org/10.1039/d5sm00148j">10.1039/d5sm00148j</a>.'
  short: M. Muñoz Basagoiti, F.F. Frey, B. Meadowcroft, M. Santana de Freitas Amaral,
    A. Prada, A. Šarić, Soft Matter 21 (2025) 7736–7756.
corr_author: '1'
date_created: 2025-09-10T05:34:36Z
date_published: 2025-07-28T00:00:00Z
date_updated: 2025-12-30T10:16:52Z
day: '28'
ddc:
- '540'
department:
- _id: AnSa
doi: 10.1039/d5sm00148j
ec_funded: 1
external_id:
  arxiv:
  - '2502.09798'
  isi:
  - '001562846800001'
file:
- access_level: open_access
  checksum: 590bedad19b6f6d40a7ee036a056a6d9
  content_type: application/pdf
  creator: dernst
  date_created: 2025-12-30T10:16:40Z
  date_updated: 2025-12-30T10:16:40Z
  file_id: '20912'
  file_name: 2025_SoftMatter_MunozBasagoiti.pdf
  file_size: 4841140
  relation: main_file
  success: 1
file_date_updated: 2025-12-30T10:16:40Z
has_accepted_license: '1'
intvolume: '        21'
isi: 1
issue: '40'
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nc/4.0/
month: '07'
oa: 1
oa_version: Published Version
page: 7736-7756
project:
- _id: fc2ed2f7-9c52-11eb-aca3-c01059dda49c
  call_identifier: H2020
  grant_number: '101034413'
  name: 'IST-BRIDGE: International postdoctoral program'
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
- _id: 9B861AAC-BA93-11EA-9121-9846C619BF3A
  name: NOMIS Fellowship Program
- _id: eba0f67c-77a9-11ec-83b8-cc8501b3e222
  grant_number: '96752'
  name: 'The evolution of trafficking: from archaea to eukaryotes'
publication: Soft Matter
publication_identifier:
  eissn:
  - 1744-6848
  issn:
  - 1744-683X
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'A tutorial for mesoscale computer simulations of lipid membranes: Tether pulling,
  tubulation and fluctuations'
tmp:
  image: /images/cc_by_nc.png
  legal_code_url: https://creativecommons.org/licenses/by-nc/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)
  short: CC BY-NC (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 21
year: '2025'
...
---
OA_place: publisher
OA_type: hybrid
PlanS_conform: '1'
_id: '20477'
abstract:
- lang: eng
  text: An electric double-layer capacitor (EDLC) stores energy by modulating the
    spatial distribution of ions in the electrolytic solution that it contains. We
    determine the mean-field timescales for planar EDLC relaxation to equilibrium
    after a potential difference is applied. We tackle first the fully symmetric case,
    where positive and negative ionic species have the same valence and diffusivity,
    and then the general, more complex, asymmetric case. Depending on the applied
    voltage and salt concentration, different regimes appear, revealing a remarkably
    rich phenomenology relevant for nanocapacitors.
acknowledgement: This work has received funding from the European Union’s Horizon
  2020 and Horizon Europe research and innovation programs under the Marie Skłodowska-Curie
  Grants No. 674979-NANOTRANS (I. P., P. B. W., B. R., E. T.), No. 101034413 (I. P.),
  and No. 101119598-FLUXIONIC (M. D., B. R., E. T.), as well as from the European
  Research Council under Grant No. 863473 (B. R.). B. R. acknowledges financial support
  from the French Agence Nationale de la Recherche (ANR) under Grant No. ANR-21-CE29-0021-02
  (DIADEM). I. P. thanks Anđela Šarić for further support at ISTA.
article_number: '148002'
article_processing_charge: Yes (via OA deal)
article_type: original
arxiv: 1
author:
- first_name: Ivan
  full_name: Palaia, Ivan
  id: 9c805cd2-4b75-11ec-a374-db6dd0ed57fa
  last_name: Palaia
  orcid: ' 0000-0002-8843-9485 '
- first_name: Adelchi J.
  full_name: Asta, Adelchi J.
  last_name: Asta
- first_name: Megh
  full_name: Dutta, Megh
  last_name: Dutta
- first_name: Patrick B.
  full_name: Warren, Patrick B.
  last_name: Warren
- first_name: Benjamin
  full_name: Rotenberg, Benjamin
  last_name: Rotenberg
- first_name: Emmanuel
  full_name: Trizac, Emmanuel
  last_name: Trizac
citation:
  ama: Palaia I, Asta AJ, Dutta M, Warren PB, Rotenberg B, Trizac E. Charging dynamics
    of electric double-layer nanocapacitors in mean field. <i>Physical Review Letters</i>.
    2025;135(14). doi:<a href="https://doi.org/10.1103/72b9-c8cq">10.1103/72b9-c8cq</a>
  apa: Palaia, I., Asta, A. J., Dutta, M., Warren, P. B., Rotenberg, B., &#38; Trizac,
    E. (2025). Charging dynamics of electric double-layer nanocapacitors in mean field.
    <i>Physical Review Letters</i>. American Physical Society. <a href="https://doi.org/10.1103/72b9-c8cq">https://doi.org/10.1103/72b9-c8cq</a>
  chicago: Palaia, Ivan, Adelchi J. Asta, Megh Dutta, Patrick B. Warren, Benjamin
    Rotenberg, and Emmanuel Trizac. “Charging Dynamics of Electric Double-Layer Nanocapacitors
    in Mean Field.” <i>Physical Review Letters</i>. American Physical Society, 2025.
    <a href="https://doi.org/10.1103/72b9-c8cq">https://doi.org/10.1103/72b9-c8cq</a>.
  ieee: I. Palaia, A. J. Asta, M. Dutta, P. B. Warren, B. Rotenberg, and E. Trizac,
    “Charging dynamics of electric double-layer nanocapacitors in mean field,” <i>Physical
    Review Letters</i>, vol. 135, no. 14. American Physical Society, 2025.
  ista: Palaia I, Asta AJ, Dutta M, Warren PB, Rotenberg B, Trizac E. 2025. Charging
    dynamics of electric double-layer nanocapacitors in mean field. Physical Review
    Letters. 135(14), 148002.
  mla: Palaia, Ivan, et al. “Charging Dynamics of Electric Double-Layer Nanocapacitors
    in Mean Field.” <i>Physical Review Letters</i>, vol. 135, no. 14, 148002, American
    Physical Society, 2025, doi:<a href="https://doi.org/10.1103/72b9-c8cq">10.1103/72b9-c8cq</a>.
  short: I. Palaia, A.J. Asta, M. Dutta, P.B. Warren, B. Rotenberg, E. Trizac, Physical
    Review Letters 135 (2025).
corr_author: '1'
date_created: 2025-10-16T13:09:30Z
date_published: 2025-09-29T00:00:00Z
date_updated: 2025-12-01T15:02:16Z
day: '29'
ddc:
- '530'
department:
- _id: AnSa
doi: 10.1103/72b9-c8cq
ec_funded: 1
external_id:
  arxiv:
  - '2301.00610'
  isi:
  - '001587121300010'
file:
- access_level: open_access
  checksum: e29809fea48b18217d1779980f7117c4
  content_type: application/pdf
  creator: dernst
  date_created: 2025-10-23T11:57:20Z
  date_updated: 2025-10-23T11:57:20Z
  file_id: '20526'
  file_name: 2025_PhysReviewLetters_Palaia.pdf
  file_size: 480414
  relation: main_file
  success: 1
file_date_updated: 2025-10-23T11:57:20Z
has_accepted_license: '1'
intvolume: '       135'
isi: 1
issue: '14'
language:
- iso: eng
month: '09'
oa: 1
oa_version: Published Version
project:
- _id: fc2ed2f7-9c52-11eb-aca3-c01059dda49c
  call_identifier: H2020
  grant_number: '101034413'
  name: 'IST-BRIDGE: International postdoctoral program'
publication: Physical Review Letters
publication_identifier:
  eissn:
  - 1079-7114
  issn:
  - 0031-9007
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Charging dynamics of electric double-layer nanocapacitors in mean field
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 135
year: '2025'
...
---
OA_place: publisher
OA_type: hybrid
PlanS_conform: '1'
_id: '20483'
abstract:
- lang: eng
  text: A parallel plate capacitor containing an electrolytic solution is the simplest
    model of a supercapacitor or electric double-layer capacitor. Using both analytical
    and numerical techniques, we solve the Poisson-Nernst-Planck equations for such
    a system, describing the mean-field charging dynamics of the capacitor, when a
    constant potential difference is abruptly applied to its plates. Working at constant
    total number of ions, we focus on the physical processes involved in the relaxation
    and, whenever possible, give its functional shape and exact time constants. We
    first review and study the case of a symmetric binary electrolyte, where we assume
    the two ionic species to have the same charges and diffusivities. We then relax
    these assumptions and present results for a generic strong (i.e fully dissociated)
    binary electrolyte. At low electrolyte concentration, the relaxation is simple
    to understand, as the dynamics of positive and negative ions appear decoupled.
