---
_id: '12706'
abstract:
- lang: eng
  text: Allometric settings of population dynamics models are appealing due to their
    parsimonious nature and broad utility when studying system level effects. Here,
    we parameterise the size-scaled Rosenzweig-MacArthur differential equations to
    eliminate prey-mass dependency, facilitating an in depth analytic study of the
    equations which incorporates scaling parameters’ contributions to coexistence.
    We define the functional response term to match empirical findings, and examine
    situations where metabolic theory derivations and observation diverge. The dynamical
    properties of the Rosenzweig-MacArthur system, encompassing the distribution of
    size-abundance equilibria, the scaling of period and amplitude of population cycling,
    and relationships between predator and prey abundances, are consistent with empirical
    observation. Our parameterisation is an accurate minimal model across 15+ orders
    of mass magnitude.
acknowledgement: "This research was supported by an Australian Government Research
  Training Program\r\n(RTP) Scholarship to JCM (https://www.dese.gov.au), and LB is
  supported by the Centre de\r\nrecherche sur le vieillissement Fellowship Program.
  The funders had no role in study design, data collection and analysis, decision
  to publish, or preparation of the manuscript."
article_processing_charge: No
article_type: original
author:
- first_name: Jody C.
  full_name: Mckerral, Jody C.
  last_name: Mckerral
- first_name: Maria
  full_name: Kleshnina, Maria
  id: 4E21749C-F248-11E8-B48F-1D18A9856A87
  last_name: Kleshnina
- first_name: Vladimir
  full_name: Ejov, Vladimir
  last_name: Ejov
- first_name: Louise
  full_name: Bartle, Louise
  last_name: Bartle
- first_name: James G.
  full_name: Mitchell, James G.
  last_name: Mitchell
- first_name: Jerzy A.
  full_name: Filar, Jerzy A.
  last_name: Filar
citation:
  ama: Mckerral JC, Kleshnina M, Ejov V, Bartle L, Mitchell JG, Filar JA. Empirical
    parameterisation and dynamical analysis of the allometric Rosenzweig-MacArthur
    equations. <i>PLoS One</i>. 2023;18(2):e0279838. doi:<a href="https://doi.org/10.1371/journal.pone.0279838">10.1371/journal.pone.0279838</a>
  apa: Mckerral, J. C., Kleshnina, M., Ejov, V., Bartle, L., Mitchell, J. G., &#38;
    Filar, J. A. (2023). Empirical parameterisation and dynamical analysis of the
    allometric Rosenzweig-MacArthur equations. <i>PLoS One</i>. Public Library of
    Science. <a href="https://doi.org/10.1371/journal.pone.0279838">https://doi.org/10.1371/journal.pone.0279838</a>
  chicago: Mckerral, Jody C., Maria Kleshnina, Vladimir Ejov, Louise Bartle, James
    G. Mitchell, and Jerzy A. Filar. “Empirical Parameterisation and Dynamical Analysis
    of the Allometric Rosenzweig-MacArthur Equations.” <i>PLoS One</i>. Public Library
    of Science, 2023. <a href="https://doi.org/10.1371/journal.pone.0279838">https://doi.org/10.1371/journal.pone.0279838</a>.
  ieee: J. C. Mckerral, M. Kleshnina, V. Ejov, L. Bartle, J. G. Mitchell, and J. A.
    Filar, “Empirical parameterisation and dynamical analysis of the allometric Rosenzweig-MacArthur
    equations,” <i>PLoS One</i>, vol. 18, no. 2. Public Library of Science, p. e0279838,
    2023.
  ista: Mckerral JC, Kleshnina M, Ejov V, Bartle L, Mitchell JG, Filar JA. 2023. Empirical
    parameterisation and dynamical analysis of the allometric Rosenzweig-MacArthur
    equations. PLoS One. 18(2), e0279838.
  mla: Mckerral, Jody C., et al. “Empirical Parameterisation and Dynamical Analysis
    of the Allometric Rosenzweig-MacArthur Equations.” <i>PLoS One</i>, vol. 18, no.
    2, Public Library of Science, 2023, p. e0279838, doi:<a href="https://doi.org/10.1371/journal.pone.0279838">10.1371/journal.pone.0279838</a>.
  short: J.C. Mckerral, M. Kleshnina, V. Ejov, L. Bartle, J.G. Mitchell, J.A. Filar,
    PLoS One 18 (2023) e0279838.
date_created: 2023-03-05T23:01:05Z
date_published: 2023-02-27T00:00:00Z
date_updated: 2023-10-17T12:53:30Z
day: '27'
ddc:
- '000'
department:
- _id: KrCh
doi: 10.1371/journal.pone.0279838
external_id:
  isi:
  - '000996122900022'
  pmid:
  - '36848357'
file:
- access_level: open_access
  checksum: 798ed5739a4117b03173e5d56e0534c9
  content_type: application/pdf
  creator: cchlebak
  date_created: 2023-03-07T10:26:45Z
  date_updated: 2023-03-07T10:26:45Z
  file_id: '12712'
  file_name: 2023_PLOSOne_Mckerral.pdf
  file_size: 1257003
  relation: main_file
  success: 1
file_date_updated: 2023-03-07T10:26:45Z
has_accepted_license: '1'
intvolume: '        18'
isi: 1
issue: '2'
language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
page: e0279838
pmid: 1
publication: PLoS One
publication_identifier:
  eissn:
  - 1932-6203
publication_status: published
publisher: Public Library of Science
quality_controlled: '1'
scopus_import: '1'
status: public
title: Empirical parameterisation and dynamical analysis of the allometric Rosenzweig-MacArthur
  equations
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: 18
year: '2023'
...
---
_id: '12707'
abstract:
- lang: eng
  text: We establish precise right-tail small deviation estimates for the largest
    eigenvalue of real symmetric and complex Hermitian matrices whose entries are
    independent random variables with uniformly bounded moments. The proof relies
    on a Green function comparison along a continuous interpolating matrix flow for
    a long time. Less precise estimates are also obtained in the left tail.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: László
  full_name: Erdös, László
  id: 4DBD5372-F248-11E8-B48F-1D18A9856A87
  last_name: Erdös
  orcid: 0000-0001-5366-9603
- first_name: Yuanyuan
  full_name: Xu, Yuanyuan
  id: 7902bdb1-a2a4-11eb-a164-c9216f71aea3
  last_name: Xu
  orcid: 0000-0003-1559-1205
citation:
  ama: Erdös L, Xu Y. Small deviation estimates for the largest eigenvalue of Wigner
    matrices. <i>Bernoulli</i>. 2023;29(2):1063-1079. doi:<a href="https://doi.org/10.3150/22-BEJ1490">10.3150/22-BEJ1490</a>
  apa: Erdös, L., &#38; Xu, Y. (2023). Small deviation estimates for the largest eigenvalue
    of Wigner matrices. <i>Bernoulli</i>. Bernoulli Society for Mathematical Statistics
    and Probability. <a href="https://doi.org/10.3150/22-BEJ1490">https://doi.org/10.3150/22-BEJ1490</a>
  chicago: Erdös, László, and Yuanyuan Xu. “Small Deviation Estimates for the Largest
    Eigenvalue of Wigner Matrices.” <i>Bernoulli</i>. Bernoulli Society for Mathematical
    Statistics and Probability, 2023. <a href="https://doi.org/10.3150/22-BEJ1490">https://doi.org/10.3150/22-BEJ1490</a>.
  ieee: L. Erdös and Y. Xu, “Small deviation estimates for the largest eigenvalue
    of Wigner matrices,” <i>Bernoulli</i>, vol. 29, no. 2. Bernoulli Society for Mathematical
    Statistics and Probability, pp. 1063–1079, 2023.
  ista: Erdös L, Xu Y. 2023. Small deviation estimates for the largest eigenvalue
    of Wigner matrices. Bernoulli. 29(2), 1063–1079.
  mla: Erdös, László, and Yuanyuan Xu. “Small Deviation Estimates for the Largest
    Eigenvalue of Wigner Matrices.” <i>Bernoulli</i>, vol. 29, no. 2, Bernoulli Society
    for Mathematical Statistics and Probability, 2023, pp. 1063–79, doi:<a href="https://doi.org/10.3150/22-BEJ1490">10.3150/22-BEJ1490</a>.
  short: L. Erdös, Y. Xu, Bernoulli 29 (2023) 1063–1079.
date_created: 2023-03-05T23:01:05Z
date_published: 2023-05-01T00:00:00Z
date_updated: 2023-10-04T10:21:07Z
day: '01'
department:
- _id: LaEr
doi: 10.3150/22-BEJ1490
ec_funded: 1
external_id:
  arxiv:
  - '2112.12093 '
  isi:
  - '000947270100008'
intvolume: '        29'
isi: 1
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/abs/2112.12093
month: '05'
oa: 1
oa_version: Preprint
page: 1063-1079
project:
- _id: 62796744-2b32-11ec-9570-940b20777f1d
  call_identifier: H2020
  grant_number: '101020331'
  name: Random matrices beyond Wigner-Dyson-Mehta
publication: Bernoulli
publication_identifier:
  issn:
  - 1350-7265
publication_status: published
publisher: Bernoulli Society for Mathematical Statistics and Probability
quality_controlled: '1'
scopus_import: '1'
status: public
title: Small deviation estimates for the largest eigenvalue of Wigner matrices
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 29
year: '2023'
...
---
_id: '12708'
abstract:
- lang: eng
  text: Self-organisation is the spontaneous emergence of spatio-temporal structures
    and patterns from the interaction of smaller individual units. Examples are found
    across many scales in very different systems and scientific disciplines, from
    physics, materials science and robotics to biology, geophysics and astronomy.
    Recent research has highlighted how self-organisation can be both mediated and
    controlled by confinement. Confinement is an action over a system that limits
    its units’ translational and rotational degrees of freedom, thus also influencing
    the system's phase space probability density; it can function as either a catalyst
    or inhibitor of self-organisation. Confinement can then become a means to actively
    steer the emergence or suppression of collective phenomena in space and time.
    Here, to provide a common framework and perspective for future research, we examine
    the role of confinement in the self-organisation of soft-matter systems and identify
    overarching scientific challenges that need to be addressed to harness its full
    scientific and technological potential in soft matter and related fields. By drawing
    analogies with other disciplines, this framework will accelerate a common deeper
    understanding of self-organisation and trigger the development of innovative strategies
    to steer it using confinement, with impact on, e.g., the design of smarter materials,
    tissue engineering for biomedicine and in guiding active matter.
acknowledgement: 'All authors are grateful to the Lorentz Center for providing a venue
  for stimulating scientific discussions and to sponsor a workshop on the topic of
  “Self-organisation under confinement” along with the 4TU Federation, the J. M. Burgers
  Center for Fluid Dynamics and the MESA+ Institute for Nanotechnology at the University
  of Twente. The authors are also grateful to Paolo Malgaretti, Federico Toschi, Twan
  Wilting and Jaap den Toonder for valuable feedback. N. A. acknowledges financial
  support from the Portuguese Foundation for Science and Technology (FCT) under Contracts
  no. PTDC/FIS-MAC/28146/2017 (LISBOA-01-0145-FEDER-028146), UIDB/00618/2020, and
  UIDP/00618/2020. L. M. C. J. acknowledges financial support from the Netherlands
  Organisation for Scientific Research (NWO) through a START-UP, Physics Projectruimte,
  and Vidi grant. I. C. was supported in part by a grant from by the Army Research
  Office (ARO W911NF-18-1-0032) and the Cornell Center for Materials Research (DMR-1719875).
  O. D. acknowledges funding by the Agence Nationale pour la Recherche under Grant
  No ANR-18-CE33-0006 MSR. M. D. acknowledges financial support from the European
  Research Council (Grant No. ERC-2019-ADV-H2020 884902 SoftML). W. M. D. acknowledges
  funding from a BBSRC New Investigator Grant (BB/R018383/1). S. G. was supported
  by DARPA Young Faculty Award # D19AP00046, and NSF IIS grant # 1955210. H. G. acknowledges
  financial support from the Netherlands Organisation for Scientific Research (NWO)
  through Veni Grant No. 680-47-451. R. G. acknowledges support from the Max Planck
  School Matter to Life and the MaxSynBio Consortium, which are jointly funded by
  the Federal Ministry of Education and Research (BMBF) of Germany, and the Max Planck
  Society. L. I. acknowledges funding from the Horizon Europe ERC Consolidator Grant
  ACTIVE_ ADAPTIVE (Grant No. 101001514). G. H. K. gratefully acknowledges the NWO
  Talent Programme which is financed by the Dutch Research Council (project number
  VI.C.182.004). H. L. and N. V. acknowledge funding from the Deutsche Forschungsgemeinschaft
  (DFG) under grant numbers VO 1824/8-1 and LO 418/22-1. R. M. acknowledges funding
  from the Deutsche Forschungsgemeinschaft (DFG) under grant number ME 1535/13-1 and
  ME 1535/16-1. M. P. acknowledges funding from the Ramón y Cajal Program, grant no.
  RYC-2018-02534, and the Leverhulme Trust, grant no. RPG-2018-345. A. Š. acknowledges
  financial support from the European Research Council (Grant No. ERC-2018-STG-H2020
  802960 NEPA). A. S. acknowledges funding from an ATTRACT Investigator Grant (No.
  A17/MS/11572821/MBRACE) from the Luxembourg National Research Fund. C. S. acknowledges
  funding from the French Agence Nationale pour la Recherche (ANR), grant ANR-14-CE090006
  and ANR-12-BSV5001401, by the Fondation pour la Recherche Médicale (FRM), grant
  DEQ20120323737, and from the PIC3I of Institut Curie, France. I. T. acknowledges
  funding from grant IED2019-00058I/AEI/10.13039/501100011033. M. P. and I. T. also
  acknowledge funding from grant PID2019-104232B-I00/AEI/10.13039/501100011033 and
  from the H2020 MSCA ITN PHYMOT (Grant agreement No 95591). I. Z. acknowledges funding
  from Project PID2020-114839GB-I00 MINECO/AEI/FEDER, UE. A. M. acknowledges funding
  from the European Research Council, Starting Grant No. 678573 NanoPacks. G. V. acknowledges
  sponsorship for this work by the US Office of Naval Research Global (Award No. N62909-18-1-2170).'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Nuno A.M.
  full_name: Araújo, Nuno A.M.
  last_name: Araújo
- first_name: Liesbeth M.C.
  full_name: Janssen, Liesbeth M.C.
  last_name: Janssen
- first_name: Thomas
  full_name: Barois, Thomas
  last_name: Barois
- first_name: Guido
  full_name: Boffetta, Guido
  last_name: Boffetta
- first_name: Itai
  full_name: Cohen, Itai
  last_name: Cohen
- first_name: Alessandro
  full_name: Corbetta, Alessandro
  last_name: Corbetta
- first_name: Olivier
  full_name: Dauchot, Olivier
  last_name: Dauchot
- first_name: Marjolein
  full_name: Dijkstra, Marjolein
  last_name: Dijkstra
- first_name: William M.
  full_name: Durham, William M.
  last_name: Durham
- first_name: Audrey
  full_name: Dussutour, Audrey
  last_name: Dussutour
- first_name: Simon
  full_name: Garnier, Simon
  last_name: Garnier
- first_name: Hanneke
  full_name: Gelderblom, Hanneke
  last_name: Gelderblom
- first_name: Ramin
  full_name: Golestanian, Ramin
  last_name: Golestanian
- first_name: Lucio
  full_name: Isa, Lucio
  last_name: Isa
- first_name: Gijsje H.
  full_name: Koenderink, Gijsje H.
  last_name: Koenderink
- first_name: Hartmut
  full_name: Löwen, Hartmut
  last_name: Löwen
- first_name: Ralf
  full_name: Metzler, Ralf
  last_name: Metzler
- first_name: Marco
  full_name: Polin, Marco
  last_name: Polin
- first_name: C. Patrick
  full_name: Royall, C. Patrick
  last_name: Royall
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
- first_name: Anupam
  full_name: Sengupta, Anupam
  last_name: Sengupta
- first_name: Cécile
  full_name: Sykes, Cécile
  last_name: Sykes
- first_name: Vito
  full_name: Trianni, Vito
  last_name: Trianni
- first_name: Idan
  full_name: Tuval, Idan
  last_name: Tuval
- first_name: Nicolas
  full_name: Vogel, Nicolas
  last_name: Vogel
- first_name: Julia M.
  full_name: Yeomans, Julia M.
  last_name: Yeomans
- first_name: Iker
  full_name: Zuriguel, Iker
  last_name: Zuriguel
- first_name: Alvaro
  full_name: Marin, Alvaro
  last_name: Marin
- first_name: Giorgio
  full_name: Volpe, Giorgio
  last_name: Volpe
citation:
  ama: Araújo NAM, Janssen LMC, Barois T, et al. Steering self-organisation through
    confinement. <i>Soft Matter</i>. 2023;19:1695-1704. doi:<a href="https://doi.org/10.1039/d2sm01562e">10.1039/d2sm01562e</a>
  apa: Araújo, N. A. M., Janssen, L. M. C., Barois, T., Boffetta, G., Cohen, I., Corbetta,
    A., … Volpe, G. (2023). Steering self-organisation through confinement. <i>Soft
    Matter</i>. Royal Society of Chemistry. <a href="https://doi.org/10.1039/d2sm01562e">https://doi.org/10.1039/d2sm01562e</a>
  chicago: Araújo, Nuno A.M., Liesbeth M.C. Janssen, Thomas Barois, Guido Boffetta,
    Itai Cohen, Alessandro Corbetta, Olivier Dauchot, et al. “Steering Self-Organisation
    through Confinement.” <i>Soft Matter</i>. Royal Society of Chemistry, 2023. <a
    href="https://doi.org/10.1039/d2sm01562e">https://doi.org/10.1039/d2sm01562e</a>.
  ieee: N. A. M. Araújo <i>et al.</i>, “Steering self-organisation through confinement,”
    <i>Soft Matter</i>, vol. 19. Royal Society of Chemistry, pp. 1695–1704, 2023.
  ista: Araújo NAM, Janssen LMC, Barois T, Boffetta G, Cohen I, Corbetta A, Dauchot
    O, Dijkstra M, Durham WM, Dussutour A, Garnier S, Gelderblom H, Golestanian R,
    Isa L, Koenderink GH, Löwen H, Metzler R, Polin M, Royall CP, Šarić A, Sengupta
    A, Sykes C, Trianni V, Tuval I, Vogel N, Yeomans JM, Zuriguel I, Marin A, Volpe
    G. 2023. Steering self-organisation through confinement. Soft Matter. 19, 1695–1704.
  mla: Araújo, Nuno A. M., et al. “Steering Self-Organisation through Confinement.”
    <i>Soft Matter</i>, vol. 19, Royal Society of Chemistry, 2023, pp. 1695–704, doi:<a
    href="https://doi.org/10.1039/d2sm01562e">10.1039/d2sm01562e</a>.
  short: N.A.M. Araújo, L.M.C. Janssen, T. Barois, G. Boffetta, I. Cohen, A. Corbetta,
    O. Dauchot, M. Dijkstra, W.M. Durham, A. Dussutour, S. Garnier, H. Gelderblom,
    R. Golestanian, L. Isa, G.H. Koenderink, H. Löwen, R. Metzler, M. Polin, C.P.
    Royall, A. Šarić, A. Sengupta, C. Sykes, V. Trianni, I. Tuval, N. Vogel, J.M.
    Yeomans, I. Zuriguel, A. Marin, G. Volpe, Soft Matter 19 (2023) 1695–1704.
date_created: 2023-03-05T23:01:06Z
date_published: 2023-02-06T00:00:00Z
date_updated: 2023-08-01T13:28:39Z
day: '06'
ddc:
- '540'
department:
- _id: AnSa
doi: 10.1039/d2sm01562e
ec_funded: 1
external_id:
  arxiv:
  - '2204.10059'
  isi:
  - '000940388100001'
file:
- access_level: open_access
  checksum: af95aa18b9b01e32fb8f13477c0e2687
  content_type: application/pdf
  creator: cchlebak
  date_created: 2023-03-07T09:19:41Z
  date_updated: 2023-03-07T09:19:41Z
  file_id: '12711'
  file_name: 2023_SoftMatter_Araujo.pdf
  file_size: 3581939
  relation: main_file
  success: 1
file_date_updated: 2023-03-07T09:19:41Z
has_accepted_license: '1'
intvolume: '        19'
isi: 1
language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
page: 1695-1704
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: 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: Steering self-organisation through confinement
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: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 19
year: '2023'
...
---
_id: '12709'
abstract:
- lang: eng
  text: Given a finite set A ⊂ ℝ^d, let Cov_{r,k} denote the set of all points within
    distance r to at least k points of A. Allowing r and k to vary, we obtain a 2-parameter
    family of spaces that grow larger when r increases or k decreases, called the
    multicover bifiltration. Motivated by the problem of computing the homology of
    this bifiltration, we introduce two closely related combinatorial bifiltrations,
    one polyhedral and the other simplicial, which are both topologically equivalent
    to the multicover bifiltration and far smaller than a Čech-based model considered
    in prior work of Sheehy. Our polyhedral construction is a bifiltration of the
    rhomboid tiling of Edelsbrunner and Osang, and can be efficiently computed using
    a variant of an algorithm given by these authors as well. Using an implementation
    for dimension 2 and 3, we provide experimental results. Our simplicial construction
    is useful for understanding the polyhedral construction and proving its correctness.
acknowledgement: We thank the anonymous reviewers for many helpful comments and suggestions,
  which led to substantial improvements of the paper. The first two authors were supported
  by the Austrian Science Fund (FWF) grant number P 29984-N35 and W1230. The first
  author was partly supported by an Austrian Marshall Plan Scholarship, and by the
  Brummer & Partners MathDataLab. A conference version of this paper was presented
  at the 37th International Symposium on Computational Geometry (SoCG 2021). Open
  access funding provided by the Royal Institute of Technology.
article_processing_charge: Yes (via OA deal)
article_type: original
arxiv: 1
author:
- first_name: René
  full_name: Corbet, René
  last_name: Corbet
- first_name: Michael
  full_name: Kerber, Michael
  id: 36E4574A-F248-11E8-B48F-1D18A9856A87
  last_name: Kerber
  orcid: 0000-0002-8030-9299
- first_name: Michael
  full_name: Lesnick, Michael
  last_name: Lesnick
- first_name: Georg F
  full_name: Osang, Georg F
  id: 464B40D6-F248-11E8-B48F-1D18A9856A87
  last_name: Osang
  orcid: 0000-0002-8882-5116
citation:
  ama: Corbet R, Kerber M, Lesnick M, Osang GF. Computing the multicover bifiltration.
    <i>Discrete and Computational Geometry</i>. 2023;70:376-405. doi:<a href="https://doi.org/10.1007/s00454-022-00476-8">10.1007/s00454-022-00476-8</a>
  apa: Corbet, R., Kerber, M., Lesnick, M., &#38; Osang, G. F. (2023). Computing the
    multicover bifiltration. <i>Discrete and Computational Geometry</i>. Springer
    Nature. <a href="https://doi.org/10.1007/s00454-022-00476-8">https://doi.org/10.1007/s00454-022-00476-8</a>
  chicago: Corbet, René, Michael Kerber, Michael Lesnick, and Georg F Osang. “Computing
    the Multicover Bifiltration.” <i>Discrete and Computational Geometry</i>. Springer
    Nature, 2023. <a href="https://doi.org/10.1007/s00454-022-00476-8">https://doi.org/10.1007/s00454-022-00476-8</a>.
  ieee: R. Corbet, M. Kerber, M. Lesnick, and G. F. Osang, “Computing the multicover
    bifiltration,” <i>Discrete and Computational Geometry</i>, vol. 70. Springer Nature,
    pp. 376–405, 2023.
  ista: Corbet R, Kerber M, Lesnick M, Osang GF. 2023. Computing the multicover bifiltration.
    Discrete and Computational Geometry. 70, 376–405.
  mla: Corbet, René, et al. “Computing the Multicover Bifiltration.” <i>Discrete and
    Computational Geometry</i>, vol. 70, Springer Nature, 2023, pp. 376–405, doi:<a
    href="https://doi.org/10.1007/s00454-022-00476-8">10.1007/s00454-022-00476-8</a>.
  short: R. Corbet, M. Kerber, M. Lesnick, G.F. Osang, Discrete and Computational
    Geometry 70 (2023) 376–405.
date_created: 2023-03-05T23:01:06Z
date_published: 2023-09-01T00:00:00Z
date_updated: 2023-10-04T12:03:40Z
day: '01'
ddc:
- '000'
department:
- _id: HeEd
doi: 10.1007/s00454-022-00476-8
external_id:
  arxiv:
  - '2103.07823'
  isi:
  - '000936496800001'
file:
- access_level: open_access
  checksum: 71ce7e59f7ee4620acc704fecca620c2
  content_type: application/pdf
  creator: cchlebak
  date_created: 2023-03-07T14:40:14Z
  date_updated: 2023-03-07T14:40:14Z
  file_id: '12715'
  file_name: 2023_DisCompGeo_Corbet.pdf
  file_size: 1359323
  relation: main_file
  success: 1
file_date_updated: 2023-03-07T14:40:14Z
has_accepted_license: '1'
intvolume: '        70'
isi: 1
language:
- iso: eng
month: '09'
oa: 1
oa_version: Published Version
page: 376-405
publication: Discrete and Computational Geometry
publication_identifier:
  eissn:
  - 1432-0444
  issn:
  - 0179-5376
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
related_material:
  record:
  - id: '9605'
    relation: earlier_version
    status: public
scopus_import: '1'
status: public
title: Computing the multicover bifiltration
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: 70
year: '2023'
...
---
_id: '12710'
abstract:
- lang: eng
  text: Surface curvature both emerges from, and influences the behavior of, living
    objects at length scales ranging from cell membranes to single cells to tissues
    and organs. The relevance of surface curvature in biology is supported by numerous
    experimental and theoretical investigations in recent years. In this review, first,
    a brief introduction to the key ideas of surface curvature in the context of biological
    systems is given and the challenges that arise when measuring surface curvature
    are discussed. Giving an overview of the emergence of curvature in biological
    systems, its significance at different length scales becomes apparent. On the
    other hand, summarizing current findings also shows that both single cells and
    entire cell sheets, tissues or organisms respond to curvature by modulating their
    shape and their migration behavior. Finally, the interplay between the distribution
    of morphogens or micro-organisms and the emergence of curvature across length
    scales is addressed with examples demonstrating these key mechanistic principles
    of morphogenesis. Overall, this review highlights that curved interfaces are not
    merely a passive by-product of the chemical, biological, and mechanical processes
    but that curvature acts also as a signal that co-determines these processes.
acknowledgement: B.S. and A.R. contributed equally to this work. A.P.G.C. and P.R.F.
  acknowledge the funding from Fundação para a Ciência e Tecnologia (Portugal), through
  IDMEC, under LAETA project UIDB/50022/2020. T.H.V.P. acknowledges the funding from
  Fundação para a Ciência e Tecnologia (Portugal), through Ph.D. Grant 2020.04417.BD.
  A.S. acknowledges that this work was partially supported by the ATTRACT Investigator
  Grant (no. A17/MS/11572821/MBRACE, to A.S.) from the Luxembourg National Research
  Fund. The author thanks Gerardo Ceada for his help in the graphical representations.
  N.A.K. acknowledges support from the European Research Council (grant 851960) and
  the Gravitation Program “Materials Driven Regeneration,” funded by the Netherlands
  Organization for Scientific Research (024.003.013). M.B.A. acknowledges support
  from the French National Research Agency (grant ANR-201-8-CE1-3-0008 for the project
  “Epimorph”). G.E.S.T. acknowledges funding by the Australian Research Council through
  project DP200102593. A.C. acknowledges the funding from the Deutsche Forschungsgemeinschaft
  (DFG) Emmy Noether Grant CI 203/-2 1, the Spanish Ministry of Science and Innovation
  (PID2021-123013O-BI00) and the IKERBASQUE Basque Foundation for Science.
article_number: '2206110'
article_processing_charge: No
article_type: review
author:
- first_name: Barbara
  full_name: Schamberger, Barbara
  last_name: Schamberger
- first_name: Ricardo
  full_name: Ziege, Ricardo
  last_name: Ziege
- first_name: Karine
  full_name: Anselme, Karine
  last_name: Anselme
- first_name: Martine
  full_name: Ben Amar, Martine
  last_name: Ben Amar
- first_name: Michał
  full_name: Bykowski, Michał
  last_name: Bykowski
- first_name: André P.G.
  full_name: Castro, André P.G.
  last_name: Castro
- first_name: Amaia
  full_name: Cipitria, Amaia
  last_name: Cipitria
- first_name: Rhoslyn A.
  full_name: Coles, Rhoslyn A.
  last_name: Coles
- first_name: Rumiana
  full_name: Dimova, Rumiana
  last_name: Dimova
- first_name: Michaela
  full_name: Eder, Michaela
  last_name: Eder
- first_name: Sebastian
  full_name: Ehrig, Sebastian
  last_name: Ehrig
- first_name: Luis M.
  full_name: Escudero, Luis M.
  last_name: Escudero
- first_name: Myfanwy E.
  full_name: Evans, Myfanwy E.
  last_name: Evans
- first_name: Paulo R.
  full_name: Fernandes, Paulo R.
  last_name: Fernandes
- first_name: Peter
  full_name: Fratzl, Peter
  last_name: Fratzl
- first_name: Liesbet
  full_name: Geris, Liesbet
  last_name: Geris
- first_name: Notburga
  full_name: Gierlinger, Notburga
  last_name: Gierlinger
- first_name: Edouard B
  full_name: Hannezo, Edouard B
  id: 3A9DB764-F248-11E8-B48F-1D18A9856A87
  last_name: Hannezo
  orcid: 0000-0001-6005-1561
- first_name: Aleš
  full_name: Iglič, Aleš
  last_name: Iglič
- first_name: Jacob J.K.
  full_name: Kirkensgaard, Jacob J.K.
  last_name: Kirkensgaard
- first_name: Philip
  full_name: Kollmannsberger, Philip
  last_name: Kollmannsberger
- first_name: Łucja
  full_name: Kowalewska, Łucja
  last_name: Kowalewska
- first_name: Nicholas A.
  full_name: Kurniawan, Nicholas A.
  last_name: Kurniawan
- first_name: Ioannis
  full_name: Papantoniou, Ioannis
  last_name: Papantoniou
- first_name: Laurent
  full_name: Pieuchot, Laurent
  last_name: Pieuchot
- first_name: Tiago H.V.
  full_name: Pires, Tiago H.V.
  last_name: Pires
- first_name: Lars D.
  full_name: Renner, Lars D.
  last_name: Renner
- first_name: Andrew O.
  full_name: Sageman-Furnas, Andrew O.
  last_name: Sageman-Furnas
- first_name: Gerd E.
  full_name: Schröder-Turk, Gerd E.
  last_name: Schröder-Turk
- first_name: Anupam
  full_name: Sengupta, Anupam
  last_name: Sengupta
- first_name: Vikas R.
  full_name: Sharma, Vikas R.
  last_name: Sharma
- first_name: Antonio
  full_name: Tagua, Antonio
  last_name: Tagua
- first_name: Caterina
  full_name: Tomba, Caterina
  last_name: Tomba
- first_name: Xavier
  full_name: Trepat, Xavier
  last_name: Trepat
- first_name: Sarah L.
  full_name: Waters, Sarah L.
  last_name: Waters
- first_name: Edwina F.
  full_name: Yeo, Edwina F.
  last_name: Yeo
- first_name: Andreas
  full_name: Roschger, Andreas
  last_name: Roschger
- first_name: Cécile M.
  full_name: Bidan, Cécile M.
  last_name: Bidan
- first_name: John W.C.
  full_name: Dunlop, John W.C.
  last_name: Dunlop
citation:
  ama: 'Schamberger B, Ziege R, Anselme K, et al. Curvature in biological systems:
    Its quantification, emergence, and implications across the scales. <i>Advanced
    Materials</i>. 2023;35(13). doi:<a href="https://doi.org/10.1002/adma.202206110">10.1002/adma.202206110</a>'
  apa: 'Schamberger, B., Ziege, R., Anselme, K., Ben Amar, M., Bykowski, M., Castro,
    A. P. G., … Dunlop, J. W. C. (2023). Curvature in biological systems: Its quantification,
    emergence, and implications across the scales. <i>Advanced Materials</i>. Wiley.