    At higher electrolyte concentration, we distinguish several regimes. In the linear
    regime (low voltages), relaxation is multiexponential, it starts by the buildup
    of the equilibrium charge profile and continues with neutral mass diffusion, and
    the relevant timescales feature both the average and the Nernst-Hartley diffusion
    coefficients. In the purely nonlinear regime (intermediate voltages), the initial
    relaxation is slowed down exponentially due to increased capacitance, while bulk
    effects become more and more evident. In the fully nonlinear regime (high voltages),
    the dynamics of charge and mass are completely entangled and, asymptotically,
    the relaxation is linear in time. We finally discuss nonideal behavior in real
    capacitors and provide conditions for which mean-field is expected to hold.
acknowledgement: This work has received funding from the European Union's Horizon
  2020 and Horizon Europe research and innovation programs under the Marie Skłodowska-Curie
  Grants No. 674979-NANOTRANS (I.P., P.B.W., B.R., and E.T.), No. 101034413 (I.P.),
  and No. 101119598-FLUXIONIC (M.D., B.R., and E.T.), as well as from the European
  Research Council under Grant No. 863473 (B.R.). B.R. acknowledges financial support
  from the French Agence Nationale de la Recherche (ANR) under Grant No. ANR-21-CE29-0021-02
  (DIADEM). I.P. thanks Anđela Šarić for further support at ISTA.
article_number: '035417'
article_processing_charge: Yes (via OA deal)
article_type: original
arxiv: 1
author:
- first_name: Ivan
  full_name: Palaia, Ivan
  id: 9c805cd2-4b75-11ec-a374-db6dd0ed57fa
  last_name: Palaia
  orcid: ' 0000-0002-8843-9485 '
- first_name: Adelchi J.
  full_name: Asta, Adelchi J.
  last_name: Asta
- first_name: Megh
  full_name: Dutta, Megh
  last_name: Dutta
- first_name: Patrick B.
  full_name: Warren, Patrick B.
  last_name: Warren
- first_name: Benjamin
  full_name: Rotenberg, Benjamin
  last_name: Rotenberg
- first_name: Emmanuel
  full_name: Trizac, Emmanuel
  last_name: Trizac
citation:
  ama: 'Palaia I, Asta AJ, Dutta M, Warren PB, Rotenberg B, Trizac E. Poisson-Nernst-Planck
    charging dynamics of an electric double-layer capacitor: Symmetric and asymmetric
    binary electrolytes. <i>Physical Review E</i>. 2025;112(3). doi:<a href="https://doi.org/10.1103/p4dg-snqf">10.1103/p4dg-snqf</a>'
  apa: 'Palaia, I., Asta, A. J., Dutta, M., Warren, P. B., Rotenberg, B., &#38; Trizac,
    E. (2025). Poisson-Nernst-Planck charging dynamics of an electric double-layer
    capacitor: Symmetric and asymmetric binary electrolytes. <i>Physical Review E</i>.
    American Physical Society. <a href="https://doi.org/10.1103/p4dg-snqf">https://doi.org/10.1103/p4dg-snqf</a>'
  chicago: 'Palaia, Ivan, Adelchi J. Asta, Megh Dutta, Patrick B. Warren, Benjamin
    Rotenberg, and Emmanuel Trizac. “Poisson-Nernst-Planck Charging Dynamics of an
    Electric Double-Layer Capacitor: Symmetric and Asymmetric Binary Electrolytes.”
    <i>Physical Review E</i>. American Physical Society, 2025. <a href="https://doi.org/10.1103/p4dg-snqf">https://doi.org/10.1103/p4dg-snqf</a>.'
  ieee: 'I. Palaia, A. J. Asta, M. Dutta, P. B. Warren, B. Rotenberg, and E. Trizac,
    “Poisson-Nernst-Planck charging dynamics of an electric double-layer capacitor:
    Symmetric and asymmetric binary electrolytes,” <i>Physical Review E</i>, vol.
    112, no. 3. American Physical Society, 2025.'
  ista: 'Palaia I, Asta AJ, Dutta M, Warren PB, Rotenberg B, Trizac E. 2025. Poisson-Nernst-Planck
    charging dynamics of an electric double-layer capacitor: Symmetric and asymmetric
    binary electrolytes. Physical Review E. 112(3), 035417.'
  mla: 'Palaia, Ivan, et al. “Poisson-Nernst-Planck Charging Dynamics of an Electric
    Double-Layer Capacitor: Symmetric and Asymmetric Binary Electrolytes.” <i>Physical
    Review E</i>, vol. 112, no. 3, 035417, American Physical Society, 2025, doi:<a
    href="https://doi.org/10.1103/p4dg-snqf">10.1103/p4dg-snqf</a>.'
  short: I. Palaia, A.J. Asta, M. Dutta, P.B. Warren, B. Rotenberg, E. Trizac, Physical
    Review E 112 (2025).
corr_author: '1'
date_created: 2025-10-16T13:15:16Z
date_published: 2025-09-29T00:00:00Z
date_updated: 2025-12-01T13:06:51Z
day: '29'
ddc:
- '530'
department:
- _id: AnSa
doi: 10.1103/p4dg-snqf
ec_funded: 1
external_id:
  arxiv:
  - '2303.07859'
  isi:
  - '001586173200001'
file:
- access_level: open_access
  checksum: 658a9b1ce6b2edcf138b54c55a566f0e
  content_type: application/pdf
  creator: dernst
  date_created: 2025-10-23T09:15:56Z
  date_updated: 2025-10-23T09:15:56Z
  file_id: '20521'
  file_name: 2025_PhysReviewE_Palaia.pdf
  file_size: 1211712
  relation: main_file
  success: 1
file_date_updated: 2025-10-23T09:15:56Z
has_accepted_license: '1'
intvolume: '       112'
isi: 1
issue: '3'
language:
- iso: eng
month: '09'
oa: 1
oa_version: Published Version
project:
- _id: fc2ed2f7-9c52-11eb-aca3-c01059dda49c
  call_identifier: H2020
  grant_number: '101034413'
  name: 'IST-BRIDGE: International postdoctoral program'
publication: Physical Review E
publication_identifier:
  eissn:
  - 2470-0053
  issn:
  - 2470-0045
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Poisson-Nernst-Planck charging dynamics of an electric double-layer capacitor:
  Symmetric and asymmetric binary electrolytes'
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 112
year: '2025'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
_id: '18820'
abstract:
- lang: eng
  text: 'Feature selection is essential in the analysis of molecular systems and many
    other fields, but several uncertainties remain: What is the optimal number of
    features for a simplified, interpretable model that retains essential information?
    How should features with different units be aligned, and how should their relative
    importance be weighted? Here, we introduce the Differentiable Information Imbalance
    (DII), an automated method to rank information content between sets of features.
    Using distances in a ground truth feature space, DII identifies a low-dimensional
    subset of features that best preserves these relationships. Each feature is scaled
    by a weight, which is optimized by minimizing the DII through gradient descent.
    This allows simultaneously performing unit alignment and relative importance scaling,
    while preserving interpretability. DII can also produce sparse solutions and determine
    the optimal size of the reduced feature space. We demonstrate the usefulness of
    this approach on two benchmark molecular problems: (1) identifying collective
    variables that describe conformations of a biomolecule, and (2) selecting features
    for training a machine-learning force field. These results show the potential
    of DII in addressing feature selection challenges and optimizing dimensionality
    in various applications. The method is available in the Python library DADApy.'
acknowledgement: The authors thank Dr. Matteo Carli for providing the CLN025 replica
  exchange MD trajectory and Matteo Allione for the fruitful discussions connected
  with the idea of the linear scaling estimator. This work was partially funded by
  NextGenerationEU through the Italian National Centre for HPC, Big Data, and Quantum
  Computing (Grant No. CN00000013 received by A.L.). A.L. also acknowledges financial
  support by the region Friuli Venezia Giulia (project F53C22001770002 received by
  A.L.).
article_number: '270'
article_processing_charge: Yes
article_type: original
author:
- first_name: Romina
  full_name: Wild, Romina
  last_name: Wild
- first_name: Felix
  full_name: Wodaczek, Felix
  id: 8b4b6a9f-32b0-11ee-9fa8-bbe85e26258e
  last_name: Wodaczek
  orcid: 0009-0000-1457-795X
- first_name: Vittorio
  full_name: Del Tatto, Vittorio
  last_name: Del Tatto
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
- first_name: Alessandro
  full_name: Laio, Alessandro
  last_name: Laio
citation:
  ama: Wild R, Wodaczek F, Del Tatto V, Cheng B, Laio A. Automatic feature selection
    and weighting in molecular systems using Differentiable Information Imbalance.
    <i>Nature Communications</i>. 2025;16. doi:<a href="https://doi.org/10.1038/s41467-024-55449-7">10.1038/s41467-024-55449-7</a>
  apa: Wild, R., Wodaczek, F., Del Tatto, V., Cheng, B., &#38; Laio, A. (2025). Automatic
    feature selection and weighting in molecular systems using Differentiable Information
    Imbalance. <i>Nature Communications</i>. Springer Nature. <a href="https://doi.org/10.1038/s41467-024-55449-7">https://doi.org/10.1038/s41467-024-55449-7</a>
  chicago: Wild, Romina, Felix Wodaczek, Vittorio Del Tatto, Bingqing Cheng, and Alessandro
    Laio. “Automatic Feature Selection and Weighting in Molecular Systems Using Differentiable
    Information Imbalance.” <i>Nature Communications</i>. Springer Nature, 2025. <a
    href="https://doi.org/10.1038/s41467-024-55449-7">https://doi.org/10.1038/s41467-024-55449-7</a>.
  ieee: R. Wild, F. Wodaczek, V. Del Tatto, B. Cheng, and A. Laio, “Automatic feature
    selection and weighting in molecular systems using Differentiable Information
    Imbalance,” <i>Nature Communications</i>, vol. 16. Springer Nature, 2025.
  ista: Wild R, Wodaczek F, Del Tatto V, Cheng B, Laio A. 2025. Automatic feature
    selection and weighting in molecular systems using Differentiable Information
    Imbalance. Nature Communications. 16, 270.
  mla: Wild, Romina, et al. “Automatic Feature Selection and Weighting in Molecular
    Systems Using Differentiable Information Imbalance.” <i>Nature Communications</i>,
    vol. 16, 270, Springer Nature, 2025, doi:<a href="https://doi.org/10.1038/s41467-024-55449-7">10.1038/s41467-024-55449-7</a>.
  short: R. Wild, F. Wodaczek, V. Del Tatto, B. Cheng, A. Laio, Nature Communications
    16 (2025).
date_created: 2025-01-12T23:04:00Z
date_published: 2025-01-02T00:00:00Z
date_updated: 2025-02-27T12:41:25Z
day: '02'
ddc:
- '570'
department:
- _id: AnSa
- _id: BiCh
doi: 10.1038/s41467-024-55449-7
external_id:
  isi:
  - '001389959100009'
  pmid:
  - '39747013'
file:
- access_level: open_access
  checksum: b3d0f3568d9a87c494cf231a5324029a
  content_type: application/pdf
  creator: dernst
  date_created: 2025-01-14T06:59:25Z
  date_updated: 2025-01-14T06:59:25Z
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language:
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month: '01'
oa: 1
oa_version: Published Version
pmid: 1
publication: Nature Communications
publication_identifier:
  eissn:
  - 2041-1723
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Automatic feature selection and weighting in molecular systems using Differentiable
  Information Imbalance
tmp:
  image: /images/cc_by_nc_nd.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
    (CC BY-NC-ND 4.0)
  short: CC BY-NC-ND (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 16
year: '2025'
...
---
OA_place: publisher
OA_type: hybrid
PlanS_conform: '1'
_id: '20530'
abstract:
- lang: eng
  text: Cells must coordinate DNA segregation with cytokinesis to ensure that each
    daughter cell inherits a complete genome. Here, we explore how DNA segregation
    and division are mechanistically coupled in archaeal relatives of eukaryotes,
    which lack Cyclin-dependent kinase (CDK)/Cyclins. Using live cell imaging, we
    first describe the series of sequential changes in DNA organization that accompany
    cell division in Sulfolobus, which computational modeling shows likely aid genome
    segregation. Through a perturbation analysis we identify a regulatory checkpoint
    which ensures that the compaction of the genome into two spatially segregated
    nucleoids only occurs once cells have assembled a division ring—which also defines
    the axis of DNA segregation. Finally, we show that DNA compaction and segregation
    depend, in part, on a ParA homologue, SegA, and its partner SegB, whose absence
    leads to bridging DNA. Taken together, these data show how regulatory checkpoints
    like those operating in eukaryotes aid high-fidelity division in an archaeon.
acknowledgement: We thank Matthew Kenneth for his assistance with live cell imaging.
  We thank Arthur Charles-Orszag and Dyche Mullins for generously gifting the SegA
  and SegB antibodies, and Sonja-Verena Albers for gifting the CdvA-HA overexpression
  plasmid. We thank the Light Microscopy and Flow Cytometry facilities at the MRC-LMB,
  and all the core staff at the MRC-LMB for their support. We thank all members of
  the Baum lab for helpful discussions. We would like to thank Magdalena Lechowska,
  Gautam Dey, Laura Downie, and Iva Tolic for critical reading of the manuscript.
  J.P. was supported by the Medical Research Council—Laboratory of Molecular Biology
  (MC_UP_1201/27). A.C. was funded by an EMBO Postdoctoral fellowship (ALTF_1041-2021),
  a Marie Sklodowska-Curie Individual Fellowship (101068523) provided by UKRI and
  by the Wellcome Trust (222460/Z/21/Z). B.H. was supported by Wellcome Trust (203276/A/16/Z).
  Y.-W.K. was supported by an EMBO postdoctoral fellowship (ALTF 903-2021) and by
  the Medical Research Council—Laboratory of Molecular Biology (MC_UP_1201/27); S.F.
  was supported by the Wellcome Trust (222460/Z/21/Z); B.B. received support from
  the MRC LMB, the Wellcome Trust (203276/Z/16/Z) and (222460/Z/21/Z), the VW Foundation
  (94933), and from the Gordon and Betty Moore Foundation’s Symbiosis in Aquatic Systems
  Initiative (9346). V.S. and A.Š. acknowledge funding from the European Research
  Council under the European Union’s Horizon 2020 research and innovation programme
  (grant no.802960 to A.Š.), the Vallee Scholarship, and the EMBO Young Investigator
  Programme (A.Š.). The collaborative work of A.Š.’s and B.B. teams was also supported
  by a Moore–Simons Project on the Origin of the Eukaryotic Cell, Simons Foundation
  735929LPI.
article_processing_charge: Yes (in subscription journal)
article_type: original
author:
- first_name: Joe
  full_name: Parham, Joe
  last_name: Parham
- first_name: Valerio
  full_name: Sorichetti, Valerio
  id: ef8a92cb-c7b6-11ec-8bea-e1fd5847bc5b
  last_name: Sorichetti
  orcid: 0000-0002-9645-6576
- first_name: Alice
  full_name: Cezanne, Alice
  last_name: Cezanne
- first_name: Sherman
  full_name: Foo, Sherman
  last_name: Foo
- first_name: Yin Wei
  full_name: Kuo, Yin Wei
  last_name: Kuo
- first_name: Baukje
  full_name: Hoogenberg, Baukje
  last_name: Hoogenberg
- first_name: Arthur
  full_name: Radoux-Mergault, Arthur
  last_name: Radoux-Mergault
- first_name: Eloise
  full_name: Mawdesley, Eloise
  last_name: Mawdesley
- first_name: Lydia Daniels
  full_name: Gatward, Lydia Daniels
  last_name: Gatward
- first_name: Jerome
  full_name: Boulanger, Jerome
  last_name: Boulanger
- first_name: Ulrike
  full_name: Schulze, Ulrike
  last_name: Schulze
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
- first_name: Buzz
  full_name: Baum, Buzz
  last_name: Baum
citation:
  ama: Parham J, Sorichetti V, Cezanne A, et al. Temporal and spatial coordination
    of DNA segregation and cell division in an archaeon. <i>Proceedings of the National
    Academy of Sciences</i>. 2025;122(42):e2513939122. doi:<a href="https://doi.org/10.1073/pnas.2513939122">10.1073/pnas.2513939122</a>
  apa: Parham, J., Sorichetti, V., Cezanne, A., Foo, S., Kuo, Y. W., Hoogenberg, B.,
    … Baum, B. (2025). Temporal and spatial coordination of DNA segregation and cell
    division in an archaeon. <i>Proceedings of the National Academy of Sciences</i>.
    National Academy of Sciences. <a href="https://doi.org/10.1073/pnas.2513939122">https://doi.org/10.1073/pnas.2513939122</a>
  chicago: Parham, Joe, Valerio Sorichetti, Alice Cezanne, Sherman Foo, Yin Wei Kuo,
    Baukje Hoogenberg, Arthur Radoux-Mergault, et al. “Temporal and Spatial Coordination
    of DNA Segregation and Cell Division in an Archaeon.” <i>Proceedings of the National
    Academy of Sciences</i>. National Academy of Sciences, 2025. <a href="https://doi.org/10.1073/pnas.2513939122">https://doi.org/10.1073/pnas.2513939122</a>.
  ieee: J. Parham <i>et al.</i>, “Temporal and spatial coordination of DNA segregation
    and cell division in an archaeon,” <i>Proceedings of the National Academy of Sciences</i>,
    vol. 122, no. 42. National Academy of Sciences, p. e2513939122, 2025.
  ista: Parham J, Sorichetti V, Cezanne A, Foo S, Kuo YW, Hoogenberg B, Radoux-Mergault
    A, Mawdesley E, Gatward LD, Boulanger J, Schulze U, Šarić A, Baum B. 2025. Temporal
    and spatial coordination of DNA segregation and cell division in an archaeon.
    Proceedings of the National Academy of Sciences. 122(42), e2513939122.
  mla: Parham, Joe, et al. “Temporal and Spatial Coordination of DNA Segregation and
    Cell Division in an Archaeon.” <i>Proceedings of the National Academy of Sciences</i>,
    vol. 122, no. 42, National Academy of Sciences, 2025, p. e2513939122, doi:<a href="https://doi.org/10.1073/pnas.2513939122">10.1073/pnas.2513939122</a>.
  short: J. Parham, V. Sorichetti, A. Cezanne, S. Foo, Y.W. Kuo, B. Hoogenberg, A.
    Radoux-Mergault, E. Mawdesley, L.D. Gatward, J. Boulanger, U. Schulze, A. Šarić,
    B. Baum, Proceedings of the National Academy of Sciences 122 (2025) e2513939122.
date_created: 2025-10-26T23:01:33Z
date_published: 2025-10-21T00:00:00Z
date_updated: 2026-02-16T12:32:31Z
day: '21'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1073/pnas.2513939122
ec_funded: 1
external_id:
  isi:
  - '001620648600001'
  pmid:
  - '41091768'
file:
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  creator: dernst
  date_created: 2025-10-27T08:12:59Z
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  relation: main_file
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file_date_updated: 2025-10-27T08:12:59Z
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intvolume: '       122'
isi: 1
issue: '42'
language:
- iso: eng
month: '10'
oa: 1
oa_version: Published Version
page: e2513939122
pmid: 1
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
- _id: 349b6ff1-11ca-11ed-8bc3-f006047c2eeb
  name: EMBO Young Investigator Program - Andela Saric
publication: Proceedings of the National Academy of Sciences
publication_identifier:
  eissn:
  - 1091-6490
publication_status: published
publisher: National Academy of Sciences
quality_controlled: '1'
scopus_import: '1'
status: public
title: Temporal and spatial coordination of DNA segregation and cell division in an
  archaeon
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 122
year: '2025'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
PlanS_conform: '1'
_id: '21235'
abstract:
- lang: eng
  text: The condensation of charged polymers is an important driver for the formation
    of biomolecular condensates. Recent experiments suggest that this mechanism also
    controls the clustering of eukaryotic chromosomes during the late stages of cell
    division. In this process, interchromosome attraction is driven by the condensation
    of cytoplasmic RNA and Ki-67, a charged intrinsically disordered protein that
    coats the chromosomes as a brush. Attraction between chromosomes has been shown
    to be specifically promoted by a localized charged patch on Ki-67, although the
    physical mechanism remains unclear. To elucidate this process, we combine coarse-grained
    simulations and analytical theory to study the RNA-mediated interaction between
    charged polymer brushes on the chromosome surfaces. We show that the charged patch
    on Ki-67 leads to interchromosome attraction via RNA bridging between the two
    brushes, whereby the RNA preferentially interacts with the charged patches, leading
    to stable, long-range forces. By contrast, if the brush is uniformly charged,
    bridging is basically absent due to complete adsorption of RNA onto the brush.