    <a href="https://doi.org/10.1002/adma.202206110">https://doi.org/10.1002/adma.202206110</a>'
  chicago: 'Schamberger, Barbara, Ricardo Ziege, Karine Anselme, Martine Ben Amar,
    Michał Bykowski, André P.G. Castro, Amaia Cipitria, et al. “Curvature in Biological
    Systems: Its Quantification, Emergence, and Implications across the Scales.” <i>Advanced
    Materials</i>. Wiley, 2023. <a href="https://doi.org/10.1002/adma.202206110">https://doi.org/10.1002/adma.202206110</a>.'
  ieee: 'B. Schamberger <i>et al.</i>, “Curvature in biological systems: Its quantification,
    emergence, and implications across the scales,” <i>Advanced Materials</i>, vol.
    35, no. 13. Wiley, 2023.'
  ista: 'Schamberger B, Ziege R, Anselme K, Ben Amar M, Bykowski M, Castro APG, Cipitria
    A, Coles RA, Dimova R, Eder M, Ehrig S, Escudero LM, Evans ME, Fernandes PR, Fratzl
    P, Geris L, Gierlinger N, Hannezo EB, Iglič A, Kirkensgaard JJK, Kollmannsberger
    P, Kowalewska Ł, Kurniawan NA, Papantoniou I, Pieuchot L, Pires THV, Renner LD,
    Sageman-Furnas AO, Schröder-Turk GE, Sengupta A, Sharma VR, Tagua A, Tomba C,
    Trepat X, Waters SL, Yeo EF, Roschger A, Bidan CM, Dunlop JWC. 2023. Curvature
    in biological systems: Its quantification, emergence, and implications across
    the scales. Advanced Materials. 35(13), 2206110.'
  mla: 'Schamberger, Barbara, et al. “Curvature in Biological Systems: Its Quantification,
    Emergence, and Implications across the Scales.” <i>Advanced Materials</i>, vol.
    35, no. 13, 2206110, Wiley, 2023, doi:<a href="https://doi.org/10.1002/adma.202206110">10.1002/adma.202206110</a>.'
  short: B. Schamberger, R. Ziege, K. Anselme, M. Ben Amar, M. Bykowski, A.P.G. Castro,
    A. Cipitria, R.A. Coles, R. Dimova, M. Eder, S. Ehrig, L.M. Escudero, M.E. Evans,
    P.R. Fernandes, P. Fratzl, L. Geris, N. Gierlinger, E.B. Hannezo, A. Iglič, J.J.K.
    Kirkensgaard, P. Kollmannsberger, Ł. Kowalewska, N.A. Kurniawan, I. Papantoniou,
    L. Pieuchot, T.H.V. Pires, L.D. Renner, A.O. Sageman-Furnas, G.E. Schröder-Turk,
    A. Sengupta, V.R. Sharma, A. Tagua, C. Tomba, X. Trepat, S.L. Waters, E.F. Yeo,
    A. Roschger, C.M. Bidan, J.W.C. Dunlop, Advanced Materials 35 (2023).
date_created: 2023-03-05T23:01:06Z
date_published: 2023-03-29T00:00:00Z
date_updated: 2023-09-26T10:56:46Z
day: '29'
ddc:
- '570'
department:
- _id: EdHa
doi: 10.1002/adma.202206110
external_id:
  isi:
  - '000941068900001'
  pmid:
  - '36461812'
file:
- access_level: open_access
  checksum: 5c04d68130e97a0ecd1ca27fbc15a246
  content_type: application/pdf
  creator: dernst
  date_created: 2023-09-26T10:51:56Z
  date_updated: 2023-09-26T10:51:56Z
  file_id: '14373'
  file_name: 2023_AdvancedMaterials_Schamberger.pdf
  file_size: 2898063
  relation: main_file
  success: 1
file_date_updated: 2023-09-26T10:51:56Z
has_accepted_license: '1'
intvolume: '        35'
isi: 1
issue: '13'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
pmid: 1
publication: Advanced Materials
publication_identifier:
  eissn:
  - 1521-4095
  issn:
  - 0935-9648
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Curvature in biological systems: Its quantification, emergence, and implications
  across the scales'
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: 35
year: '2023'
...
---
_id: '12716'
abstract:
- lang: eng
  text: "The process of detecting and evaluating sensory information to guide behaviour
    is termed perceptual decision-making (PDM), and is critical for the ability of
    an organism to interact with its external world. Individuals with autism, a neurodevelopmental
    condition primarily characterised by social and communication difficulties, frequently
    exhibit altered sensory processing and PDM difficulties are widely reported. Recent
    technological advancements have pushed forward our understanding of the genetic
    changes accompanying this condition, however our understanding of how these mutations
    affect the function of specific neuronal circuits and bring about the corresponding
    behavioural changes remains limited. Here, we use an innate PDM task, the looming
    avoidance response (LAR) paradigm, to identify a convergent behavioural abnormality
    across three molecularly distinct genetic mouse models of autism (Cul3, Setd5
    and Ptchd1). Although mutant mice can rapidly detect threatening visual stimuli,
    their responses are consistently delayed, requiring longer to initiate an appropriate
    response than their wild-type siblings. Mutant animals show abnormal adaptation
    in both their stimulus- evoked escape responses and exploratory dynamics following
    repeated stimulus presentations. Similarly delayed behavioural responses are observed
    in wild-type animals when faced with more ambiguous threats, suggesting the mutant
    phenotype could arise from a dysfunction in the flexible control of this PDM process.\r\nOur
    knowledge of the core neuronal circuitry mediating the LAR facilitated a detailed
    dissection of the neuronal mechanisms underlying the behavioural impairment. In
    vivo extracellular recording revealed that visual responses were unaffected within
    a key brain region for the rapid processing of visual threats, the superior colliculus
    (SC), indicating that the behavioural delay was unlikely to originate from sensory
    impairments. Delayed behavioural responses were recapitulated in the Setd5 model
    following optogenetic stimulation of the excitatory output neurons of the SC,
    which are known to mediate escape initiation through the activation of cells in
    the underlying dorsal periaqueductal grey (dPAG). In vitro patch-clamp recordings
    of dPAG cells uncovered a stark hypoexcitability phenotype in two out of the three
    genetic models investigated (Setd5 and Ptchd1), that in Setd5, is mediated by
    the misregulation of voltage-gated potassium channels. Overall, our results show
    that the ability to use visual information to drive efficient escape responses
    is impaired in three diverse genetic mouse models of autism and that, in one of
    the models studied, this behavioural delay likely originates from differences
    in the intrinsic excitability of a key subcortical node, the dPAG. Furthermore,
    this work showcases the use of an innate behavioural paradigm to mechanistically
    dissect PDM processes in autism."
acknowledged_ssus:
- _id: PreCl
- _id: Bio
- _id: LifeSc
- _id: M-Shop
- _id: CampIT
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Laura
  full_name: Burnett, Laura
  id: 3B717F68-F248-11E8-B48F-1D18A9856A87
  last_name: Burnett
  orcid: 0000-0002-8937-410X
citation:
  ama: Burnett L. To flee, or not to flee? Using innate defensive behaviours to investigate
    rapid perceptual decision-making through subcortical circuits in mouse models
    of autism. 2023. doi:<a href="https://doi.org/10.15479/at:ista:12716">10.15479/at:ista:12716</a>
  apa: Burnett, L. (2023). <i>To flee, or not to flee? Using innate defensive behaviours
    to investigate rapid perceptual decision-making through subcortical circuits in
    mouse models of autism</i>. Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/at:ista:12716">https://doi.org/10.15479/at:ista:12716</a>
  chicago: Burnett, Laura. “To Flee, or Not to Flee? Using Innate Defensive Behaviours
    to Investigate Rapid Perceptual Decision-Making through Subcortical Circuits in
    Mouse Models of Autism.” Institute of Science and Technology Austria, 2023. <a
    href="https://doi.org/10.15479/at:ista:12716">https://doi.org/10.15479/at:ista:12716</a>.
  ieee: L. Burnett, “To flee, or not to flee? Using innate defensive behaviours to
    investigate rapid perceptual decision-making through subcortical circuits in mouse
    models of autism,” Institute of Science and Technology Austria, 2023.
  ista: Burnett L. 2023. To flee, or not to flee? Using innate defensive behaviours
    to investigate rapid perceptual decision-making through subcortical circuits in
    mouse models of autism. Institute of Science and Technology Austria.
  mla: Burnett, Laura. <i>To Flee, or Not to Flee? Using Innate Defensive Behaviours
    to Investigate Rapid Perceptual Decision-Making through Subcortical Circuits in
    Mouse Models of Autism</i>. Institute of Science and Technology Austria, 2023,
    doi:<a href="https://doi.org/10.15479/at:ista:12716">10.15479/at:ista:12716</a>.
  short: L. Burnett, To Flee, or Not to Flee? Using Innate Defensive Behaviours to
    Investigate Rapid Perceptual Decision-Making through Subcortical Circuits in Mouse
    Models of Autism, Institute of Science and Technology Austria, 2023.
date_created: 2023-03-08T15:19:45Z
date_published: 2023-03-10T00:00:00Z
date_updated: 2023-04-05T10:59:04Z
day: '10'
ddc:
- '599'
- '573'
degree_awarded: PhD
department:
- _id: GradSch
- _id: MaJö
doi: 10.15479/at:ista:12716
ec_funded: 1
file:
- access_level: closed
  checksum: 6c6d9cc2c4cdacb74e6b1047a34d7332
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  creator: lburnett
  date_created: 2023-03-08T15:08:46Z
  date_updated: 2023-03-08T15:08:46Z
  file_id: '12717'
  file_name: Burnett_Thesis_2023.docx
  file_size: 23029260
  relation: source_file
- access_level: open_access
  checksum: cebc77705288bf4382db9b3541483cd0
  content_type: application/pdf
  creator: lburnett
  date_created: 2023-03-08T15:08:46Z
  date_updated: 2023-03-08T15:08:46Z
  file_id: '12718'
  file_name: Burnett_Thesis_2023_pdfA.pdf
  file_size: 11959869
  relation: main_file
  success: 1
file_date_updated: 2023-03-08T15:08:46Z
has_accepted_license: '1'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
page: '178'
project:
- _id: 2634E9D2-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '756502'
  name: Circuits of Visual Attention
publication_identifier:
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
status: public
supervisor:
- first_name: Maximilian A
  full_name: Jösch, Maximilian A
  id: 2BD278E6-F248-11E8-B48F-1D18A9856A87
  last_name: Jösch
  orcid: 0000-0002-3937-1330
title: To flee, or not to flee? Using innate defensive behaviours to investigate rapid
  perceptual decision-making through subcortical circuits in mouse models of autism
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2023'
...
---
_id: '12719'
abstract:
- lang: eng
  text: "Background\r\nEpigenetic clocks can track both chronological age (cAge) and
    biological age (bAge). The latter is typically defined by physiological biomarkers
    and risk of adverse health outcomes, including all-cause mortality. As cohort
    sample sizes increase, estimates of cAge and bAge become more precise. Here, we
    aim to develop accurate epigenetic predictors of cAge and bAge, whilst improving
    our understanding of their epigenomic architecture.\r\n\r\nMethods\r\nFirst, we
    perform large-scale (N = 18,413) epigenome-wide association studies (EWAS) of
    chronological age and all-cause mortality. Next, to create a cAge predictor, we
    use methylation data from 24,674 participants from the Generation Scotland study,
    the Lothian Birth Cohorts (LBC) of 1921 and 1936, and 8 other cohorts with publicly
    available data. In addition, we train a predictor of time to all-cause mortality
    as a proxy for bAge using the Generation Scotland cohort (1214 observed deaths).
    For this purpose, we use epigenetic surrogates (EpiScores) for 109 plasma proteins
    and the 8 component parts of GrimAge, one of the current best epigenetic predictors
    of survival. We test this bAge predictor in four external cohorts (LBC1921, LBC1936,
    the Framingham Heart Study and the Women’s Health Initiative study).\r\n\r\nResults\r\nThrough
    the inclusion of linear and non-linear age-CpG associations from the EWAS, feature
    pre-selection in advance of elastic net regression, and a leave-one-cohort-out
    (LOCO) cross-validation framework, we obtain cAge prediction with a median absolute
    error equal to 2.3 years. Our bAge predictor was found to slightly outperform
    GrimAge in terms of the strength of its association to survival (HRGrimAge = 1.47
    [1.40, 1.54] with p = 1.08 × 10−52, and HRbAge = 1.52 [1.44, 1.59] with p = 2.20 × 10−60).
    Finally, we introduce MethylBrowsR, an online tool to visualise epigenome-wide
    CpG-age associations.\r\n\r\nConclusions\r\nThe integration of multiple large
    datasets, EpiScores, non-linear DNAm effects, and new approaches to feature selection
    has facilitated improvements to the blood-based epigenetic prediction of biological
    and chronological age."
acknowledgement: We are grateful to all the families who took part, the general practitioners,
  and the Scottish School of Primary Care for their help in recruiting them and the
  whole GS team that includes interviewers, computer and laboratory technicians, clerical
  workers, research scientists, volunteers, managers, receptionists, healthcare assistants,
  and nurses.
article_number: '12'
article_processing_charge: No
article_type: original
author:
- first_name: Elena
  full_name: Bernabeu, Elena
  last_name: Bernabeu
- first_name: Daniel L.
  full_name: Mccartney, Daniel L.
  last_name: Mccartney
- first_name: Danni A.
  full_name: Gadd, Danni A.
  last_name: Gadd
- first_name: Robert F.
  full_name: Hillary, Robert F.
  last_name: Hillary
- first_name: Ake T.
  full_name: Lu, Ake T.
  last_name: Lu
- first_name: Lee
  full_name: Murphy, Lee
  last_name: Murphy
- first_name: Nicola
  full_name: Wrobel, Nicola
  last_name: Wrobel
- first_name: Archie
  full_name: Campbell, Archie
  last_name: Campbell
- first_name: Sarah E.
  full_name: Harris, Sarah E.
  last_name: Harris
- first_name: David
  full_name: Liewald, David
  last_name: Liewald
- first_name: Caroline
  full_name: Hayward, Caroline
  last_name: Hayward
- first_name: Cathie
  full_name: Sudlow, Cathie
  last_name: Sudlow
- first_name: Simon R.
  full_name: Cox, Simon R.
  last_name: Cox
- first_name: Kathryn L.
  full_name: Evans, Kathryn L.
  last_name: Evans
- first_name: Steve
  full_name: Horvath, Steve
  last_name: Horvath
- first_name: Andrew M.
  full_name: Mcintosh, Andrew M.
  last_name: Mcintosh
- first_name: Matthew Richard
  full_name: Robinson, Matthew Richard
  id: E5D42276-F5DA-11E9-8E24-6303E6697425
  last_name: Robinson
  orcid: 0000-0001-8982-8813
- first_name: Catalina A.
  full_name: Vallejos, Catalina A.
  last_name: Vallejos
- first_name: Riccardo E.
  full_name: Marioni, Riccardo E.
  last_name: Marioni
citation:
  ama: Bernabeu E, Mccartney DL, Gadd DA, et al. Refining epigenetic prediction of
    chronological and biological age. <i>Genome Medicine</i>. 2023;15. doi:<a href="https://doi.org/10.1186/s13073-023-01161-y">10.1186/s13073-023-01161-y</a>
  apa: Bernabeu, E., Mccartney, D. L., Gadd, D. A., Hillary, R. F., Lu, A. T., Murphy,
    L., … Marioni, R. E. (2023). Refining epigenetic prediction of chronological and
    biological age. <i>Genome Medicine</i>. Springer Nature. <a href="https://doi.org/10.1186/s13073-023-01161-y">https://doi.org/10.1186/s13073-023-01161-y</a>
  chicago: Bernabeu, Elena, Daniel L. Mccartney, Danni A. Gadd, Robert F. Hillary,
    Ake T. Lu, Lee Murphy, Nicola Wrobel, et al. “Refining Epigenetic Prediction of
    Chronological and Biological Age.” <i>Genome Medicine</i>. Springer Nature, 2023.