    Moreover, the RNA dynamics becomes caged in presence of the charged patch while
    remaining diffusive with uniform charge. Our work sheds light on the physical
    origin of chromosome clustering, while also suggesting a general mechanism for
    cells to tune work production by biomolecular condensates via different charge
    distributions.
acknowledgement: "This work was supported by the European Union’s Horizon 2020 research
  and innovation programme (A.Š. and V.S., ERC grant Agreement No. 802960 to A.Š.,
  I.P. and P.R.,\r\nMarie Skłodowska-Curie Grant Agreement No. 101034413), the German
  Research Foundation (S.C-H. and A.H.-A., DFG Project No. 402723784 to S.C-H.), the
  Vallee Scholarship\r\n(A.Š. and V.S.), the EMBO Young Investigator Programme (A.Š.),
  and a Ph.D. fellowship from the Boehringer Ingelheim Fonds (A.H.-A.)."
article_number: '033010'
article_processing_charge: Yes
article_type: original
author:
- first_name: Valerio
  full_name: Sorichetti, Valerio
  id: ef8a92cb-c7b6-11ec-8bea-e1fd5847bc5b
  last_name: Sorichetti
  orcid: 0000-0002-9645-6576
- first_name: Paul
  full_name: Robin, Paul
  id: 48c58128-57b0-11ee-9095-dc28fd97fc1d
  last_name: Robin
  orcid: 0000-0002-5728-9189
- first_name: Ivan
  full_name: Palaia, Ivan
  id: 9c805cd2-4b75-11ec-a374-db6dd0ed57fa
  last_name: Palaia
  orcid: ' 0000-0002-8843-9485 '
- first_name: Alberto
  full_name: Hernandez-Armendariz, Alberto
  last_name: Hernandez-Armendariz
- first_name: Sara
  full_name: Cuylen-Haering, Sara
  last_name: Cuylen-Haering
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
citation:
  ama: Sorichetti V, Robin P, Palaia I, Hernandez-Armendariz A, Cuylen-Haering S,
    Šarić A. Charge distribution of the coating brush drives interchromosome attraction.
    <i>PRX Life</i>. 2025;3(3). doi:<a href="https://doi.org/10.1103/41fd-r847">10.1103/41fd-r847</a>
  apa: Sorichetti, V., Robin, P., Palaia, I., Hernandez-Armendariz, A., Cuylen-Haering,
    S., &#38; Šarić, A. (2025). Charge distribution of the coating brush drives interchromosome
    attraction. <i>PRX Life</i>. American Physical Society. <a href="https://doi.org/10.1103/41fd-r847">https://doi.org/10.1103/41fd-r847</a>
  chicago: Sorichetti, Valerio, Paul Robin, Ivan Palaia, Alberto Hernandez-Armendariz,
    Sara Cuylen-Haering, and Anđela Šarić. “Charge Distribution of the Coating Brush
    Drives Interchromosome Attraction.” <i>PRX Life</i>. American Physical Society,
    2025. <a href="https://doi.org/10.1103/41fd-r847">https://doi.org/10.1103/41fd-r847</a>.
  ieee: V. Sorichetti, P. Robin, I. Palaia, A. Hernandez-Armendariz, S. Cuylen-Haering,
    and A. Šarić, “Charge distribution of the coating brush drives interchromosome
    attraction,” <i>PRX Life</i>, vol. 3, no. 3. American Physical Society, 2025.
  ista: Sorichetti V, Robin P, Palaia I, Hernandez-Armendariz A, Cuylen-Haering S,
    Šarić A. 2025. Charge distribution of the coating brush drives interchromosome
    attraction. PRX Life. 3(3), 033010.
  mla: Sorichetti, Valerio, et al. “Charge Distribution of the Coating Brush Drives
    Interchromosome Attraction.” <i>PRX Life</i>, vol. 3, no. 3, 033010, American
    Physical Society, 2025, doi:<a href="https://doi.org/10.1103/41fd-r847">10.1103/41fd-r847</a>.
  short: V. Sorichetti, P. Robin, I. Palaia, A. Hernandez-Armendariz, S. Cuylen-Haering,
    A. Šarić, PRX Life 3 (2025).
corr_author: '1'
date_created: 2026-02-16T14:50:32Z
date_published: 2025-08-11T00:00:00Z
date_updated: 2026-02-17T11:16:26Z
day: '11'
ddc:
- '570'
department:
- _id: AnSa
- _id: EdHa
doi: 10.1103/41fd-r847
ec_funded: 1
file:
- access_level: open_access
  checksum: 1702b9bdbfd902a7c08aa4f1479b390d
  content_type: application/pdf
  creator: dernst
  date_created: 2026-02-17T11:12:30Z
  date_updated: 2026-02-17T11:12:30Z
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  file_size: 3732843
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file_date_updated: 2026-02-17T11:12:30Z
has_accepted_license: '1'
intvolume: '         3'
issue: '3'
language:
- iso: eng
month: '08'
oa: 1
oa_version: Published Version
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
- _id: fc2ed2f7-9c52-11eb-aca3-c01059dda49c
  call_identifier: H2020
  grant_number: '101034413'
  name: 'IST-BRIDGE: International postdoctoral program'
- _id: 349b6ff1-11ca-11ed-8bc3-f006047c2eeb
  name: EMBO Young Investigator Program - Andela Saric
publication: PRX Life
publication_identifier:
  eissn:
  - 2835-8279
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Charge distribution of the coating brush drives interchromosome attraction
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 3
year: '2025'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
PlanS_conform: '1'
_id: '21251'
abstract:
- lang: eng
  text: Cellular membranes differ across the tree of life. In most bacteria and eukaryotes,
    single-headed lipids self-assemble into flexible bilayer membranes. By contrast,
    thermophilic archaea tend to possess bilayer lipids together with double-headed,
    monolayer spanning bolalipids, which are thought to enable cells to survive in
    harsh environments. Here, using a minimal computational model for bolalipid membranes,
    we explore the trade-offs at play when forming membranes. We find that flexible
    bolalipids form membranes that resemble bilayer membranes because they are able
    to assume a U-shaped conformation. Conversely, rigid bolalipids, which resemble
    the bolalipids with cyclic groups found in thermophilic archaea, take on a straight
    conformation and form membranes that are stiff and prone to pore formation when
    they undergo changes in shape. Strikingly, however, the inclusion of small amounts
    of bilayer lipids in a bolalipid membrane is enough to achieve fluid bolalipid
    membranes that are both stable and flexible, resolving this trade-off. Our study
    suggests a mechanism by which archaea can tune the material properties of their
    membranes as and when required to enable them to survive in harsh environments
    and to undergo essential membrane remodelling events like cell division.
acknowledgement: MA, BB, and AŠ acknowledge funding by the Volkswagen Foundation Grant
  Az 96727. FF acknowledges financial support by the NOMIS foundation. AŠ acknowledges
  funding by ERC Starting Grant 'NEPA' 802960. We thank Claudia Flandoli for her help
  with illustrations.
article_number: '105432'
article_processing_charge: Yes
article_type: original
author:
- first_name: Miguel
  full_name: Santana de Freitas Amaral, Miguel
  id: 4f2d02dd-47a9-11ec-ad10-82820ed3f501
  last_name: Santana de Freitas Amaral
- first_name: Felix F
  full_name: Frey, Felix F
  id: a0270b37-8f1a-11ec-95c7-8e710c59a4f3
  last_name: Frey
  orcid: 0000-0001-8501-6017
- first_name: Xiuyun
  full_name: Jiang, Xiuyun
  last_name: Jiang
- first_name: Buzz
  full_name: Baum, Buzz
  last_name: Baum
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
citation:
  ama: Santana de Freitas Amaral M, Frey FF, Jiang X, Baum B, Šarić A. Balancing stability
    and flexibility when reshaping archaeal membranes. <i>eLife</i>. 2025;14. doi:<a
    href="https://doi.org/10.7554/elife.105432">10.7554/elife.105432</a>
  apa: Santana de Freitas Amaral, M., Frey, F. F., Jiang, X., Baum, B., &#38; Šarić,
    A. (2025). Balancing stability and flexibility when reshaping archaeal membranes.
    <i>ELife</i>. eLife Sciences Publications. <a href="https://doi.org/10.7554/elife.105432">https://doi.org/10.7554/elife.105432</a>
  chicago: Santana de Freitas Amaral, Miguel, Felix F Frey, Xiuyun Jiang, Buzz Baum,
    and Anđela Šarić. “Balancing Stability and Flexibility When Reshaping Archaeal
    Membranes.” <i>ELife</i>. eLife Sciences Publications, 2025. <a href="https://doi.org/10.7554/elife.105432">https://doi.org/10.7554/elife.105432</a>.
  ieee: M. Santana de Freitas Amaral, F. F. Frey, X. Jiang, B. Baum, and A. Šarić,
    “Balancing stability and flexibility when reshaping archaeal membranes,” <i>eLife</i>,
    vol. 14. eLife Sciences Publications, 2025.