    <a href="https://doi.org/10.1186/s13073-023-01161-y">https://doi.org/10.1186/s13073-023-01161-y</a>.
  ieee: E. Bernabeu <i>et al.</i>, “Refining epigenetic prediction of chronological
    and biological age,” <i>Genome Medicine</i>, vol. 15. Springer Nature, 2023.
  ista: Bernabeu E, Mccartney DL, Gadd DA, Hillary RF, Lu AT, Murphy L, Wrobel N,
    Campbell A, Harris SE, Liewald D, Hayward C, Sudlow C, Cox SR, Evans KL, Horvath
    S, Mcintosh AM, Robinson MR, Vallejos CA, Marioni RE. 2023. Refining epigenetic
    prediction of chronological and biological age. Genome Medicine. 15, 12.
  mla: Bernabeu, Elena, et al. “Refining Epigenetic Prediction of Chronological and
    Biological Age.” <i>Genome Medicine</i>, vol. 15, 12, Springer Nature, 2023, doi:<a
    href="https://doi.org/10.1186/s13073-023-01161-y">10.1186/s13073-023-01161-y</a>.
  short: E. Bernabeu, D.L. Mccartney, D.A. Gadd, R.F. Hillary, A.T. Lu, L. Murphy,
    N. Wrobel, A. Campbell, S.E. Harris, D. Liewald, C. Hayward, C. Sudlow, S.R. Cox,
    K.L. Evans, S. Horvath, A.M. Mcintosh, M.R. Robinson, C.A. Vallejos, R.E. Marioni,
    Genome Medicine 15 (2023).
date_created: 2023-03-12T23:01:02Z
date_published: 2023-02-28T00:00:00Z
date_updated: 2023-08-01T13:38:12Z
day: '28'
ddc:
- '570'
department:
- _id: MaRo
doi: 10.1186/s13073-023-01161-y
external_id:
  isi:
  - '000940286600001'
file:
- access_level: open_access
  checksum: 833b837910c4db42fb5f0f34125f77a7
  content_type: application/pdf
  creator: cchlebak
  date_created: 2023-03-14T10:29:47Z
  date_updated: 2023-03-14T10:29:47Z
  file_id: '12722'
  file_name: 2023_GenomeMed_Bernabeu.pdf
  file_size: 4275987
  relation: main_file
  success: 1
file_date_updated: 2023-03-14T10:29:47Z
has_accepted_license: '1'
intvolume: '        15'
isi: 1
language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
publication: Genome Medicine
publication_identifier:
  eissn:
  - 1756-994X
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Refining epigenetic prediction of chronological and biological age
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: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 15
year: '2023'
...
---
_id: '12720'
abstract:
- lang: eng
  text: Here we describe the in vivo DNA assembly approach, where molecular cloning
    procedures are performed using an E. coli recA-independent recombination pathway,
    which assembles linear fragments of DNA with short homologous termini. This pathway
    is present in all standard laboratory E. coli strains and, by bypassing the need
    for in vitro DNA assembly, allows simplified molecular cloning to be performed
    without the plasmid instability issues associated with specialized recombination-cloning
    bacterial strains. The methodology requires specific primer design and can perform
    all standard plasmid modifications (insertions, deletions, mutagenesis, and sub-cloning)
    in a rapid, simple, and cost-efficient manner, as it does not require commercial
    kits or specialized bacterial strains. Additionally, this approach can be used
    to perform complex procedures such as multiple modifications to a plasmid, as
    up to 6 linear fragments can be assembled in vivo by this recombination pathway.
    Procedures generally require less than 3 h, involving PCR amplification, DpnI
    digestion of template DNA, and transformation, upon which circular plasmids are
    assembled. In this chapter we describe the requirements, procedure, and potential
    pitfalls when using this technique, as well as protocol variations to overcome
    the most common issues.
alternative_title:
- Methods in Molecular Biology
article_processing_charge: No
author:
- first_name: Sandra
  full_name: Arroyo-Urea, Sandra
  last_name: Arroyo-Urea
- first_name: Jake
  full_name: Watson, Jake
  id: 63836096-4690-11EA-BD4E-32803DDC885E
  last_name: Watson
  orcid: 0000-0002-8698-3823
- first_name: Javier
  full_name: García-Nafría, Javier
  last_name: García-Nafría
citation:
  ama: 'Arroyo-Urea S, Watson J, García-Nafría J. Molecular Cloning Using In Vivo
    DNA Assembly. In: Scarlett G, ed. <i>DNA Manipulation and Analysis</i>. Vol 2633.
    MIMB. New York, NY, United States: Springer Nature; 2023:33-44. doi:<a href="https://doi.org/10.1007/978-1-0716-3004-4_3">10.1007/978-1-0716-3004-4_3</a>'
  apa: 'Arroyo-Urea, S., Watson, J., &#38; García-Nafría, J. (2023). Molecular Cloning
    Using In Vivo DNA Assembly. In G. Scarlett (Ed.), <i>DNA Manipulation and Analysis</i>
    (Vol. 2633, pp. 33–44). New York, NY, United States: Springer Nature. <a href="https://doi.org/10.1007/978-1-0716-3004-4_3">https://doi.org/10.1007/978-1-0716-3004-4_3</a>'
  chicago: 'Arroyo-Urea, Sandra, Jake Watson, and Javier García-Nafría. “Molecular
    Cloning Using In Vivo DNA Assembly.” In <i>DNA Manipulation and Analysis</i>,
    edited by Garry Scarlett, 2633:33–44. MIMB. New York, NY, United States: Springer
    Nature, 2023. <a href="https://doi.org/10.1007/978-1-0716-3004-4_3">https://doi.org/10.1007/978-1-0716-3004-4_3</a>.'
  ieee: 'S. Arroyo-Urea, J. Watson, and J. García-Nafría, “Molecular Cloning Using
    In Vivo DNA Assembly,” in <i>DNA Manipulation and Analysis</i>, vol. 2633, G.
    Scarlett, Ed. New York, NY, United States: Springer Nature, 2023, pp. 33–44.'
  ista: 'Arroyo-Urea S, Watson J, García-Nafría J. 2023.Molecular Cloning Using In
    Vivo DNA Assembly. In: DNA Manipulation and Analysis. Methods in Molecular Biology,
    vol. 2633, 33–44.'
  mla: Arroyo-Urea, Sandra, et al. “Molecular Cloning Using In Vivo DNA Assembly.”
    <i>DNA Manipulation and Analysis</i>, edited by Garry Scarlett, vol. 2633, Springer
    Nature, 2023, pp. 33–44, doi:<a href="https://doi.org/10.1007/978-1-0716-3004-4_3">10.1007/978-1-0716-3004-4_3</a>.
  short: S. Arroyo-Urea, J. Watson, J. García-Nafría, in:, G. Scarlett (Ed.), DNA
    Manipulation and Analysis, Springer Nature, New York, NY, United States, 2023,
    pp. 33–44.
date_created: 2023-03-12T23:01:02Z
date_published: 2023-03-01T00:00:00Z
date_updated: 2023-03-16T08:34:24Z
day: '01'
department:
- _id: PeJo
doi: 10.1007/978-1-0716-3004-4_3
editor:
- first_name: Garry
  full_name: Scarlett, Garry
  last_name: Scarlett
external_id:
  pmid:
  - '36853454'
intvolume: '      2633'
language:
- iso: eng
month: '03'
oa_version: None
page: 33-44
place: New York, NY, United States
pmid: 1
publication: DNA Manipulation and Analysis
publication_identifier:
  eisbn:
  - 978-1-0716-3004-4
  eissn:
  - 1940-6029
  isbn:
  - 978-1-0716-3003-7
  issn:
  - 1064-3745
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
series_title: MIMB
status: public
title: Molecular Cloning Using In Vivo DNA Assembly
type: book_chapter
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 2633
year: '2023'
...
---
_id: '12723'
abstract:
- lang: eng
  text: 'Lead halide perovskites enjoy a number of remarkable optoelectronic properties.
    To explain their origin, it is necessary to study how electromagnetic fields interact
    with these systems. We address this problem here by studying two classical quantities:
    Faraday rotation and the complex refractive index in a paradigmatic perovskite
    CH3NH3PbBr3 in a broad wavelength range. We find that the minimal coupling of
    electromagnetic fields to the k⋅p Hamiltonian is insufficient to describe the
    observed data even on the qualitative level. To amend this, we demonstrate that
    there exists a relevant atomic-level coupling between electromagnetic fields and
    the spin degree of freedom. This spin-electric coupling allows for quantitative
    description of a number of previous as well as present experimental data. In particular,
    we use it here to show that the Faraday effect in lead halide perovskites is dominated
    by the Zeeman splitting of the energy levels and has a substantial beyond-Becquerel
    contribution. Finally, we present general symmetry-based phenomenological arguments
    that in the low-energy limit our effective model includes all basis coupling terms
    to the electromagnetic field in the linear order.'
article_number: '106901'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Artem
  full_name: Volosniev, Artem
  id: 37D278BC-F248-11E8-B48F-1D18A9856A87
  last_name: Volosniev
  orcid: 0000-0003-0393-5525
- first_name: Abhishek
  full_name: Shiva Kumar, Abhishek
  id: 5e9a6931-eb97-11eb-a6c2-e96f7058d77a
  last_name: Shiva Kumar
- first_name: Dusan
  full_name: Lorenc, Dusan
  id: 40D8A3E6-F248-11E8-B48F-1D18A9856A87
  last_name: Lorenc
- first_name: Younes
  full_name: Ashourishokri, Younes
  id: e32c111f-f6e0-11ea-865d-eb955baea334
  last_name: Ashourishokri
- first_name: Ayan A.
  full_name: Zhumekenov, Ayan A.
  last_name: Zhumekenov
- first_name: Osman M.
  full_name: Bakr, Osman M.
  last_name: Bakr
- first_name: Mikhail
  full_name: Lemeshko, Mikhail
  id: 37CB05FA-F248-11E8-B48F-1D18A9856A87
  last_name: Lemeshko
  orcid: 0000-0002-6990-7802
- first_name: Zhanybek
  full_name: Alpichshev, Zhanybek
  id: 45E67A2A-F248-11E8-B48F-1D18A9856A87
  last_name: Alpichshev
  orcid: 0000-0002-7183-5203
citation:
  ama: Volosniev A, Shiva Kumar A, Lorenc D, et al. Spin-electric coupling in lead
    halide perovskites. <i>Physical Review Letters</i>. 2023;130(10). doi:<a href="https://doi.org/10.1103/physrevlett.130.106901">10.1103/physrevlett.130.106901</a>
  apa: Volosniev, A., Shiva Kumar, A., Lorenc, D., Ashourishokri, Y., Zhumekenov,
    A. A., Bakr, O. M., … Alpichshev, Z. (2023). Spin-electric coupling in lead halide
    perovskites. <i>Physical Review Letters</i>. American Physical Society. <a href="https://doi.org/10.1103/physrevlett.130.106901">https://doi.org/10.1103/physrevlett.130.106901</a>
  chicago: Volosniev, Artem, Abhishek Shiva Kumar, Dusan Lorenc, Younes Ashourishokri,
    Ayan A. Zhumekenov, Osman M. Bakr, Mikhail Lemeshko, and Zhanybek Alpichshev.
    “Spin-Electric Coupling in Lead Halide Perovskites.” <i>Physical Review Letters</i>.
    American Physical Society, 2023. <a href="https://doi.org/10.1103/physrevlett.130.106901">https://doi.org/10.1103/physrevlett.130.106901</a>.
  ieee: A. Volosniev <i>et al.</i>, “Spin-electric coupling in lead halide perovskites,”
    <i>Physical Review Letters</i>, vol. 130, no. 10. American Physical Society, 2023.
  ista: Volosniev A, Shiva Kumar A, Lorenc D, Ashourishokri Y, Zhumekenov AA, Bakr
    OM, Lemeshko M, Alpichshev Z. 2023. Spin-electric coupling in lead halide perovskites.
    Physical Review Letters. 130(10), 106901.
  mla: Volosniev, Artem, et al. “Spin-Electric Coupling in Lead Halide Perovskites.”
    <i>Physical Review Letters</i>, vol. 130, no. 10, 106901, American Physical Society,
    2023, doi:<a href="https://doi.org/10.1103/physrevlett.130.106901">10.1103/physrevlett.130.106901</a>.
  short: A. Volosniev, A. Shiva Kumar, D. Lorenc, Y. Ashourishokri, A.A. Zhumekenov,
    O.M. Bakr, M. Lemeshko, Z. Alpichshev, Physical Review Letters 130 (2023).
date_created: 2023-03-14T13:11:59Z
date_published: 2023-03-10T00:00:00Z
date_updated: 2023-08-01T13:39:04Z
day: '10'
department:
- _id: GradSch
- _id: ZhAl
- _id: MiLe
doi: 10.1103/physrevlett.130.106901
external_id:
  arxiv:
  - '2203.09443'
  isi:
  - '000982435900002'
intvolume: '       130'
isi: 1
issue: '10'
keyword:
- General Physics and Astronomy
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2203.09443
month: '03'
oa: 1
oa_version: Preprint
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: Spin-electric coupling in lead halide perovskites
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 130
year: '2023'
...
---
_id: '12724'
abstract:
- lang: eng
  text: 'We use general symmetry-based arguments to construct an effective model suitable
    for studying optical properties of lead halide perovskites. To build the model,
    we identify an atomic-level interaction between electromagnetic fields and the
    spin degree of freedom that should be added to a minimally coupled k⋅p Hamiltonian.