  ista: Santana de Freitas Amaral M, Frey FF, Jiang X, Baum B, Šarić A. 2025. Balancing
    stability and flexibility when reshaping archaeal membranes. eLife. 14, 105432.
  mla: Santana de Freitas Amaral, Miguel, et al. “Balancing Stability and Flexibility
    When Reshaping Archaeal Membranes.” <i>ELife</i>, vol. 14, 105432, eLife Sciences
    Publications, 2025, doi:<a href="https://doi.org/10.7554/elife.105432">10.7554/elife.105432</a>.
  short: M. Santana de Freitas Amaral, F.F. Frey, X. Jiang, B. Baum, A. Šarić, ELife
    14 (2025).
corr_author: '1'
date_created: 2026-02-16T15:43:57Z
date_published: 2025-10-07T00:00:00Z
date_updated: 2026-02-23T11:49:05Z
day: '07'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.7554/elife.105432
ec_funded: 1
external_id:
  pmid:
  - '41056191 '
file:
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  creator: dernst
  date_created: 2026-02-17T13:02:02Z
  date_updated: 2026-02-17T13:02:02Z
  file_id: '21305'
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  relation: main_file
  success: 1
file_date_updated: 2026-02-17T13:02:02Z
has_accepted_license: '1'
intvolume: '        14'
language:
- iso: eng
month: '10'
oa: 1
oa_version: Published Version
pmid: 1
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
publication: eLife
publication_identifier:
  eissn:
  - 2050-084X
publication_status: published
publisher: eLife Sciences Publications
quality_controlled: '1'
related_material:
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status: public
title: Balancing stability and flexibility when reshaping archaeal membranes
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 14
year: '2025'
...
---
DOAJ_listed: '1'
OA_place: publisher
OA_type: gold
PlanS_conform: '1'
_id: '21256'
abstract:
- lang: eng
  text: Collagen IV is one of the main components of the basement membrane, a layer
    of material that lines the majority of tissues in multicellular organisms. Collagen
    IV molecules assemble into networks, providing stiffness and elasticity to tissues
    and informing cell and organ shape, especially during development. In this work,
    we develop two coarse-grained models for collagen IV molecules that retain biochemical
    bond specificity and coarse grain at different length scales. Through molecular-dynamics
    simulations, we test the assembly and mechanics of the resulting networks and
    measure their response to strain in terms of stress, microscopic alignment, and
    bond dynamics. Within the basement membrane, collagen IV networks rearrange by
    molecule turnover, which affects tissue organization and can be linked with enzyme
    activity. Here we explore network rearrangements via bond remodeling, the process
    of breaking and remaking of bonds between network molecules. We then investigate
    the effects of active (enzymatic) bond remodeling. We find that this nonequilibrium
    remodeling allows a network to keep its integrity under strain, while relaxing
    fully over a variety of timescales, a dynamic response that is unavailable to
    networks undergoing equilibrium remodeling.
acknowledgement: This work received funding from the European Research Council under
  the European Union's Horizon 2020 research and innovation program through Grant
  Agreement No. 802960 (B.M., V.S., I.P., and A.Š.), the European Union's Horizon
  2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement
  No. 101034413 (I.P.), the NOMIS Foundation (F.P.-V.), the National Centre for the
  Replacement, Refinement and Reduction of Animals in Research Grant No. NC/T002425/1
  (N.K.), Leverhulme Trust project Grant No. RPG-2020-068 (N.K.), MRC Fellowship No.
  MR/W027437/1 (Y.M.), a Lister Institute Research Prize (Y.M.) and EMBO Young Investigator
  Programme (Y.M. and A.Š.).
article_number: '033019'
article_processing_charge: Yes
article_type: original
author:
- first_name: Billie
  full_name: Meadowcroft, Billie
  id: a4725fd6-932b-11ed-81e2-c098c7f37ae1
  last_name: Meadowcroft
  orcid: 0000-0003-3441-1337
- first_name: Valerio
  full_name: Sorichetti, Valerio
  id: ef8a92cb-c7b6-11ec-8bea-e1fd5847bc5b
  last_name: Sorichetti
  orcid: 0000-0002-9645-6576
- first_name: Eryk
  full_name: Ratajczyk, Eryk
  last_name: Ratajczyk
- first_name: Fernanda L
  full_name: Perez Verdugo, Fernanda L
  id: 4ecec223-9070-11ef-a0a9-bc76077bea8d
  last_name: Perez Verdugo
- first_name: Nargess
  full_name: Khalilgharibi, Nargess
  last_name: Khalilgharibi
- first_name: Yanlan
  full_name: Mao, Yanlan
  last_name: Mao
- first_name: Ivan
  full_name: Palaia, Ivan
  id: 9c805cd2-4b75-11ec-a374-db6dd0ed57fa
  last_name: Palaia
  orcid: ' 0000-0002-8843-9485 '
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
citation:
  ama: Meadowcroft B, Sorichetti V, Ratajczyk E, et al. Nonequilibrium remodeling
    of collagen IV networks in Silico. <i>PRX Life</i>. 2025;3. doi:<a href="https://doi.org/10.1103/gdd5-rnh7">10.1103/gdd5-rnh7</a>
  apa: Meadowcroft, B., Sorichetti, V., Ratajczyk, E., Perez Verdugo, F. L., Khalilgharibi,
    N., Mao, Y., … Šarić, A. (2025). Nonequilibrium remodeling of collagen IV networks
    in Silico. <i>PRX Life</i>. American Physical Society. <a href="https://doi.org/10.1103/gdd5-rnh7">https://doi.org/10.1103/gdd5-rnh7</a>
  chicago: Meadowcroft, Billie, Valerio Sorichetti, Eryk Ratajczyk, Fernanda L Perez
    Verdugo, Nargess Khalilgharibi, Yanlan Mao, Ivan Palaia, and Anđela Šarić. “Nonequilibrium
    Remodeling of Collagen IV Networks in Silico.” <i>PRX Life</i>. American Physical
    Society, 2025. <a href="https://doi.org/10.1103/gdd5-rnh7">https://doi.org/10.1103/gdd5-rnh7</a>.
  ieee: B. Meadowcroft <i>et al.</i>, “Nonequilibrium remodeling of collagen IV networks
    in Silico,” <i>PRX Life</i>, vol. 3. American Physical Society, 2025.
  ista: Meadowcroft B, Sorichetti V, Ratajczyk E, Perez Verdugo FL, Khalilgharibi
    N, Mao Y, Palaia I, Šarić A. 2025. Nonequilibrium remodeling of collagen IV networks
    in Silico. PRX Life. 3, 033019.
  mla: Meadowcroft, Billie, et al. “Nonequilibrium Remodeling of Collagen IV Networks
    in Silico.” <i>PRX Life</i>, vol. 3, 033019, American Physical Society, 2025,
    doi:<a href="https://doi.org/10.1103/gdd5-rnh7">10.1103/gdd5-rnh7</a>.
  short: B. Meadowcroft, V. Sorichetti, E. Ratajczyk, F.L. Perez Verdugo, N. Khalilgharibi,
    Y. Mao, I. Palaia, A. Šarić, PRX Life 3 (2025).
corr_author: '1'
date_created: 2026-02-16T15:55:03Z
date_published: 2025-09-05T00:00:00Z
date_updated: 2026-02-17T13:37:38Z
day: '05'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1103/gdd5-rnh7
ec_funded: 1
file:
- access_level: open_access
  checksum: 04cae5231d97e533145c493880fadbd9
  content_type: application/pdf
  creator: dernst
  date_created: 2026-02-17T13:36:01Z
  date_updated: 2026-02-17T13:36:01Z
  file_id: '21308'
  file_name: 2025_PRXLife_Meadowcroft.pdf
  file_size: 2277704
  relation: main_file
  success: 1
file_date_updated: 2026-02-17T13:36:01Z
has_accepted_license: '1'
intvolume: '         3'
language:
- iso: eng
month: '09'
oa: 1
oa_version: Published Version
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
- _id: fc2ed2f7-9c52-11eb-aca3-c01059dda49c
  call_identifier: H2020
  grant_number: '101034413'
  name: 'IST-BRIDGE: International postdoctoral program'
- _id: 349b6ff1-11ca-11ed-8bc3-f006047c2eeb
  name: EMBO Young Investigator Program - Andela Saric
publication: PRX Life
publication_identifier:
  eissn:
  - 2835-8279
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Nonequilibrium remodeling of collagen IV networks in Silico
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 3
year: '2025'
...
---
OA_place: repository
_id: '21427'
abstract:
- lang: eng
  text: While tumor malignancy has been extensively studied under the prism of genetic
    and epigenetic heterogeneity, tumor cell states also critically depend on reciprocal
    interactions with the microenvironment. This raises the hitherto untested possibility
    that heterogeneity of the untransformed tumor stroma can actively fuel malignant
    progression. As biological heterogeneity is inherently difficult to control, we
    adopted a reductionist approach and let tumor cells invade micro-engineered environments
    harboring obstacles with precision-controlled geometry. We find that not only
    the presence of obstacles, but more surprisingly their spatial disorder, causes
    a drastic shift from a collective to a single-cell mode of invasion – comparable
    in strength to cadherin loss. Combining live-imaging and perturbation experiments
    with minimal biophysical modeling, we demonstrate that cell detachments result
    both from local geometrical constraints and a global integration of spatial disorder
    over time. We show that different types of microenvironments map onto different
    universality classes of invasion dynamics - homogeneous substrates follow Kardar–Parisi–Zhang
    (KPZ) scaling, while disordered ones exhibit exponents consistent with KPZ with
    quenched disorder (KPZq). Our findings highlight generic physical principles for
    how the mode of cancer cell invasion depends on environmental heterogeneity, with
    potential implications to understand tumor evolution in vivo.
acknowledgement: "European Research Council, https://ror.org/0472cxd90, 101071793\r\nAustrian
  Academy of Sciences, 26360"
article_processing_charge: No
author:
- first_name: Zuzana
  full_name: Dunajova, Zuzana
  id: 4B39F286-F248-11E8-B48F-1D18A9856A87
  last_name: Dunajova
- first_name: Saren
  full_name: Tasciyan, Saren
  id: 4323B49C-F248-11E8-B48F-1D18A9856A87
  last_name: Tasciyan
  orcid: 0000-0003-1671-393X
- first_name: Juraj
  full_name: Majek, Juraj
  id: 3e6d9473-f38e-11ec-8ae0-c4e05a8aa9e1
  last_name: Majek
- first_name: Jack
  full_name: Merrin, Jack
  id: 4515C308-F248-11E8-B48F-1D18A9856A87
  last_name: Merrin
  orcid: 0000-0001-5145-4609
- first_name: Erik
  full_name: Sahai, Erik
  last_name: Sahai
- first_name: Michael K
  full_name: Sixt, Michael K
  id: 41E9FBEA-F248-11E8-B48F-1D18A9856A87
  last_name: Sixt
  orcid: 0000-0002-6620-9179
- first_name: Edouard B
  full_name: Hannezo, Edouard B
  id: 3A9DB764-F248-11E8-B48F-1D18A9856A87
  last_name: Hannezo
  orcid: 0000-0001-6005-1561
citation:
  ama: Dunajova Z, Tasciyan S, Majek J, et al. Substrate heterogeneity promotes cancer
    cell dissemination through interface roughening. doi:<a href="https://doi.org/10.1101/2025.05.20.655037">10.1101/2025.05.20.655037</a>
  apa: Dunajova, Z., Tasciyan, S., Majek, J., Merrin, J., Sahai, E., Sixt, M. K.,
    &#38; Hannezo, E. B. (n.d.). Substrate heterogeneity promotes cancer cell dissemination
    through interface roughening. bioRxiv. <a href="https://doi.org/10.1101/2025.05.20.655037">https://doi.org/10.1101/2025.05.20.655037</a>
  chicago: Dunajova, Zuzana, Saren Tasciyan, Juraj Majek, Jack Merrin, Erik Sahai,
    Michael K Sixt, and Edouard B Hannezo. “Substrate Heterogeneity Promotes Cancer
    Cell Dissemination through Interface Roughening.” bioRxiv, n.d. <a href="https://doi.org/10.1101/2025.05.20.655037">https://doi.org/10.1101/2025.05.20.655037</a>.
  ieee: Z. Dunajova <i>et al.</i>, “Substrate heterogeneity promotes cancer cell dissemination
    through interface roughening.” bioRxiv.
  ista: Dunajova Z, Tasciyan S, Majek J, Merrin J, Sahai E, Sixt MK, Hannezo EB. Substrate
    heterogeneity promotes cancer cell dissemination through interface roughening.
    <a href="https://doi.org/10.1101/2025.05.20.655037">10.1101/2025.05.20.655037</a>.
  mla: Dunajova, Zuzana, et al. <i>Substrate Heterogeneity Promotes Cancer Cell Dissemination
    through Interface Roughening</i>. bioRxiv, doi:<a href="https://doi.org/10.1101/2025.05.20.655037">10.1101/2025.05.20.655037</a>.
  short: Z. Dunajova, S. Tasciyan, J. Majek, J. Merrin, E. Sahai, M.K. Sixt, E.B.
    Hannezo, (n.d.).
corr_author: '1'
date_created: 2026-03-11T08:40:06Z
date_published: 2025-09-25T00:00:00Z
date_updated: 2026-06-10T09:41:11Z
day: '25'
ddc:
- '539'
- '570'
department:
- _id: GradSch
- _id: EdHa
- _id: MiSi
- _id: NanoFab
- _id: AnSa
doi: 10.1101/2025.05.20.655037
has_accepted_license: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1101/2025.05.20.655037
month: '09'
oa: 1
oa_version: Preprint
project:
- _id: bd91e723-d553-11ed-ba76-fe7eeb2185fd
  grant_number: '101071793'
  name: 'Pushing from within: Control of cell shape, integrity and motility by cytoskeletal
    pushing forces'
- _id: 34d75525-11ca-11ed-8bc3-89b6307fee9d
  grant_number: '26360'
  name: Motile active matter models of migrating cells and chiral filaments
publication_status: draft
publisher: bioRxiv
related_material:
  record:
  - id: '21423'
    relation: dissertation_contains
    status: public
  - id: '21439'
    relation: research_data
    status: public
status: public
title: Substrate heterogeneity promotes cancer cell dissemination through interface
  roughening
tmp:
  image: /images/cc_by_nc_nd.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
    (CC BY-NC-ND 4.0)
  short: CC BY-NC-ND (4.0)
type: preprint
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2025'
...
---
_id: '18072'
abstract:
- lang: eng
  text: The individualization of chromosomes during early mitosis and their clustering
    upon exit from cell division are two key transitions that ensure efficient segregation
    of eukaryotic chromosomes. Both processes are regulated by the surfactant-like
    protein Ki-67, but how Ki-67 achieves these diametric functions has remained unknown.
    Here, we report that Ki-67 radically switches from a chromosome repellent to a
    chromosome attractant during anaphase in human cells. We show that Ki-67 dephosphorylation
    during mitotic exit and the simultaneous exposure of a conserved basic patch induce
    the RNA-dependent formation of a liquid-like condensed phase on the chromosome
    surface. Experiments and coarse-grained simulations support a model in which the
    coalescence of chromosome surfaces, driven by co-condensation of Ki-67 and RNA,
    promotes clustering of chromosomes. Our study reveals how the switch of Ki-67
    from a surfactant to a liquid-like condensed phase can generate mechanical forces
    during genome segregation that are required for re-establishing nuclear-cytoplasmic
    compartmentalization after mitosis.
acknowledgement: We thank Daniel W. Gerlich for providing cell lines, the EMBL Advanced
  Light Microscopy Facility (ALMF) for support, Christian H. Haering and Thomas Quail
  for input on the manuscript, and Martina Dees for cloning several Ki-67 constructs.
  This work was supported by the German Research Foundation (DFG project number 402723784)
  and the Human Frontier Science Program (CDA00045/2019). A.H.-A. and A.B. have received
  PhD fellowships from the Boehringer Ingelheim Fonds, V.S. and A.Š. were supported
  by the European Research Council (ERC) under the European Union’s Horizon 2020 research
  and innovation programme (grant no. 802960), and Y.H. was supported by a fellowship
  from the EMBL interdisciplinary Postdoc (EIPOD) program (Marie Sklodowska-Curie
  Actions, COFUND grant agreement 664726).
article_processing_charge: Yes (in subscription journal)
article_type: original
author:
- first_name: Alberto
  full_name: Hernandez-Armendariz, Alberto
  last_name: Hernandez-Armendariz
- first_name: Valerio
  full_name: Sorichetti, Valerio
  id: ef8a92cb-c7b6-11ec-8bea-e1fd5847bc5b
  last_name: Sorichetti
  orcid: 0000-0002-9645-6576
- first_name: Yuki
  full_name: Hayashi, Yuki
  last_name: Hayashi
- first_name: Zuzana
  full_name: Koskova, Zuzana
  last_name: Koskova
- first_name: Andreas
  full_name: Brunner, Andreas
  last_name: Brunner
- first_name: Jan
  full_name: Ellenberg, Jan
  last_name: Ellenberg
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
- first_name: Sara
  full_name: Cuylen-Haering, Sara
  last_name: Cuylen-Haering
citation:
  ama: Hernandez-Armendariz A, Sorichetti V, Hayashi Y, et al. A liquid-like coat
    mediates chromosome clustering during mitotic exit. <i>Molecular Cell</i>. 2024;84(17):P3254-3270.E9.
    doi:<a href="https://doi.org/10.1016/j.molcel.2024.07.022">10.1016/j.molcel.2024.07.022</a>
  apa: Hernandez-Armendariz, A., Sorichetti, V., Hayashi, Y., Koskova, Z., Brunner,
    A., Ellenberg, J., … Cuylen-Haering, S. (2024). A liquid-like coat mediates chromosome
    clustering during mitotic exit. <i>Molecular Cell</i>. Cell Press. <a href="https://doi.org/10.1016/j.molcel.2024.07.022">https://doi.org/10.1016/j.molcel.2024.07.022</a>
  chicago: Hernandez-Armendariz, Alberto, Valerio Sorichetti, Yuki Hayashi, Zuzana
    Koskova, Andreas Brunner, Jan Ellenberg, Anđela Šarić, and Sara Cuylen-Haering.