    As a first application, we study two basic optical characteristics of the material:
    the Verdet constant and the refractive index. Beyond these linear characteristics
    of the material, the model is suitable for calculating nonlinear effects such
    as the third-order optical susceptibility. Analysis of this quantity shows that
    the geometrical properties of the spin-electric term imply isotropic optical response
    of the system, and that optical anisotropy of lead halide perovskites is a manifestation
    of hopping of charge carriers. To illustrate this, we discuss third-harmonic generation.'
article_number: '125201'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Artem
  full_name: Volosniev, Artem
  id: 37D278BC-F248-11E8-B48F-1D18A9856A87
  last_name: Volosniev
  orcid: 0000-0003-0393-5525
- first_name: Abhishek
  full_name: Shiva Kumar, Abhishek
  id: 5e9a6931-eb97-11eb-a6c2-e96f7058d77a
  last_name: Shiva Kumar
- first_name: Dusan
  full_name: Lorenc, Dusan
  id: 40D8A3E6-F248-11E8-B48F-1D18A9856A87
  last_name: Lorenc
- first_name: Younes
  full_name: Ashourishokri, Younes
  id: e32c111f-f6e0-11ea-865d-eb955baea334
  last_name: Ashourishokri
- first_name: Ayan
  full_name: Zhumekenov, Ayan
  last_name: Zhumekenov
- first_name: Osman M.
  full_name: Bakr, Osman M.
  last_name: Bakr
- first_name: Mikhail
  full_name: Lemeshko, Mikhail
  id: 37CB05FA-F248-11E8-B48F-1D18A9856A87
  last_name: Lemeshko
  orcid: 0000-0002-6990-7802
- first_name: Zhanybek
  full_name: Alpichshev, Zhanybek
  id: 45E67A2A-F248-11E8-B48F-1D18A9856A87
  last_name: Alpichshev
  orcid: 0000-0002-7183-5203
citation:
  ama: Volosniev A, Shiva Kumar A, Lorenc D, et al. Effective model for studying optical
    properties of lead halide perovskites. <i>Physical Review B</i>. 2023;107(12).
    doi:<a href="https://doi.org/10.1103/physrevb.107.125201">10.1103/physrevb.107.125201</a>
  apa: Volosniev, A., Shiva Kumar, A., Lorenc, D., Ashourishokri, Y., Zhumekenov,
    A., Bakr, O. M., … Alpichshev, Z. (2023). Effective model for studying optical
    properties of lead halide perovskites. <i>Physical Review B</i>. American Physical
    Society. <a href="https://doi.org/10.1103/physrevb.107.125201">https://doi.org/10.1103/physrevb.107.125201</a>
  chicago: Volosniev, Artem, Abhishek Shiva Kumar, Dusan Lorenc, Younes Ashourishokri,
    Ayan Zhumekenov, Osman M. Bakr, Mikhail Lemeshko, and Zhanybek Alpichshev. “Effective
    Model for Studying Optical Properties of Lead Halide Perovskites.” <i>Physical
    Review B</i>. American Physical Society, 2023. <a href="https://doi.org/10.1103/physrevb.107.125201">https://doi.org/10.1103/physrevb.107.125201</a>.
  ieee: A. Volosniev <i>et al.</i>, “Effective model for studying optical properties
    of lead halide perovskites,” <i>Physical Review B</i>, vol. 107, no. 12. American
    Physical Society, 2023.
  ista: Volosniev A, Shiva Kumar A, Lorenc D, Ashourishokri Y, Zhumekenov A, Bakr
    OM, Lemeshko M, Alpichshev Z. 2023. Effective model for studying optical properties
    of lead halide perovskites. Physical Review B. 107(12), 125201.
  mla: Volosniev, Artem, et al. “Effective Model for Studying Optical Properties of
    Lead Halide Perovskites.” <i>Physical Review B</i>, vol. 107, no. 12, 125201,
    American Physical Society, 2023, doi:<a href="https://doi.org/10.1103/physrevb.107.125201">10.1103/physrevb.107.125201</a>.
  short: A. Volosniev, A. Shiva Kumar, D. Lorenc, Y. Ashourishokri, A. Zhumekenov,
    O.M. Bakr, M. Lemeshko, Z. Alpichshev, Physical Review B 107 (2023).
date_created: 2023-03-14T13:13:05Z
date_published: 2023-03-15T00:00:00Z
date_updated: 2023-08-01T13:39:47Z
day: '15'
department:
- _id: GradSch
- _id: ZhAl
- _id: MiLe
doi: 10.1103/physrevb.107.125201
external_id:
  arxiv:
  - '2204.04022'
  isi:
  - '000972602200006'
intvolume: '       107'
isi: 1
issue: '12'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2204.04022
month: '03'
oa: 1
oa_version: Preprint
publication: Physical Review B
publication_identifier:
  eissn:
  - 2469-9969
  issn:
  - 2469-9950
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Effective model for studying optical properties of lead halide perovskites
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 107
year: '2023'
...
---
_id: '12726'
abstract:
- lang: eng
  text: "Most motions of many-body systems at any scale in nature with sufficient
    degrees\r\nof freedom tend to be chaotic; reaching from the orbital motion of
    planets, the air\r\ncurrents in our atmosphere, down to the water flowing through
    our pipelines or\r\nthe movement of a population of bacteria. To the observer
    it is therefore intriguing\r\nwhen a moving collective exhibits order. Collective
    motion of flocks of birds, schools\r\nof fish or swarms of self-propelled particles
    or robots have been studied extensively\r\nover the past decades but the mechanisms
    involved in the transition from chaos to\r\norder remain unclear. Here, the interactions,
    that in most systems give rise to chaos,\r\nsustain order. In this thesis we investigate
    mechanisms that preserve, destabilize\r\nor lead to the ordered state. We show
    that endothelial cells migrating in circular\r\nconfinements transition to a collective
    rotating state and concomitantly synchronize\r\nthe frequencies of nucleating
    actin waves within individual cells. Consequently,\r\nthe frequency dependent
    cell migration speed uniformizes across the population.\r\nComplementary to the
    WAVE dependent nucleation of traveling actin waves, we\r\nshow that in leukocytes
    the actin polymerization depending on WASp generates\r\npushing forces locally
    at stationary patches. Next, in pipe flows, we study methods\r\nto disrupt the
    self–sustaining cycle of turbulence and therefore relaminarize the\r\nflow. While
    we find in pulsating flow conditions that turbulence emerges through a\r\nhelical
    instability during the decelerating phase. Finally, we show quantitatively in\r\nbrain
    slices of mice that wild-type control neurons can compensate the migratory\r\ndeficits
    of a genetically modified neuronal sub–population in the developing cortex."
acknowledged_ssus:
- _id: M-Shop
- _id: Bio
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Michael
  full_name: Riedl, Michael
  id: 3BE60946-F248-11E8-B48F-1D18A9856A87
  last_name: Riedl
  orcid: 0000-0003-4844-6311
citation:
  ama: Riedl M. Synchronization in collectively moving active matter. 2023. doi:<a
    href="https://doi.org/10.15479/at:ista:12726">10.15479/at:ista:12726</a>
  apa: Riedl, M. (2023). <i>Synchronization in collectively moving active matter</i>.
    Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/at:ista:12726">https://doi.org/10.15479/at:ista:12726</a>
  chicago: Riedl, Michael. “Synchronization in Collectively Moving Active Matter.”
    Institute of Science and Technology Austria, 2023. <a href="https://doi.org/10.15479/at:ista:12726">https://doi.org/10.15479/at:ista:12726</a>.
  ieee: M. Riedl, “Synchronization in collectively moving active matter,” Institute
    of Science and Technology Austria, 2023.
  ista: Riedl M. 2023. Synchronization in collectively moving active matter. Institute
    of Science and Technology Austria.
  mla: Riedl, Michael. <i>Synchronization in Collectively Moving Active Matter</i>.
    Institute of Science and Technology Austria, 2023, doi:<a href="https://doi.org/10.15479/at:ista:12726">10.15479/at:ista:12726</a>.
  short: M. Riedl, Synchronization in Collectively Moving Active Matter, Institute
    of Science and Technology Austria, 2023.
date_created: 2023-03-15T13:22:13Z
date_published: 2023-03-23T00:00:00Z
date_updated: 2023-11-30T10:55:13Z
day: '23'
ddc:
- '530'
degree_awarded: PhD
department:
- _id: GradSch
- _id: BjHo
doi: 10.15479/at:ista:12726
file:
- access_level: closed
  checksum: eba0e19fe57a8c15e7aeab55a845efb7
  content_type: application/pdf
  creator: cchlebak
  date_created: 2023-03-23T12:49:23Z
  date_updated: 2023-11-24T11:57:46Z
  description: the main file is missing the bibliography. See new thesis record 14530
    for updated files.
  file_id: '12745'
  file_name: Thesis_Riedl_2023.pdf
  file_size: 63734746
  relation: main_file
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  date_created: 2023-03-23T12:54:34Z
  date_updated: 2023-09-24T22:30:03Z
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  file_name: Thesis_Riedl_2023_source.rar
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file_date_updated: 2023-11-24T11:57:46Z
has_accepted_license: '1'
language:
- iso: eng
month: '03'
oa_version: None
page: '260'
publication_identifier:
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '10703'
    relation: part_of_dissertation
    status: public
  - id: '10791'
    relation: part_of_dissertation
    status: public
  - id: '7932'
    relation: part_of_dissertation
    status: public
  - id: '461'
    relation: part_of_dissertation
    status: public
  - id: '14530'
    relation: new_edition
    status: public
status: public
supervisor:
- first_name: Björn
  full_name: Hof, Björn
  id: 3A374330-F248-11E8-B48F-1D18A9856A87
  last_name: Hof
  orcid: 0000-0003-2057-2754
title: Synchronization in collectively moving active matter
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2023'
...
---
_id: '12732'
abstract:
- lang: eng
  text: "Nonergodic systems, whose out-of-equilibrium dynamics fail to thermalize,
    provide a fascinating research direction both for fundamental reasons and for
    application in state of the art quantum devices.\r\nGoing beyond the description
    of statistical mechanics, ergodicity breaking yields a new paradigm in quantum
    many-body physics, introducing novel phases of matter with no counterpart at equilibrium.\r\nIn
    this Thesis, we address different open questions in the field, focusing on disorder-induced
    many-body localization (MBL) and on weak ergodicity breaking in kinetically constrained
    models.\r\nIn particular, we contribute to the debate about transport in kinetically
    constrained models, studying the effect of $U(1)$ conservation and inversion-symmetry
    breaking in a family of quantum East models.\r\nUsing tensor network techniques,
    we analyze the dynamics of large MBL systems beyond the limit of exact numerical
    methods.\r\nIn this setting, we approach the debated topic of the coexistence
    of localized and thermal eigenstates separated by energy thresholds known as many-body
    mobility edges.\r\nInspired by recent experiments, our work further investigates
    the localization of a small bath induced by the coupling to a large localized
    chain, the so-called MBL proximity effect.\r\n\r\nIn the first Chapter, we introduce
    a family of particle-conserving kinetically constrained models, inspired by the
    quantum East model.\r\nThe system we study features strong inversion-symmetry
    breaking, due to the nature of the correlated hopping.\r\nWe show that these models
    host so-called quantum Hilbert space fragmentation, consisting of disconnected
    subsectors in an entangled basis, and further provide an analytical description
    of this phenomenon.\r\nWe further probe its effect on dynamics of simple product
    states, showing revivals in fidelity and local observalbes.\r\nThe study of dynamics
    within the largest subsector reveals an anomalous transient superdiffusive behavior
    crossing over to slow logarithmic dynamics at later times.\r\nThis work suggests
    that particle conserving constrained models with inversion-symmetry breaking realize
    new universality classes of dynamics and invite their further theoretical and
    experimental studies.\r\n\r\nNext, we use kinetic constraints and disorder to
    design a model with many-body mobility edges in particle density.\r\nThis feature
    allows to study the dynamics of localized and thermal states in large systems
    beyond the limitations of previous studies.\r\nThe time-evolution shows typical
    signatures of localization at small densities, replaced by thermal behavior at
    larger densities.\r\nOur results provide evidence in favor of the stability of
    many-body mobility edges, which was recently challenged by a theoretical argument.\r\nTo
    support our findings, we probe the mechanism proposed as a cause of delocalization
    in many-body localized systems with mobility edges suggesting its ineffectiveness
    in the model studied.\r\n\r\nIn the last Chapter of this Thesis, we address the
    topic of many-body localization proximity effect.\r\nWe study a model inspired
    by recent experiments, featuring Anderson localized coupled to a small bath of
    free hard-core bosons.\r\nThe interaction among the two particle species results
    in non-trivial dynamics, which we probe using tensor network techniques.\r\nOur
    simulations show convincing evidence of many-body localization proximity effect
    when the bath is composed by a single free particle and interactions are strong.\r\nWe
    furthter observe an anomalous entanglement dynamics, which we explain through
    a phenomenological theory.\r\nFinally, we extract highly excited eigenstates of
    large systems, providing supplementary evidence in favor of our findings."
acknowledged_ssus:
- _id: ScienComp
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Pietro
  full_name: Brighi, Pietro
  id: 4115AF5C-F248-11E8-B48F-1D18A9856A87
  last_name: Brighi
  orcid: 0000-0002-7969-2729
citation:
  ama: Brighi P. Ergodicity breaking in disordered and kinetically constrained quantum
    many-body systems. 2023. doi:<a href="https://doi.org/10.15479/at:ista:12732">10.15479/at:ista:12732</a>
  apa: Brighi, P. (2023). <i>Ergodicity breaking in disordered and kinetically constrained
    quantum many-body systems</i>. Institute of Science and Technology Austria. <a
    href="https://doi.org/10.15479/at:ista:12732">https://doi.org/10.15479/at:ista:12732</a>
  chicago: Brighi, Pietro. “Ergodicity Breaking in Disordered and Kinetically Constrained
    Quantum Many-Body Systems.” Institute of Science and Technology Austria, 2023.
    <a href="https://doi.org/10.15479/at:ista:12732">https://doi.org/10.15479/at:ista:12732</a>.
  ieee: P. Brighi, “Ergodicity breaking in disordered and kinetically constrained
    quantum many-body systems,” Institute of Science and Technology Austria, 2023.
  ista: Brighi P. 2023. Ergodicity breaking in disordered and kinetically constrained
    quantum many-body systems. Institute of Science and Technology Austria.
  mla: Brighi, Pietro. <i>Ergodicity Breaking in Disordered and Kinetically Constrained
    Quantum Many-Body Systems</i>. Institute of Science and Technology Austria, 2023,
    doi:<a href="https://doi.org/10.15479/at:ista:12732">10.15479/at:ista:12732</a>.
  short: P. Brighi, Ergodicity Breaking in Disordered and Kinetically Constrained
    Quantum Many-Body Systems, Institute of Science and Technology Austria, 2023.
date_created: 2023-03-17T13:30:48Z
date_published: 2023-03-21T00:00:00Z
date_updated: 2023-09-20T10:44:12Z
day: '21'
ddc:
- '530'
degree_awarded: PhD
department:
- _id: GradSch
- _id: MaSe
doi: 10.15479/at:ista:12732
ec_funded: 1
file:
- access_level: closed
  checksum: 5d2de651ef9449c1b8dc27148ca74777
  content_type: application/zip
  creator: pbrighi
  date_created: 2023-03-23T16:42:56Z
  date_updated: 2023-03-23T16:42:56Z
  file_id: '12753'
  file_name: Thesis_sub_PBrighi.zip
  file_size: 42167561
  relation: source_file
- access_level: open_access
  checksum: 7caa153d4a5b0873a79358787d2dfe1e
  content_type: application/pdf
  creator: pbrighi
  date_created: 2023-03-23T16:43:14Z
  date_updated: 2023-03-23T16:43:14Z
  file_id: '12754'
  file_name: Thesis_PBrighi.pdf
  file_size: 13977000
  relation: main_file
  success: 1
file_date_updated: 2023-03-23T16:43:14Z
has_accepted_license: '1'
language:
- iso: eng
month: '03'
oa: 1
oa_version: None
page: '158'
project:
- _id: 23841C26-32DE-11EA-91FC-C7463DDC885E
  call_identifier: H2020
  grant_number: '850899'
  name: 'Non-Ergodic Quantum Matter: Universality, Dynamics and Control'
publication_identifier:
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '11470'
    relation: part_of_dissertation
    status: public
  - id: '8308'
    relation: part_of_dissertation
    status: public
  - id: '11469'
    relation: part_of_dissertation
    status: public
  - id: '12750'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Maksym
  full_name: Serbyn, Maksym
  id: 47809E7E-F248-11E8-B48F-1D18A9856A87
  last_name: Serbyn
  orcid: 0000-0002-2399-5827
title: Ergodicity breaking in disordered and kinetically constrained quantum many-body
  systems
tmp:
  image: /images/cc_by_nc_sa.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC
    BY-NC-SA 4.0)
  short: CC BY-NC-SA (4.0)
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2023'
...
---
_id: '12735'
abstract:
- lang: eng
  text: "Asynchronous programming has gained significant popularity over the last
    decade: support for this programming pattern is available in many popular languages
    via libraries and native language implementations, typically in the form of coroutines
    or the async/await construct. Instead of programming via shared memory, this concept
    assumes implicit synchronization through message passing. The key data structure
    enabling such communication is the rendezvous channel. Roughly, a rendezvous channel
    is a blocking queue of size zero, so both send(e) and receive() operations wait
    for each other, performing a rendezvous when they meet. To optimize the message
    passing pattern, channels are usually equipped with a fixed-size buffer, so sends
    do not suspend and put elements into the buffer until its capacity is exceeded.