    “A Liquid-like Coat Mediates Chromosome Clustering during Mitotic Exit.” <i>Molecular
    Cell</i>. Cell Press, 2024. <a href="https://doi.org/10.1016/j.molcel.2024.07.022">https://doi.org/10.1016/j.molcel.2024.07.022</a>.
  ieee: A. Hernandez-Armendariz <i>et al.</i>, “A liquid-like coat mediates chromosome
    clustering during mitotic exit,” <i>Molecular Cell</i>, vol. 84, no. 17. Cell
    Press, p. P3254–3270.E9, 2024.
  ista: Hernandez-Armendariz A, Sorichetti V, Hayashi Y, Koskova Z, Brunner A, Ellenberg
    J, Šarić A, Cuylen-Haering S. 2024. A liquid-like coat mediates chromosome clustering
    during mitotic exit. Molecular Cell. 84(17), P3254–3270.E9.
  mla: Hernandez-Armendariz, Alberto, et al. “A Liquid-like Coat Mediates Chromosome
    Clustering during Mitotic Exit.” <i>Molecular Cell</i>, vol. 84, no. 17, Cell
    Press, 2024, p. P3254–3270.E9, doi:<a href="https://doi.org/10.1016/j.molcel.2024.07.022">10.1016/j.molcel.2024.07.022</a>.
  short: A. Hernandez-Armendariz, V. Sorichetti, Y. Hayashi, Z. Koskova, A. Brunner,
    J. Ellenberg, A. Šarić, S. Cuylen-Haering, Molecular Cell 84 (2024) P3254–3270.E9.
date_created: 2024-09-15T22:01:41Z
date_published: 2024-09-05T00:00:00Z
date_updated: 2025-09-08T09:23:02Z
day: '05'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1016/j.molcel.2024.07.022
ec_funded: 1
external_id:
  isi:
  - '001309051100001'
  pmid:
  - '39153474'
file:
- access_level: open_access
  checksum: 3f360e0287b8ec79fb2b8b02b5070360
  content_type: application/pdf
  creator: dernst
  date_created: 2024-09-16T07:38:38Z
  date_updated: 2024-09-16T07:38:38Z
  file_id: '18075'
  file_name: 2024_MolecularCell_HernandezArmendariz.pdf
  file_size: 11654644
  relation: main_file
  success: 1
file_date_updated: 2024-09-16T07:38:38Z
has_accepted_license: '1'
intvolume: '        84'
isi: 1
issue: '17'
language:
- iso: eng
month: '09'
oa: 1
oa_version: Published Version
page: P3254-3270.E9
pmid: 1
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
publication: Molecular Cell
publication_identifier:
  eissn:
  - 1097-4164
  issn:
  - 1097-2765
publication_status: published
publisher: Cell Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: A liquid-like coat mediates chromosome clustering during mitotic exit
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: 84
year: '2024'
...
---
OA_place: publisher
OA_type: hybrid
_id: '18526'
abstract:
- lang: eng
  text: Multivesicular endosomes (MVEs) sequester membrane proteins destined for degradation
    within intralumenal vesicles (ILVs), a process mediated by the membrane-remodeling
    action of Endosomal Sorting Complex Required for Transport (ESCRT) proteins. In
    Arabidopsis, endosomal membrane constriction and scission are uncoupled, resulting
    in the formation of extensive concatenated ILV networks and enhancing cargo sequestration
    efficiency. Here, we used a combination of electron tomography, computer simulations,
    and mathematical modeling to address the questions of when concatenated ILV networks
    evolved in plants and what drives their formation. Through morphometric analyses
    of tomographic reconstructions of endosomes across yeast, algae, and various land
    plants, we have found that ILV concatenation is widespread within plant species,
    but only prevalent in seed plants, especially in flowering plants. Multiple budding
    sites that require the formation of pores in the limiting membrane were only identified
    in hornworts and seed plants, suggesting that this mechanism has evolved independently
    in both plant lineages. To identify the conditions under which these multiple
    budding sites can arise, we used particle-based molecular dynamics simulations
    and found that changes in ESCRT filament properties, such as filament curvature
    and membrane binding energy, can generate the membrane shapes observed in multiple
    budding sites. To understand the relationship between membrane budding activity
    and ILV network topology, we performed computational simulations and identified
    a set of membrane remodeling parameters that can recapitulate our tomographic
    datasets.
acknowledgement: We would like to thank Janice Pennington for her support with electron
  tomography data collection, Dr. Ingrid Jordon-Thaden, director of the Botany Garden
  and Greenhouse of University of Wisconsin Madison, for her invaluable assistance
  collecting plant materials, Dr. Marie Trest for providing Chara specimens, and Dr.
  Nicholas Keuler for his advice on statistical analyses. We thank Charlie Hamilton
  for exploring the initial computational model. This work was supported by grant
  NSF MCB 2114603 and NIH 1S10OD026769-01 to M.S.O. F.F acknowledges support as a
  NOMIS Fellow from the NOMIS Foundation. A.Š. acknowledges ERC Starting Grant “NEPA”
  802960.
article_number: e2409407121
article_processing_charge: Yes (in subscription journal)
article_type: original
author:
- first_name: Ethan
  full_name: Weiner, Ethan
  last_name: Weiner
- first_name: Elizabeth
  full_name: Berryman, Elizabeth
  last_name: Berryman
- first_name: Felix F
  full_name: Frey, Felix F
  id: a0270b37-8f1a-11ec-95c7-8e710c59a4f3
  last_name: Frey
  orcid: 0000-0001-8501-6017
- first_name: Ariadna González
  full_name: Solís, Ariadna González
  last_name: Solís
- first_name: André
  full_name: Leier, André
  last_name: Leier
- first_name: Tatiana Marquez
  full_name: Lago, Tatiana Marquez
  last_name: Lago
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
- first_name: Marisa S.
  full_name: Otegui, Marisa S.
  last_name: Otegui
citation:
  ama: Weiner E, Berryman E, Frey FF, et al. Endosomal membrane budding patterns in
    plants. <i>Proceedings of the National Academy of Sciences of the United States
    of America</i>. 2024;121(44). doi:<a href="https://doi.org/10.1073/pnas.2409407121">10.1073/pnas.2409407121</a>
  apa: Weiner, E., Berryman, E., Frey, F. F., Solís, A. G., Leier, A., Lago, T. M.,
    … Otegui, M. S. (2024). Endosomal membrane budding patterns in plants. <i>Proceedings
    of the National Academy of Sciences of the United States of America</i>. National
    Academy of Sciences. <a href="https://doi.org/10.1073/pnas.2409407121">https://doi.org/10.1073/pnas.2409407121</a>
  chicago: Weiner, Ethan, Elizabeth Berryman, Felix F Frey, Ariadna González Solís,
    André Leier, Tatiana Marquez Lago, Anđela Šarić, and Marisa S. Otegui. “Endosomal
    Membrane Budding Patterns in Plants.” <i>Proceedings of the National Academy of
    Sciences of the United States of America</i>. National Academy of Sciences, 2024.
    <a href="https://doi.org/10.1073/pnas.2409407121">https://doi.org/10.1073/pnas.2409407121</a>.
  ieee: E. Weiner <i>et al.</i>, “Endosomal membrane budding patterns in plants,”
    <i>Proceedings of the National Academy of Sciences of the United States of America</i>,
    vol. 121, no. 44. National Academy of Sciences, 2024.
  ista: Weiner E, Berryman E, Frey FF, Solís AG, Leier A, Lago TM, Šarić A, Otegui
    MS. 2024. Endosomal membrane budding patterns in plants. Proceedings of the National
    Academy of Sciences of the United States of America. 121(44), e2409407121.
  mla: Weiner, Ethan, et al. “Endosomal Membrane Budding Patterns in Plants.” <i>Proceedings
    of the National Academy of Sciences of the United States of America</i>, vol.
    121, no. 44, e2409407121, National Academy of Sciences, 2024, doi:<a href="https://doi.org/10.1073/pnas.2409407121">10.1073/pnas.2409407121</a>.
  short: E. Weiner, E. Berryman, F.F. Frey, A.G. Solís, A. Leier, T.M. Lago, A. Šarić,
    M.S. Otegui, Proceedings of the National Academy of Sciences of the United States
    of America 121 (2024).
date_created: 2024-11-10T23:01:59Z
date_published: 2024-10-29T00:00:00Z
date_updated: 2025-09-08T14:38:35Z
day: '29'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1073/pnas.2409407121
ec_funded: 1
external_id:
  isi:
  - '001349500800007'
  pmid:
  - '39441629'
file:
- access_level: open_access
  checksum: 21c82d2ab58ff99b2bd0489797be42e5
  content_type: application/pdf
  creator: dernst
  date_created: 2024-11-11T09:35:15Z
  date_updated: 2024-11-11T09:35:15Z
  file_id: '18538'
  file_name: 2024_PNAS_Weiner.pdf
  file_size: 5268074
  relation: main_file
  success: 1
file_date_updated: 2024-11-11T09:35:15Z
has_accepted_license: '1'
intvolume: '       121'
isi: 1
issue: '44'
language:
- iso: eng
month: '10'
oa: 1
oa_version: Published Version
pmid: 1
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
publication: Proceedings of the National Academy of Sciences of the United States
  of America
publication_identifier:
  eissn:
  - 1091-6490
  issn:
  - 0027-8424
publication_status: published
publisher: National Academy of Sciences
quality_controlled: '1'
scopus_import: '1'
status: public
title: Endosomal membrane budding patterns in plants
tmp:
  image: /images/cc_by_nc_nd.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
    (CC BY-NC-ND 4.0)
  short: CC BY-NC-ND (4.0)
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 121
year: '2024'
...
---
OA_place: repository
OA_type: green
_id: '18704'
abstract:
- lang: eng
  text: Clathrin-mediated endocytosis is the main pathway used by eukaryotic cells
    to take up extracellular material, but the dominant physical mechanisms driving
    this process are still elusive. Recently, several high-resolution imaging techniques
    have been used on different cell lines to measure the geometrical properties of
    clathrin-coated pits over their whole lifetime. Here, we first show that the combination
    of all datasets with the recently introduced cooperative curvature model defines
    a consensus pathway, which is characterized by a flat-to-curved transition at
    finite area, followed by linear growth and subsequent saturation of curvature.
    We then apply an energetic model for the composite of the plasma membrane and
    clathrin coat to this consensus pathway to show that the dominant mechanism for
    invagination could be coat stiffening, which might originate from cooperative
    interactions between the different clathrin molecules and progressively drives
    the system toward its intrinsic curvature. Our theory predicts that two length
    scales determine the invagination pathway, namely the patch size at which the
    flat-to-curved transition occurs and the final pit radius.
acknowledgement: We thank Markus Mund, Aline Tschanz, and Jonas Ries for helpful discussions
  and a critical reading of the manuscript. We also kindly acknowledge Simon Scheuring
  for providing the HS-AFM data for the analysis of clathrin coat invagination. We
  thank the reviewers of previous versions of this manuscript for useful feedback
  that helped us to improve this work. F.F. acknowledges financial support by the
  NOMIS foundation. U.S.S. was supported by the Deutsche Forschungsgemeinschaft (DFG,
  German Research Foundation) under Project No. 240245660 (SFB 1129). Moreover, he
  is a member of the Interdisciplinary Center for Scientific Computing (IWR) at Heidelberg
  and of the Max Planck School Matter to Life supported by the German Federal Ministry
  of Education and Research (BMBF) in collaboration with the Max Planck Society.
article_number: '064403'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Felix F
  full_name: Frey, Felix F
  id: a0270b37-8f1a-11ec-95c7-8e710c59a4f3
  last_name: Frey
  orcid: 0000-0001-8501-6017
- first_name: Ulrich S.
  full_name: Schwarz, Ulrich S.
  last_name: Schwarz
citation:
  ama: Frey FF, Schwarz US. Coat stiffening can explain invagination of clathrin-coated
    membranes. <i>Physical Review E</i>. 2024;110(6). doi:<a href="https://doi.org/10.1103/PhysRevE.110.064403">10.1103/PhysRevE.110.064403</a>
  apa: Frey, F. F., &#38; Schwarz, U. S. (2024). Coat stiffening can explain invagination
    of clathrin-coated membranes. <i>Physical Review E</i>. American Physical Society.
    <a href="https://doi.org/10.1103/PhysRevE.110.064403">https://doi.org/10.1103/PhysRevE.110.064403</a>
  chicago: Frey, Felix F, and Ulrich S. Schwarz. “Coat Stiffening Can Explain Invagination
    of Clathrin-Coated Membranes.” <i>Physical Review E</i>. American Physical Society,
    2024. <a href="https://doi.org/10.1103/PhysRevE.110.064403">https://doi.org/10.1103/PhysRevE.110.064403</a>.
  ieee: F. F. Frey and U. S. Schwarz, “Coat stiffening can explain invagination of
    clathrin-coated membranes,” <i>Physical Review E</i>, vol. 110, no. 6. American
    Physical Society, 2024.
  ista: Frey FF, Schwarz US. 2024. Coat stiffening can explain invagination of clathrin-coated
    membranes. Physical Review E. 110(6), 064403.
  mla: Frey, Felix F., and Ulrich S. Schwarz. “Coat Stiffening Can Explain Invagination
    of Clathrin-Coated Membranes.” <i>Physical Review E</i>, vol. 110, no. 6, 064403,
    American Physical Society, 2024, doi:<a href="https://doi.org/10.1103/PhysRevE.110.064403">10.1103/PhysRevE.110.064403</a>.
  short: F.F. Frey, U.S. Schwarz, Physical Review E 110 (2024).
date_created: 2024-12-22T23:01:48Z
date_published: 2024-12-10T00:00:00Z
date_updated: 2025-09-09T11:56:34Z
day: '10'
department:
- _id: AnSa
doi: 10.1103/PhysRevE.110.064403
external_id:
  arxiv:
  - '2405.02820'
  isi:
  - '001379135100004'
  pmid:
  - '39916158'
intvolume: '       110'
isi: 1
issue: '6'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2405.02820
month: '12'
oa: 1
oa_version: Preprint
pmid: 1
publication: Physical Review E
publication_identifier:
  eissn:
  - 2470-0053
  issn:
  - 2470-0045
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Coat stiffening can explain invagination of clathrin-coated membranes
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 110
year: '2024'
...
---
_id: '14844'
abstract:
- lang: eng
  text: 'Many cell functions require a concerted effort from multiple membrane proteins,
    for example, for signaling, cell division, and endocytosis. One contribution to
    their successful self-organization stems from the membrane deformations that these
    proteins induce. While the pairwise interaction potential of two membrane-deforming
    spheres has recently been measured, membrane-deformation-induced interactions
    have been predicted to be nonadditive, and hence their collective behavior cannot
    be deduced from this measurement. We here employ a colloidal model system consisting
    of adhesive spheres and giant unilamellar vesicles to test these predictions by
    measuring the interaction potential of the simplest case of three membrane-deforming,
    spherical particles. We quantify their interactions and arrangements and, for
    the first time, experimentally confirm and quantify the nonadditive nature of
    membrane-deformation-induced interactions. We furthermore conclude that there
    exist two favorable configurations on the membrane: (1) a linear and (2) a triangular
    arrangement of the three spheres. Using Monte Carlo simulations, we corroborate
    the experimentally observed energy minima and identify a lowering of the membrane
    deformation as the cause for the observed configurations. The high symmetry of
    the preferred arrangements for three particles suggests that arrangements of many
    membrane-deforming objects might follow simple rules.'
acknowledgement: We gratefully acknowledge useful discussions with Casper van der
  Wel, help by Yogesh Shelke with PAA coverslip preparation, and support by Rachel
  Doherty with particle functionalization. A.A. and D.J.K. would like to thank Timon
  Idema and George Dadunashvili for initial attempts to simulate the experimental
  system. D.J.K. would like to thank the physics department at Leiden University for
  funding the PhD position of A.A. B.M. and A.Š. acknowledge funding by the European
  Union’s Horizon 2020 research and innovation programme (ERC starting grant no. 802960).
article_processing_charge: Yes (in subscription journal)
article_type: original
author:
- first_name: Ali
  full_name: Azadbakht, Ali
  last_name: Azadbakht
- first_name: Billie
  full_name: Meadowcroft, Billie
  id: a4725fd6-932b-11ed-81e2-c098c7f37ae1
  last_name: Meadowcroft
  orcid: 0000-0003-3441-1337
- first_name: Juraj
  full_name: Majek, Juraj
  id: 3e6d9473-f38e-11ec-8ae0-c4e05a8aa9e1
  last_name: Majek
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
- first_name: Daniela J.
  full_name: Kraft, Daniela J.
  last_name: Kraft
citation:
  ama: Azadbakht A, Meadowcroft B, Majek J, Šarić A, Kraft DJ. Nonadditivity in interactions
    between three membrane-wrapped colloidal spheres. <i>Biophysical Journal</i>.
    2024;123(3):307-316. doi:<a href="https://doi.org/10.1016/j.bpj.2023.12.020">10.1016/j.bpj.2023.12.020</a>
  apa: Azadbakht, A., Meadowcroft, B., Majek, J., Šarić, A., &#38; Kraft, D. J. (2024).
    Nonadditivity in interactions between three membrane-wrapped colloidal spheres.
    <i>Biophysical Journal</i>. Elsevier. <a href="https://doi.org/10.1016/j.bpj.2023.12.020">https://doi.org/10.1016/j.bpj.2023.12.020</a>
  chicago: Azadbakht, Ali, Billie Meadowcroft, Juraj Majek, Anđela Šarić, and Daniela
    J. Kraft. “Nonadditivity in Interactions between Three Membrane-Wrapped Colloidal
    Spheres.” <i>Biophysical Journal</i>. Elsevier, 2024. <a href="https://doi.org/10.1016/j.bpj.2023.12.020">https://doi.org/10.1016/j.bpj.2023.12.020</a>.
  ieee: A. Azadbakht, B. Meadowcroft, J. Majek, A. Šarić, and D. J. Kraft, “Nonadditivity
    in interactions between three membrane-wrapped colloidal spheres,” <i>Biophysical
    Journal</i>, vol. 123, no. 3. Elsevier, pp. 307–316, 2024.
  ista: Azadbakht A, Meadowcroft B, Majek J, Šarić A, Kraft DJ. 2024. Nonadditivity
    in interactions between three membrane-wrapped colloidal spheres. Biophysical
    Journal. 123(3), 307–316.
  mla: Azadbakht, Ali, et al. “Nonadditivity in Interactions between Three Membrane-Wrapped
    Colloidal Spheres.” <i>Biophysical Journal</i>, vol. 123, no. 3, Elsevier, 2024,
    pp. 307–16, doi:<a href="https://doi.org/10.1016/j.bpj.2023.12.020">10.1016/j.bpj.2023.12.020</a>.
  short: A. Azadbakht, B. Meadowcroft, J. Majek, A. Šarić, D.J. Kraft, Biophysical
    Journal 123 (2024) 307–316.
date_created: 2024-01-21T23:00:56Z
date_published: 2024-02-06T00:00:00Z
date_updated: 2025-09-04T11:46:15Z
day: '06'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1016/j.bpj.2023.12.020
ec_funded: 1
external_id:
  isi:
  - '001185235900001'
  pmid:
  - '38158654'
file:
- access_level: open_access
  checksum: 1c8fe1cf950394875b65b90da86428ff
  content_type: application/pdf
  creator: dernst
  date_created: 2024-07-16T12:09:55Z
  date_updated: 2024-07-16T12:09:55Z
  file_id: '17266'
  file_name: 2024_BiophysicalJournal_Azadbakht.pdf
  file_size: 3189926
  relation: main_file
  success: 1
file_date_updated: 2024-07-16T12:09:55Z
has_accepted_license: '1'
intvolume: '       123'
isi: 1
issue: '3'
language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
page: 307-316
pmid: 1
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
publication: Biophysical Journal
publication_identifier:
  eissn:
  - 1542-0086
  issn:
  - 0006-3495
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Nonadditivity in interactions between three membrane-wrapped colloidal spheres
tmp:
  image: /images/cc_by_nc_nd.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
    (CC BY-NC-ND 4.0)
  short: CC BY-NC-ND (4.0)
type: journal_article
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 123
year: '2024'
...