    This primitive is known as a buffered channel.\r\n\r\nThis paper presents a fast
    and scalable algorithm for both rendezvous and buffered channels. Similarly to
    modern queues, our solution is based on an infinite array with two positional
    counters for send(e) and receive() operations, leveraging the unconditional Fetch-And-Add
    instruction to update them. Yet, the algorithm requires non-trivial modifications
    of this classic pattern, in order to support the full channel semantics, such
    as buffering and cancellation of waiting requests. We compare the performance
    of our solution to that of the Kotlin implementation, as well as against other
    academic proposals, showing up to 9.8× speedup. To showcase its expressiveness
    and performance, we also integrated the proposed algorithm into the standard Kotlin
    Coroutines library, replacing the previous channel implementations."
article_processing_charge: No
arxiv: 1
author:
- first_name: Nikita
  full_name: Koval, Nikita
  id: 2F4DB10C-F248-11E8-B48F-1D18A9856A87
  last_name: Koval
- first_name: Dan-Adrian
  full_name: Alistarh, Dan-Adrian
  id: 4A899BFC-F248-11E8-B48F-1D18A9856A87
  last_name: Alistarh
  orcid: 0000-0003-3650-940X
- first_name: Roman
  full_name: Elizarov, Roman
  last_name: Elizarov
citation:
  ama: 'Koval N, Alistarh D-A, Elizarov R. Fast and scalable channels in Kotlin Coroutines.
    In: <i>Proceedings of the ACM SIGPLAN Symposium on Principles and Practice of
    Parallel Programming</i>. Association for Computing Machinery; 2023:107-118. doi:<a
    href="https://doi.org/10.1145/3572848.3577481">10.1145/3572848.3577481</a>'
  apa: 'Koval, N., Alistarh, D.-A., &#38; Elizarov, R. (2023). Fast and scalable channels
    in Kotlin Coroutines. In <i>Proceedings of the ACM SIGPLAN Symposium on Principles
    and Practice of Parallel Programming</i> (pp. 107–118). Montreal, QC, Canada:
    Association for Computing Machinery. <a href="https://doi.org/10.1145/3572848.3577481">https://doi.org/10.1145/3572848.3577481</a>'
  chicago: Koval, Nikita, Dan-Adrian Alistarh, and Roman Elizarov. “Fast and Scalable
    Channels in Kotlin Coroutines.” In <i>Proceedings of the ACM SIGPLAN Symposium
    on Principles and Practice of Parallel Programming</i>, 107–18. Association for
    Computing Machinery, 2023. <a href="https://doi.org/10.1145/3572848.3577481">https://doi.org/10.1145/3572848.3577481</a>.
  ieee: N. Koval, D.-A. Alistarh, and R. Elizarov, “Fast and scalable channels in
    Kotlin Coroutines,” in <i>Proceedings of the ACM SIGPLAN Symposium on Principles
    and Practice of Parallel Programming</i>, Montreal, QC, Canada, 2023, pp. 107–118.
  ista: 'Koval N, Alistarh D-A, Elizarov R. 2023. Fast and scalable channels in Kotlin
    Coroutines. Proceedings of the ACM SIGPLAN Symposium on Principles and Practice
    of Parallel Programming. PPoPP: Sympopsium on Principles and Practice of Parallel
    Programming, 107–118.'
  mla: Koval, Nikita, et al. “Fast and Scalable Channels in Kotlin Coroutines.” <i>Proceedings
    of the ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming</i>,
    Association for Computing Machinery, 2023, pp. 107–18, doi:<a href="https://doi.org/10.1145/3572848.3577481">10.1145/3572848.3577481</a>.
  short: N. Koval, D.-A. Alistarh, R. Elizarov, in:, Proceedings of the ACM SIGPLAN
    Symposium on Principles and Practice of Parallel Programming, Association for
    Computing Machinery, 2023, pp. 107–118.
conference:
  end_date: 2023-03-01
  location: Montreal, QC, Canada
  name: 'PPoPP: Sympopsium on Principles and Practice of Parallel Programming'
  start_date: 2023-02-25
date_created: 2023-03-19T23:00:58Z
date_published: 2023-02-25T00:00:00Z
date_updated: 2023-03-20T07:29:28Z
day: '25'
department:
- _id: DaAl
doi: 10.1145/3572848.3577481
external_id:
  arxiv:
  - '2211.04986'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2211.04986
month: '02'
oa: 1
oa_version: Preprint
page: 107-118
publication: Proceedings of the ACM SIGPLAN Symposium on Principles and Practice of
  Parallel Programming
publication_identifier:
  isbn:
  - '9798400700156'
publication_status: published
publisher: Association for Computing Machinery
quality_controlled: '1'
scopus_import: '1'
status: public
title: Fast and scalable channels in Kotlin Coroutines
type: conference
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2023'
...
---
_id: '12736'
abstract:
- lang: eng
  text: Although a wide variety of handcrafted concurrent data structures have been
    proposed, there is considerable interest in universal approaches (Universal Constructions
    or UCs) for building concurrent data structures. UCs (semi-)automatically convert
    a sequential data structure into a concurrent one. The simplest approach uses
    locks [3, 6] that protect a sequential data structure and allow only one process
    to access it at a time. However, the resulting data structure is blocking. Most
    work on UCs instead focuses on obtaining non-blocking progress guarantees such
    as obstruction-freedom, lock-freedom or wait-freedom. Many non-blocking UCs have
    appeared. Key examples include the seminal wait-free UC [2] by Herlihy, a NUMA-aware
    UC [10] by Yi et al., and an efficient UC for large objects [1] by Fatourou et
    al.
acknowledgement: 'This work was supported by: the Natural Sciences and Engineering
  Research Council of Canada (NSERC) Discovery Program grant: RGPIN-2019-04227, and
  the Canada Foundation for Innovation John R. Evans Leaders Fund (CFI-JELF) with
  equal support from the Ontario Research Fund CFI Leaders Opportunity Fund: 38512.'
article_processing_charge: No
author:
- first_name: Vitaly
  full_name: Aksenov, Vitaly
  last_name: Aksenov
- first_name: Trevor A
  full_name: Brown, Trevor A
  id: 3569F0A0-F248-11E8-B48F-1D18A9856A87
  last_name: Brown
- first_name: Alexander
  full_name: Fedorov, Alexander
  id: 2e711909-896a-11ed-bdf8-eb0f5a2984c6
  last_name: Fedorov
- first_name: Ilya
  full_name: Kokorin, Ilya
  last_name: Kokorin
citation:
  ama: Aksenov V, Brown TA, Fedorov A, Kokorin I. <i>Unexpected Scaling in Path Copying
    Trees</i>. Association for Computing Machinery; 2023:438-440. doi:<a href="https://doi.org/10.1145/3572848.3577512">10.1145/3572848.3577512</a>
  apa: 'Aksenov, V., Brown, T. A., Fedorov, A., &#38; Kokorin, I. (2023). <i>Unexpected
    scaling in path copying trees</i>. <i>Proceedings of the ACM SIGPLAN Symposium
    on Principles and Practice of Parallel Programming</i> (pp. 438–440). Montreal,
    QB, Canada: Association for Computing Machinery. <a href="https://doi.org/10.1145/3572848.3577512">https://doi.org/10.1145/3572848.3577512</a>'
  chicago: Aksenov, Vitaly, Trevor A Brown, Alexander Fedorov, and Ilya Kokorin. <i>Unexpected
    Scaling in Path Copying Trees</i>. <i>Proceedings of the ACM SIGPLAN Symposium
    on Principles and Practice of Parallel Programming</i>. Association for Computing
    Machinery, 2023. <a href="https://doi.org/10.1145/3572848.3577512">https://doi.org/10.1145/3572848.3577512</a>.
  ieee: V. Aksenov, T. A. Brown, A. Fedorov, and I. Kokorin, <i>Unexpected scaling
    in path copying trees</i>. Association for Computing Machinery, 2023, pp. 438–440.
  ista: Aksenov V, Brown TA, Fedorov A, Kokorin I. 2023. Unexpected scaling in path
    copying trees, Association for Computing Machinery,p.
  mla: Aksenov, Vitaly, et al. “Unexpected Scaling in Path Copying Trees.” <i>Proceedings
    of the ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming</i>,
    Association for Computing Machinery, 2023, pp. 438–40, doi:<a href="https://doi.org/10.1145/3572848.3577512">10.1145/3572848.3577512</a>.
  short: V. Aksenov, T.A. Brown, A. Fedorov, I. Kokorin, Unexpected Scaling in Path
    Copying Trees, Association for Computing Machinery, 2023.
conference:
  end_date: 2023-03-01
  location: Montreal, QB, Canada
  name: 'PPoPP: Sympopsium on Principles and Practice of Parallel Programming'
  start_date: 2023-02-25
date_created: 2023-03-19T23:00:58Z
date_published: 2023-02-25T00:00:00Z
date_updated: 2023-03-20T07:57:27Z
day: '25'
department:
- _id: DaAl
- _id: GradSch
doi: 10.1145/3572848.3577512
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1145/3572848.3577512
month: '02'
oa: 1
oa_version: Published Version
page: 438-440
publication: Proceedings of the ACM SIGPLAN Symposium on Principles and Practice of
  Parallel Programming
publication_identifier:
  isbn:
  - '9798400700156'
publication_status: published
publisher: Association for Computing Machinery
quality_controlled: '1'
status: public
title: Unexpected scaling in path copying trees
type: conference_poster
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2023'
...
---
_id: '12737'
abstract:
- lang: eng
  text: The substitution of heavier, more metallic atoms into classical organic ligand
    frameworks provides an important strategy for tuning ligand properties, such as
    ligand bite and donor character, and is the basis for the emerging area of main-group
    supramolecular chemistry. In this paper, we explore two new ligands [E(2-Me-8-qy)3]
    [E = Sb (1), Bi (2); qy = quinolyl], allowing a fundamental comparison of their
    coordination behavior with classical tris(2-pyridyl) ligands of the type [E′(2-py)3]
    (E = a range of bridgehead atoms and groups, py = pyridyl). A range of new coordination
    modes to Cu+, Ag+, and Au+ is seen for 1 and 2, in the absence of steric constraints
    at the bridgehead and with their more remote N-donor atoms. A particular feature
    is the adaptive nature of these new ligands, with the ability to adjust coordination
    mode in response to the hard–soft character of coordinated metal ions, influenced
    also by the character of the bridgehead atom (Sb or Bi). These features can be
    seen in a comparison between [Cu2{Sb(2-Me-8-qy)3}2](PF6)2 (1·CuPF6) and [Cu{Bi(2-Me-8-qy)3}](PF6)
    (2·CuPF6), the first containing a dimeric cation in which 1 adopts an unprecedented
    intramolecular N,N,Sb-coordination mode while in the second, 2 adopts an unusual
    N,N,(π-)C coordination mode. In contrast, the previously reported analogous ligands
    [E(6-Me-2-py)3] (E = Sb, Bi; 2-py = 2-pyridyl) show a tris-chelating mode in their
    complexes with CuPF6, which is typical for the extensive tris(2-pyridyl) family
    with a range of metals. The greater polarity of the Bi–C bond in 2 results in
    ligand transfer reactions with Au(I). Although this reactivity is not in itself
    unusual, the characterization of several products by single-crystal X-ray diffraction
    provides snapshots of the ligand transfer reaction involved, with one of the products
    (the bimetallic complex [(BiCl){ClAu2(2-Me-8-qy)3}] (8)) containing a Au2Bi core
    in which the shortest Au → Bi donor–acceptor bond to date is observed.
acknowledgement: The authors thank the Walters-Kundert Studentship of Selwyn College
  (scholarship for J.E.W.), the Leverhulme Trust (R.G.-R. and D.S.W., grant RPG-2017-146),
  the Australian Research Council (A.L.C., DE200100450), the Spanish Ministry of Science
  and Innovation (MCI) and the Spanish Ministry of Science, Innovation and Universities
  (MCIU) (R.G.-R., PID2021-124691NB-I00, funded by MCIN/AEI/10.13039/501100011033/FEDER,
  UE and PGC2018-096880-A-I00, MCIU/AEI/FEDER), The University of Valladolid and Santander
  Bank (Fellowship for A.G.-R.), and the U.K. EPSRC and The Royal Dutch Shell plc.
  (I-Case award for R.B.J., EP/R511870/1) for financial support. Calculations were
  carried out on an in-house Odyssey HPC cluster (Cambridge), and the authors are
  grateful for the calculation time used.
article_processing_charge: No
article_type: original
author:
- first_name: Álvaro
  full_name: García-Romero, Álvaro
  last_name: García-Romero
- first_name: Jessica E.
  full_name: Waters, Jessica E.
  last_name: Waters
- first_name: Rajesh B
  full_name: Jethwa, Rajesh B
  id: 4cc538d5-803f-11ed-ab7e-8139573aad8f
  last_name: Jethwa
  orcid: 0000-0002-0404-4356
- first_name: Andrew D.
  full_name: Bond, Andrew D.
  last_name: Bond
- first_name: Annie L.
  full_name: Colebatch, Annie L.
  last_name: Colebatch
- first_name: Raúl
  full_name: García-Rodríguez, Raúl
  last_name: García-Rodríguez
- first_name: Dominic S.
  full_name: Wright, Dominic S.
  last_name: Wright
citation:
  ama: García-Romero Á, Waters JE, Jethwa RB, et al. Highly adaptive nature of group
    15 tris(quinolyl) ligands─studies with coinage metals. <i>Inorganic Chemistry</i>.
    2023;62(11):4625-4636. doi:<a href="https://doi.org/10.1021/acs.inorgchem.3c00057">10.1021/acs.inorgchem.3c00057</a>
  apa: García-Romero, Á., Waters, J. E., Jethwa, R. B., Bond, A. D., Colebatch, A.
    L., García-Rodríguez, R., &#38; Wright, D. S. (2023). Highly adaptive nature of
    group 15 tris(quinolyl) ligands─studies with coinage metals. <i>Inorganic Chemistry</i>.
    American Chemical Society. <a href="https://doi.org/10.1021/acs.inorgchem.3c00057">https://doi.org/10.1021/acs.inorgchem.3c00057</a>
  chicago: García-Romero, Álvaro, Jessica E. Waters, Rajesh B Jethwa, Andrew D. Bond,
    Annie L. Colebatch, Raúl García-Rodríguez, and Dominic S. Wright. “Highly Adaptive
    Nature of Group 15 Tris(Quinolyl) Ligands─studies with Coinage Metals.” <i>Inorganic
    Chemistry</i>. American Chemical Society, 2023. <a href="https://doi.org/10.1021/acs.inorgchem.3c00057">https://doi.org/10.1021/acs.inorgchem.3c00057</a>.
  ieee: Á. García-Romero <i>et al.</i>, “Highly adaptive nature of group 15 tris(quinolyl)
    ligands─studies with coinage metals,” <i>Inorganic Chemistry</i>, vol. 62, no.
    11. American Chemical Society, pp. 4625–4636, 2023.
  ista: García-Romero Á, Waters JE, Jethwa RB, Bond AD, Colebatch AL, García-Rodríguez
    R, Wright DS. 2023. Highly adaptive nature of group 15 tris(quinolyl) ligands─studies
    with coinage metals. Inorganic Chemistry. 62(11), 4625–4636.
  mla: García-Romero, Álvaro, et al. “Highly Adaptive Nature of Group 15 Tris(Quinolyl)
    Ligands─studies with Coinage Metals.” <i>Inorganic Chemistry</i>, vol. 62, no.
    11, American Chemical Society, 2023, pp. 4625–36, doi:<a href="https://doi.org/10.1021/acs.inorgchem.3c00057">10.1021/acs.inorgchem.3c00057</a>.
  short: Á. García-Romero, J.E. Waters, R.B. Jethwa, A.D. Bond, A.L. Colebatch, R.
    García-Rodríguez, D.S. Wright, Inorganic Chemistry 62 (2023) 4625–4636.
date_created: 2023-03-19T23:00:59Z
date_published: 2023-03-08T00:00:00Z
date_updated: 2023-08-01T13:42:59Z
day: '08'
department:
- _id: StFr
doi: 10.1021/acs.inorgchem.3c00057
external_id:
  isi:
  - '000956110300001'
  pmid:
  - '36883367'
intvolume: '        62'
isi: 1
issue: '11'
language:
- iso: eng
month: '03'
oa_version: None
page: 4625-4636
pmid: 1
publication: Inorganic Chemistry
publication_identifier:
  eissn:
  - 1520-510X
  issn:
  - 0020-1669
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Highly adaptive nature of group 15 tris(quinolyl) ligands─studies with coinage
  metals
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 62
year: '2023'
...
---
_id: '12738'
abstract:
- lang: eng
  text: We study turn-based stochastic zero-sum games with lexicographic preferences
    over objectives. Stochastic games are standard models in control, verification,
    and synthesis of stochastic reactive systems that exhibit both randomness as well
    as controllable and adversarial non-determinism. Lexicographic order allows one
    to consider multiple objectives with a strict preference order. To the best of
    our knowledge, stochastic games with lexicographic objectives have not been studied
    before. For a mixture of reachability and safety objectives, we show that deterministic
    lexicographically optimal strategies exist and memory is only required to remember
    the already satisfied and violated objectives. For a constant number of objectives,
    we show that the relevant decision problem is in NP∩coNP, matching the current
    known bound for single objectives; and in general the decision problem is PSPACE-hard
    and can be solved in NEXPTIME∩coNEXPTIME. We present an algorithm that computes
    the lexicographically optimal strategies via a reduction to the computation of
    optimal strategies in a sequence of single-objectives games. For omega-regular
    objectives, we restrict our analysis to one-player games, also known as Markov
    decision processes. We show that lexicographically optimal strategies exist and
    need either randomization or finite memory. We present an algorithm that solves
    the relevant decision problem in polynomial time. We have implemented our algorithms
    and report experimental results on various case studies.
acknowledgement: Tobias Winkler and Joost-Pieter Katoen are supported by the DFG RTG
  2236 UnRAVeL and the innovation programme under the Marie Skłodowska-Curie grant
  agreement No. 101008233 (Mission). Krishnendu Chatterjee is supported by the ERC
  CoG 863818 (ForM-SMArt) and the Vienna Science and Technology Fund (WWTF) Project
  ICT15-003. Maximilian Weininger is supported by the DFG projects 383882557 Statistical
  Unbounded Verification (SUV) and 427755713 Group-By Objectives in Probabilistic
  Verification (GOPro). Stefanie Mohr is supported by the DFG RTG 2428 CONVEY. Open
  Access funding enabled and organized by Projekt DEAL.
article_processing_charge: No
article_type: original
author:
- first_name: Krishnendu
  full_name: Chatterjee, Krishnendu
  id: 2E5DCA20-F248-11E8-B48F-1D18A9856A87
  last_name: Chatterjee
  orcid: 0000-0002-4561-241X
- first_name: Joost P
  full_name: Katoen, Joost P
  id: 4524F760-F248-11E8-B48F-1D18A9856A87
  last_name: Katoen
- first_name: Stefanie
  full_name: Mohr, Stefanie
  last_name: Mohr
- first_name: Maximilian
  full_name: Weininger, Maximilian
  last_name: Weininger
- first_name: Tobias
  full_name: Winkler, Tobias
  last_name: Winkler
citation:
  ama: Chatterjee K, Katoen JP, Mohr S, Weininger M, Winkler T. Stochastic games with
    lexicographic objectives. <i>Formal Methods in System Design</i>. 2023. doi:<a
    href="https://doi.org/10.1007/s10703-023-00411-4">10.1007/s10703-023-00411-4</a>
  apa: Chatterjee, K., Katoen, J. P., Mohr, S., Weininger, M., &#38; Winkler, T. (2023).
    Stochastic games with lexicographic objectives. <i>Formal Methods in System Design</i>.
    Springer Nature. <a href="https://doi.org/10.1007/s10703-023-00411-4">https://doi.org/10.1007/s10703-023-00411-4</a>
  chicago: Chatterjee, Krishnendu, Joost P Katoen, Stefanie Mohr, Maximilian Weininger,
    and Tobias Winkler. “Stochastic Games with Lexicographic Objectives.” <i>Formal
    Methods in System Design</i>. Springer Nature, 2023. <a href="https://doi.org/10.1007/s10703-023-00411-4">https://doi.org/10.1007/s10703-023-00411-4</a>.
  ieee: K. Chatterjee, J. P. Katoen, S. Mohr, M. Weininger, and T. Winkler, “Stochastic
    games with lexicographic objectives,” <i>Formal Methods in System Design</i>.
    Springer Nature, 2023.
  ista: Chatterjee K, Katoen JP, Mohr S, Weininger M, Winkler T. 2023. Stochastic
    games with lexicographic objectives. Formal Methods in System Design.
  mla: Chatterjee, Krishnendu, et al. “Stochastic Games with Lexicographic Objectives.”
    <i>Formal Methods in System Design</i>, Springer Nature, 2023, doi:<a href="https://doi.org/10.1007/s10703-023-00411-4">10.1007/s10703-023-00411-4</a>.
  short: K. Chatterjee, J.P. Katoen, S. Mohr, M. Weininger, T. Winkler, Formal Methods
    in System Design (2023).
date_created: 2023-03-19T23:00:59Z
date_published: 2023-03-08T00:00:00Z
date_updated: 2025-07-14T09:10:14Z
day: '08'
ddc:
- '000'
department:
- _id: KrCh
doi: 10.1007/s10703-023-00411-4
ec_funded: 1
external_id:
  isi:
  - '000946174300001'
isi: 1
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1007/s10703-023-00411-4
month: '03'
oa: 1
oa_version: Published Version
project:
- _id: 0599E47C-7A3F-11EA-A408-12923DDC885E
  call_identifier: H2020
  grant_number: '863818'
  name: 'Formal Methods for Stochastic Models: Algorithms and Applications'
- _id: 25892FC0-B435-11E9-9278-68D0E5697425
  grant_number: ICT15-003
  name: Efficient Algorithms for Computer Aided Verification
publication: Formal Methods in System Design
publication_identifier:
  eissn:
  - 1572-8102
publication_status: epub_ahead
publisher: Springer Nature
quality_controlled: '1'
related_material:
  record:
  - id: '8272'
    relation: earlier_version
    status: public
scopus_import: '1'
status: public
title: Stochastic games with lexicographic objectives
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
year: '2023'
...
---
_id: '12756'
abstract:
- lang: eng
  text: ESCRT-III family proteins form composite polymers that deform and cut membrane
    tubes in the context of a wide range of cell biological processes across the tree
    of life. In reconstituted systems, sequential changes in the composition of ESCRT-III
    polymers induced by the AAA–adenosine triphosphatase Vps4 have been shown to remodel
    membranes. However, it is not known how composite ESCRT-III polymers are organized
    and remodeled in space and time in a cellular context. Taking advantage of the
    relative simplicity of the ESCRT-III–dependent division system in Sulfolobus acidocaldarius,
    one of the closest experimentally tractable prokaryotic relatives of eukaryotes,
    we use super-resolution microscopy, electron microscopy, and computational modeling
    to show how CdvB/CdvB1/CdvB2 proteins form a precisely patterned composite ESCRT-III
    division ring, which undergoes stepwise Vps4-dependent disassembly and contracts
    to cut cells into two. These observations lead us to suggest sequential changes
    in a patterned composite polymer as a general mechanism of ESCRT-III–dependent
    membrane remodeling.
acknowledgement: "We thank Y. Liu and V. Hale for help with electron cryotomography;
  the Medical Research Council (MRC) LMB Electron Microscopy Facility for access,
  training, and support; and T. Darling and J. Grimmett at the MRC LMB for help with
  computing infrastructure. We also thank the Flow Cytometry Facility and the MRC
  LMB for training and support.\r\n F.H. and G.T.-R. were supported by a grant from
  the Wellcome Trust (203276/Z/16/Z). A.C. was supported by an EMBO long-term fellowship:
  ALTF_1041-2021. J.T. was supported by a grant from the VW Foundation (94933). A.A.P.
  was supported by the Wellcome Trust (203276/Z/16/Z) and the HFSP (LT001027/2019).
  B.B. received support from the MRC LMB, the Wellcome Trust (203276/Z/16/Z), the
  VW Foundation (94933), the Life Sciences–Moore-Simons Foundation (735929LPI), and
  a Gordon and Betty Moore Foundation’s Symbiosis in Aquatic Systems Initiative (9346).
  A.Š. and X.J. acknowledge funding from the European Research Council (ERC) under
  the European Union’s Horizon 2020 research and innovation programme (grant no. 802960).
  L.H.-K. acknowledges support from Biotechnology and Biological Sciences Research
  Council LIDo Programme. T.N. and J.L. were supported by the MRC (U105184326) and
  the Wellcome Trust (203276/Z/16/Z)."
article_number: eade5224
article_processing_charge: No
article_type: original
author:
- first_name: Fredrik
  full_name: Hurtig, Fredrik
  last_name: Hurtig
- first_name: Thomas C.Q.
  full_name: Burgers, Thomas C.Q.
  last_name: Burgers
- first_name: Alice
  full_name: Cezanne, Alice
  last_name: Cezanne
- first_name: Xiuyun
  full_name: Jiang, Xiuyun
  last_name: Jiang
- first_name: Frank N.
  full_name: Mol, Frank N.
  last_name: Mol
- first_name: Jovan
  full_name: Traparić, Jovan
  last_name: Traparić
- first_name: Andre Arashiro
  full_name: Pulschen, Andre Arashiro
  last_name: Pulschen
- first_name: Tim
  full_name: Nierhaus, Tim
  last_name: Nierhaus
- first_name: Gabriel
  full_name: Tarrason-Risa, Gabriel
  last_name: Tarrason-Risa
- first_name: Lena
  full_name: Harker-Kirschneck, Lena
  last_name: Harker-Kirschneck
- first_name: Jan
  full_name: Löwe, Jan
  last_name: Löwe
- first_name: Anđela
  full_name: Šarić, Anđela
  id: bf63d406-f056-11eb-b41d-f263a6566d8b
  last_name: Šarić
  orcid: 0000-0002-7854-2139
- first_name: Rifka
  full_name: Vlijm, Rifka
  last_name: Vlijm
- first_name: Buzz
  full_name: Baum, Buzz
  last_name: Baum
citation:
  ama: Hurtig F, Burgers TCQ, Cezanne A, et al. The patterned assembly and stepwise
    Vps4-mediated disassembly of composite ESCRT-III polymers drives archaeal cell
    division. <i>Science Advances</i>. 2023;9(11). doi:<a href="https://doi.org/10.1126/sciadv.ade5224">10.1126/sciadv.ade5224</a>
  apa: Hurtig, F., Burgers, T. C. Q., Cezanne, A., Jiang, X., Mol, F. N., Traparić,
    J., … Baum, B. (2023). The patterned assembly and stepwise Vps4-mediated disassembly
    of composite ESCRT-III polymers drives archaeal cell division. <i>Science Advances</i>.
    American Association for the Advancement of Science. <a href="https://doi.org/10.1126/sciadv.ade5224">https://doi.org/10.1126/sciadv.ade5224</a>
  chicago: Hurtig, Fredrik, Thomas C.Q. Burgers, Alice Cezanne, Xiuyun Jiang, Frank
    N. Mol, Jovan Traparić, Andre Arashiro Pulschen, et al. “The Patterned Assembly
    and Stepwise Vps4-Mediated Disassembly of Composite ESCRT-III Polymers Drives
    Archaeal Cell Division.” <i>Science Advances</i>. American Association for the
    Advancement of Science, 2023. <a href="https://doi.org/10.1126/sciadv.ade5224">https://doi.org/10.1126/sciadv.ade5224</a>.
  ieee: F. Hurtig <i>et al.</i>, “The patterned assembly and stepwise Vps4-mediated
    disassembly of composite ESCRT-III polymers drives archaeal cell division,” <i>Science
    Advances</i>, vol. 9, no. 11. American Association for the Advancement of Science,
    2023.
  ista: Hurtig F, Burgers TCQ, Cezanne A, Jiang X, Mol FN, Traparić J, Pulschen AA,
    Nierhaus T, Tarrason-Risa G, Harker-Kirschneck L, Löwe J, Šarić A, Vlijm R, Baum
    B. 2023. The patterned assembly and stepwise Vps4-mediated disassembly of composite
    ESCRT-III polymers drives archaeal cell division. Science Advances. 9(11), eade5224.
  mla: Hurtig, Fredrik, et al. “The Patterned Assembly and Stepwise Vps4-Mediated
    Disassembly of Composite ESCRT-III Polymers Drives Archaeal Cell Division.” <i>Science
    Advances</i>, vol. 9, no. 11, eade5224, American Association for the Advancement
    of Science, 2023, doi:<a href="https://doi.org/10.1126/sciadv.ade5224">10.1126/sciadv.ade5224</a>.
  short: F. Hurtig, T.C.Q. Burgers, A. Cezanne, X. Jiang, F.N. Mol, J. Traparić, A.A.
    Pulschen, T. Nierhaus, G. Tarrason-Risa, L. Harker-Kirschneck, J. Löwe, A. Šarić,
    R. Vlijm, B. Baum, Science Advances 9 (2023).
date_created: 2023-03-26T22:01:06Z
date_published: 2023-03-17T00:00:00Z
date_updated: 2023-08-01T13:45:54Z
day: '17'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1126/sciadv.ade5224
ec_funded: 1
external_id:
  isi:
  - '000968083500010'
file:
- access_level: open_access
  checksum: 6d7dbe9ed86a116c8a002d62971202c5
  content_type: application/pdf
  creator: dernst
  date_created: 2023-03-27T06:24:49Z
  date_updated: 2023-03-27T06:24:49Z
  file_id: '12768'
  file_name: 2023_ScienceAdvances_Hurtig.pdf
  file_size: 1826471
  relation: main_file
  success: 1
file_date_updated: 2023-03-27T06:24:49Z
has_accepted_license: '1'
intvolume: '         9'
isi: 1
issue: '11'
language:
- iso: eng
month: '03'
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: Science Advances
publication_identifier:
  eissn:
  - 2375-2548
publication_status: published
publisher: American Association for the Advancement of Science
quality_controlled: '1'
scopus_import: '1'
status: public
title: The patterned assembly and stepwise Vps4-mediated disassembly of composite
  ESCRT-III polymers drives archaeal cell division
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: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 9
year: '2023'
...
---
_id: '12757'
abstract:
- lang: eng
  text: My group and myself have studied respiratory complex I for almost 30 years,
    starting in 1994 when it was known as a L-shaped giant ‘black box' of bioenergetics.
    First breakthrough was the X-ray structure of the peripheral arm, followed by
    structures of the membrane arm and finally the entire complex from Thermus thermophilus.
    The developments in cryo-EM technology allowed us to solve the first complete
    structure of the twice larger, ∼1 MDa mammalian enzyme in 2016. However, the mechanism
    coupling, over large distances, the transfer of two electrons to pumping of four
    protons across the membrane remained an enigma. Recently we have solved high-resolution
    structures of mammalian and bacterial complex I under a range of redox conditions,
    including catalytic turnover. This allowed us to propose a robust and universal
    mechanism for complex I and related protein families. Redox reactions initially
    drive conformational changes around the quinone cavity and a long-distance transfer
    of substrate protons. These set up a stage for a series of electrostatically driven
    proton transfers along the membrane arm (‘domino effect'), eventually resulting
    in proton expulsion from the distal antiporter-like subunit. The mechanism radically
    differs from previous suggestions, however, it naturally explains all the unusual
    structural features of complex I. In this review I discuss the state of knowledge
    on complex I, including the current most controversial issues.
article_processing_charge: No
article_type: review
author:
- first_name: Leonid A
  full_name: Sazanov, Leonid A
  id: 338D39FE-F248-11E8-B48F-1D18A9856A87
  last_name: Sazanov
  orcid: 0000-0002-0977-7989
citation:
  ama: 'Sazanov LA. From the “black box” to “domino effect” mechanism: What have we
    learned from the structures of respiratory complex I. <i>The Biochemical Journal</i>.
    2023;480(5):319-333. doi:<a href="https://doi.org/10.1042/BCJ20210285">10.1042/BCJ20210285</a>'
  apa: 'Sazanov, L. A. (2023). From the “black box” to “domino effect” mechanism:
    What have we learned from the structures of respiratory complex I. <i>The Biochemical
    Journal</i>. Portland Press. <a href="https://doi.org/10.1042/BCJ20210285">https://doi.org/10.1042/BCJ20210285</a>'
  chicago: 'Sazanov, Leonid A. “From the ‘black Box’ to ‘Domino Effect’ Mechanism:
    What Have We Learned from the Structures of Respiratory Complex I.” <i>The Biochemical
    Journal</i>. Portland Press, 2023. <a href="https://doi.org/10.1042/BCJ20210285">https://doi.org/10.1042/BCJ20210285</a>.'
  ieee: 'L. A. Sazanov, “From the ‘black box’ to ‘domino effect’ mechanism: What have
    we learned from the structures of respiratory complex I,” <i>The Biochemical Journal</i>,
    vol. 480, no. 5. Portland Press, pp. 319–333, 2023.'
  ista: 'Sazanov LA. 2023. From the ‘black box’ to ‘domino effect’ mechanism: What
    have we learned from the structures of respiratory complex I. The Biochemical
    Journal. 480(5), 319–333.'
  mla: 'Sazanov, Leonid A. “From the ‘black Box’ to ‘Domino Effect’ Mechanism: What
    Have We Learned from the Structures of Respiratory Complex I.” <i>The Biochemical
    Journal</i>, vol. 480, no. 5, Portland Press, 2023, pp. 319–33, doi:<a href="https://doi.org/10.1042/BCJ20210285">10.1042/BCJ20210285</a>.'
  short: L.A. Sazanov, The Biochemical Journal 480 (2023) 319–333.
date_created: 2023-03-26T22:01:06Z
date_published: 2023-03-15T00:00:00Z
date_updated: 2023-08-01T13:45:12Z
day: '15'
ddc:
- '570'
department:
- _id: LeSa
doi: 10.1042/BCJ20210285
external_id:
  isi:
  - '000957065700001'
  pmid:
  - '36920092'
has_accepted_license: '1'
intvolume: '       480'
isi: 1
issue: '5'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1042/BCJ20210285
month: '03'
oa: 1
oa_version: Published Version
page: 319-333
pmid: 1
publication: The Biochemical Journal
publication_identifier:
  eissn:
  - 1470-8728
  issn:
  - 0264-6021
publication_status: published
publisher: Portland Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'From the ''black box'' to ''domino effect'' mechanism: What have we learned
  from the structures of respiratory complex I'
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: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 480
year: '2023'
...
---
_id: '12758'
abstract:
- lang: eng
  text: AlphaFold changed the field of structural biology by achieving three-dimensional
    (3D) structure prediction from protein sequence at experimental quality. The astounding
    success even led to claims that the protein folding problem is “solved”. However,
    protein folding problem is more than just structure prediction from sequence.
    Presently, it is unknown if the AlphaFold-triggered revolution could help to solve
    other problems related to protein folding. Here we assay the ability of AlphaFold
    to predict the impact of single mutations on protein stability (ΔΔG) and function.
    To study the question we extracted the pLDDT and <pLDDT> metrics from AlphaFold
    predictions before and after single mutation in a protein and correlated the predicted
    change with the experimentally known ΔΔG values. Additionally, we correlated the
    same AlphaFold pLDDT metrics with the impact of a single mutation on structure
    using a large scale dataset of single mutations in GFP with the experimentally
    assayed levels of fluorescence. We found a very weak or no correlation between
    AlphaFold output metrics and change of protein stability or fluorescence. Our
    results imply that AlphaFold may not be immediately applied to other problems
    or applications in protein folding.
acknowledgement: The authors acknowledge the use of Zhores supercomputer [28] for
  obtaining the results presented in this paper.The authors thank Zimin Foundation
  and Petrovax for support of the presented study at the School of Molecular and Theoretical
  Biology 2021.
article_number: e0282689
article_processing_charge: No
article_type: original
author:
- first_name: Marina A.
  full_name: Pak, Marina A.
  last_name: Pak
- first_name: Karina A.
  full_name: Markhieva, Karina A.
  last_name: Markhieva
- first_name: Mariia S.
  full_name: Novikova, Mariia S.
  last_name: Novikova
- first_name: Dmitry S.
  full_name: Petrov, Dmitry S.
  last_name: Petrov
- first_name: Ilya S.
  full_name: Vorobyev, Ilya S.
  last_name: Vorobyev
- first_name: Ekaterina
  full_name: Maksimova, Ekaterina
  id: 2FBE0DE4-F248-11E8-B48F-1D18A9856A87
  last_name: Maksimova
- first_name: Fyodor
  full_name: Kondrashov, Fyodor
  id: 44FDEF62-F248-11E8-B48F-1D18A9856A87
  last_name: Kondrashov
  orcid: 0000-0001-8243-4694
- first_name: Dmitry N.
  full_name: Ivankov, Dmitry N.
  last_name: Ivankov
citation:
  ama: Pak MA, Markhieva KA, Novikova MS, et al. Using AlphaFold to predict the impact
    of single mutations on protein stability and function. <i>PLoS ONE</i>. 2023;18(3).
    doi:<a href="https://doi.org/10.1371/journal.pone.0282689">10.1371/journal.pone.0282689</a>
  apa: Pak, M. A., Markhieva, K. A., Novikova, M. S., Petrov, D. S., Vorobyev, I.
    S., Maksimova, E., … Ivankov, D. N. (2023). Using AlphaFold to predict the impact
    of single mutations on protein stability and function. <i>PLoS ONE</i>. Public
    Library of Science. <a href="https://doi.org/10.1371/journal.pone.0282689">https://doi.org/10.1371/journal.pone.0282689</a>
  chicago: Pak, Marina A., Karina A. Markhieva, Mariia S. Novikova, Dmitry S. Petrov,
    Ilya S. Vorobyev, Ekaterina Maksimova, Fyodor Kondrashov, and Dmitry N. Ivankov.
    “Using AlphaFold to Predict the Impact of Single Mutations on Protein Stability
    and Function.” <i>PLoS ONE</i>. Public Library of Science, 2023. <a href="https://doi.org/10.1371/journal.pone.0282689">https://doi.org/10.1371/journal.pone.0282689</a>.
  ieee: M. A. Pak <i>et al.</i>, “Using AlphaFold to predict the impact of single
    mutations on protein stability and function,” <i>PLoS ONE</i>, vol. 18, no. 3.
    Public Library of Science, 2023.
  ista: Pak MA, Markhieva KA, Novikova MS, Petrov DS, Vorobyev IS, Maksimova E, Kondrashov
    F, Ivankov DN. 2023. Using AlphaFold to predict the impact of single mutations
    on protein stability and function. PLoS ONE. 18(3), e0282689.
  mla: Pak, Marina A., et al. “Using AlphaFold to Predict the Impact of Single Mutations
    on Protein Stability and Function.” <i>PLoS ONE</i>, vol. 18, no. 3, e0282689,
    Public Library of Science, 2023, doi:<a href="https://doi.org/10.1371/journal.pone.0282689">10.1371/journal.pone.0282689</a>.
  short: M.A. Pak, K.A. Markhieva, M.S. Novikova, D.S. Petrov, I.S. Vorobyev, E. Maksimova,
    F. Kondrashov, D.N. Ivankov, PLoS ONE 18 (2023).
date_created: 2023-03-26T22:01:07Z
date_published: 2023-03-16T00:00:00Z
date_updated: 2023-08-01T13:47:14Z
day: '16'
ddc:
- '570'
department:
- _id: FyKo
- _id: MaRo
doi: 10.1371/journal.pone.0282689
external_id:
  isi:
  - '000985134400106'
file:
- access_level: open_access
  checksum: 0281bdfccf8d76c4e08dd011c603f6b6
  content_type: application/pdf
  creator: dernst
  date_created: 2023-03-27T07:09:08Z
  date_updated: 2023-03-27T07:09:08Z
  file_id: '12771'
  file_name: 2023_PLoSOne_Pak.pdf
  file_size: 856625
  relation: main_file
  success: 1
file_date_updated: 2023-03-27T07:09:08Z
has_accepted_license: '1'
intvolume: '        18'
isi: 1
issue: '3'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
publication: PLoS ONE
publication_identifier:
  eissn:
  - 1932-6203
publication_status: published
publisher: Public Library of Science
quality_controlled: '1'
scopus_import: '1'
status: public
title: Using AlphaFold to predict the impact of single mutations on protein stability
  and function
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: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 18
year: '2023'
...
---
_id: '12759'
abstract:
- lang: eng
  text: Stereological methods for estimating the 3D particle size and density from
    2D projections are essential to many research fields. These methods are, however,
    prone to errors arising from undetected particle profiles due to sectioning and
    limited resolution, known as ‘lost caps’. A potential solution developed by Keiding,
    Jensen, and Ranek in 1972, which we refer to as the Keiding model, accounts for
    lost caps by quantifying the smallest detectable profile in terms of its limiting
    ‘cap angle’ (ϕ), a size-independent measure of a particle’s distance from the
    section surface. However, this simple solution has not been widely adopted nor
    tested. Rather, model-independent design-based stereological methods, which do
    not explicitly account for lost caps, have come to the fore. Here, we provide
    the first experimental validation of the Keiding model by comparing the size and
    density of particles estimated from 2D projections with direct measurement from
    3D EM reconstructions of the same tissue. We applied the Keiding model to estimate
    the size and density of somata, nuclei and vesicles in the cerebellum of mice
    and rats, where high packing density can be problematic for design-based methods.
    Our analysis reveals a Gaussian distribution for ϕ rather than a single value.
    Nevertheless, curve fits of the Keiding model to the 2D diameter distribution
    accurately estimate the mean ϕ and 3D diameter distribution. While systematic
    testing using simulations revealed an upper limit to determining ϕ, our analysis
    shows that estimated ϕ can be used to determine the 3D particle density from the
    2D density under a wide range of conditions, and this method is potentially more
    accurate than minimum-size-based lost-cap corrections and disector methods. Our
    results show the Keiding model provides an efficient means of accurately estimating
    the size and density of particles from 2D projections even under conditions of
    a high density.
acknowledged_ssus:
- _id: EM-Fac
acknowledgement: "We thank the IST Austria Electron Microscopy Facility for technical
  support, and Diccon Coyle, Andrea Lőrincz and Zoltan Nusser for their helpful comments
  and discussions.\r\nFunding for JSR and RAS was from the Wellcome Trust (203048;
  224499; https://\r\nwellcome.org/). RAS is in receipt of a Wellcome Trust Principal
  Research Fellowship (224499).\r\nFunding for CBM and PJ was from Fond zur Förderung
  der Wissenschaftlichen Forschung (V\r\n739-B27 Elise-Richter Programme to CBM, Z
  312-B27 Wittgenstein Award to PJ; \r\nhttps://www.fwf.ac.at). PJ received funding
  from the European Research Council (ERC; https://erc.europa.eu) under the European
  Union’s Horizon 2020 research and innovation programme (grant agreement no. 692692).
  NH was supported by a European\r\nResearch Council Advanced Grant (ERC-AG787157)."
article_number: e0277148
article_processing_charge: No
article_type: original
author:
- first_name: Jason Seth
  full_name: Rothman, Jason Seth
  last_name: Rothman
- first_name: Carolina
  full_name: Borges Merjane, Carolina
  id: 4305C450-F248-11E8-B48F-1D18A9856A87
  last_name: Borges Merjane
  orcid: 0000-0003-0005-401X
- first_name: Noemi
  full_name: Holderith, Noemi
  last_name: Holderith
- first_name: Peter M
  full_name: Jonas, Peter M
  id: 353C1B58-F248-11E8-B48F-1D18A9856A87
  last_name: Jonas
  orcid: 0000-0001-5001-4804
- first_name: R.
  full_name: Angus Silver, R.
  last_name: Angus Silver
citation:
  ama: Rothman JS, Borges Merjane C, Holderith N, Jonas PM, Angus Silver R. Validation
    of a stereological method for estimating particle size and density from 2D projections
    with high accuracy. <i>PLoS ONE</i>. 2023;18(3 March). doi:<a href="https://doi.org/10.1371/journal.pone.0277148">10.1371/journal.pone.0277148</a>
  apa: Rothman, J. S., Borges Merjane, C., Holderith, N., Jonas, P. M., &#38; Angus
    Silver, R. (2023). Validation of a stereological method for estimating particle
    size and density from 2D projections with high accuracy. <i>PLoS ONE</i>. Public
    Library of Science. <a href="https://doi.org/10.1371/journal.pone.0277148">https://doi.org/10.1371/journal.pone.0277148</a>
  chicago: Rothman, Jason Seth, Carolina Borges Merjane, Noemi Holderith, Peter M
    Jonas, and R. Angus Silver. “Validation of a Stereological Method for Estimating
    Particle Size and Density from 2D Projections with High Accuracy.” <i>PLoS ONE</i>.
    Public Library of Science, 2023. <a href="https://doi.org/10.1371/journal.pone.0277148">https://doi.org/10.1371/journal.pone.0277148</a>.
  ieee: J. S. Rothman, C. Borges Merjane, N. Holderith, P. M. Jonas, and R. Angus
    Silver, “Validation of a stereological method for estimating particle size and
    density from 2D projections with high accuracy,” <i>PLoS ONE</i>, vol. 18, no.
    3 March. Public Library of Science, 2023.
  ista: Rothman JS, Borges Merjane C, Holderith N, Jonas PM, Angus Silver R. 2023.
    Validation of a stereological method for estimating particle size and density
    from 2D projections with high accuracy. PLoS ONE. 18(3 March), e0277148.
  mla: Rothman, Jason Seth, et al. “Validation of a Stereological Method for Estimating
    Particle Size and Density from 2D Projections with High Accuracy.” <i>PLoS ONE</i>,
    vol. 18, no. 3 March, e0277148, Public Library of Science, 2023, doi:<a href="https://doi.org/10.1371/journal.pone.0277148">10.1371/journal.pone.0277148</a>.
  short: J.S. Rothman, C. Borges Merjane, N. Holderith, P.M. Jonas, R. Angus Silver,
    PLoS ONE 18 (2023).
date_created: 2023-03-26T22:01:07Z
date_published: 2023-03-17T00:00:00Z
date_updated: 2023-08-01T13:46:39Z
day: '17'
ddc:
- '570'
department:
- _id: PeJo
doi: 10.1371/journal.pone.0277148
ec_funded: 1
external_id:
  isi:
  - '001024737400001'
file:
- access_level: open_access
  checksum: 2380331ec27cc87808826fc64419ac1c
  content_type: application/pdf
  creator: dernst
  date_created: 2023-03-27T06:51:09Z
  date_updated: 2023-03-27T06:51:09Z
  file_id: '12770'
  file_name: 2023_PLoSOne_Rothman.pdf
  file_size: 7290413
  relation: main_file
  success: 1
file_date_updated: 2023-03-27T06:51:09Z
has_accepted_license: '1'
intvolume: '        18'
isi: 1
issue: 3 March
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
project:
- _id: 25B7EB9E-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '692692'
  name: Biophysics and circuit function of a giant cortical glumatergic synapse
- _id: 25C5A090-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: Z00312
  name: The Wittgenstein Prize
- _id: 2696E7FE-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: V00739
  name: Structural plasticity at mossy fiber-CA3 synapses
publication: PLoS ONE
publication_identifier:
  eissn:
  - 1932-6203
publication_status: published
publisher: Public Library of Science
quality_controlled: '1'
scopus_import: '1'
status: public
title: Validation of a stereological method for estimating particle size and density
  from 2D projections with high accuracy
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: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 18
year: '2023'
...
