---
OA_place: publisher
_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.
corr_author: '1'
date_created: 2023-03-15T13:22:13Z
date_published: 2023-03-23T00:00:00Z
date_updated: 2026-04-07T13:29:13Z
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
- access_level: closed
  checksum: 0eb7b650cc8ae843bcec7c8a6109ae03
  content_type: application/octet-stream
  creator: cchlebak
  date_created: 2023-03-23T12:54:34Z
  date_updated: 2023-09-24T22:30:03Z
  embargo_to: open_access
  file_id: '12746'
  file_name: Thesis_Riedl_2023_source.rar
  file_size: 339473651
  relation: source_file
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: '461'
    relation: part_of_dissertation
    status: public
  - id: '10791'
    relation: part_of_dissertation
    status: public
  - id: '7932'
    relation: part_of_dissertation
    status: public
  - id: '10703'
    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: ba8df636-2132-11f1-aed0-ed93e2281fdd
year: '2023'
...
---
OA_place: publisher
_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.
corr_author: '1'
date_created: 2023-03-17T13:30:48Z
date_published: 2023-03-21T00:00:00Z
date_updated: 2026-04-07T13:26:32Z
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
license: https://creativecommons.org/licenses/by-nc-sa/4.0/
month: '03'
oa: 1
oa_version: Published Version
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: '12750'
    relation: part_of_dissertation
    status: public
  - id: '11470'
    relation: part_of_dissertation
    status: public
  - id: '8308'
    relation: part_of_dissertation
    status: public
  - id: '11469'
    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: ba8df636-2132-11f1-aed0-ed93e2281fdd
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: 2026-06-18T17:29:03Z
day: '25'
ddc:
- '000'
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'
scopus_import: '1'
status: public
title: Unexpected scaling in path copying trees
type: conference_poster
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
year: '2023'
...
---
OA_place: repository
OA_type: green
_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: 2025-04-24T11:32:09Z
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
main_file_link:
- open_access: '1'
  url: https://uvadoc.uva.es/handle/10324/59798
month: '03'
oa: 1
oa_version: Submitted Version
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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 62
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).
corr_author: '1'
date_created: 2023-03-26T22:01:06Z
date_published: 2023-03-17T00:00:00Z
date_updated: 2025-04-23T08:50:02Z
day: '17'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1126/sciadv.ade5224
ec_funded: 1
external_id:
  isi:
  - '000968083500010'
  pmid:
  - '36921039'
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
pmid: 1
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
  call_identifier: H2020
  grant_number: '802960'
  name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
publication: 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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
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.
corr_author: '1'
date_created: 2023-03-26T22:01:06Z
date_published: 2023-03-15T00:00:00Z
date_updated: 2024-10-09T21:04:50Z
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: 2025-04-23T08:50:30Z
day: '16'
ddc:
- '570'
department:
- _id: FyKo
- _id: MaRo
doi: 10.1371/journal.pone.0282689
external_id:
  isi:
  - '000985134400106'
  pmid:
  - '36928239'
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
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: 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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
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: 2025-04-23T08:50:50Z
day: '17'
ddc:
- '570'
department:
- _id: PeJo
doi: 10.1371/journal.pone.0277148
ec_funded: 1
external_id:
  isi:
  - '001024737400001'
  pmid:
  - '36930689'
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
pmid: 1
project:
- _id: 25B7EB9E-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '692692'
  name: Biophysics and circuit function of a giant cortical glutamatergic synapse
- _id: 25C5A090-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: Z00312
  name: Synaptic communication in neuronal microcircuits
- _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: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 18
year: '2023'
...
---
_id: '12760'
abstract:
- lang: eng
  text: "Dynamic programming (DP) is one of the fundamental paradigms in algorithm
    design. However,\r\nmany DP algorithms have to fill in large DP tables, represented
    by two-dimensional arrays, which causes at least quadratic running times and space
    usages. This has led to the development of improved algorithms for special cases
    when the DPs satisfy additional properties like, e.g., the Monge property or total
    monotonicity.\r\nIn this paper, we consider a new condition which assumes (among
    some other technical assumptions) that the rows of the DP table are monotone.
    Under this assumption, we introduce\r\na novel data structure for computing (1
    + ϵ)-approximate DP solutions in near-linear time and\r\nspace in the static setting,
    and with polylogarithmic update times when the DP entries change\r\ndynamically.
    To the best of our knowledge, our new condition is incomparable to previous conditions
    and is the first which allows to derive dynamic algorithms based on existing DPs.
    Instead of using two-dimensional arrays to store the DP tables, we store the rows
    of the DP tables using monotone piecewise constant functions. This allows us to
    store length-n DP table rows with entries in [0, W] using only polylog(n, W) bits,
    and to perform operations, such as (min, +)-convolution or rounding, on these
    functions in polylogarithmic time.\r\nWe further present several applications
    of our data structure. For bicriteria versions of k-balanced graph partitioning
    and simultaneous source location, we obtain the first dynamic algorithms with
    subpolynomial update times, as well as the first static algorithms using only
    near-linear time and space. Additionally, we obtain the currently fastest algorithm
    for fully dynamic knapsack."
acknowledgement: "Monika Henzinger: This project has received funding from the European
  Research Council\r\n(ERC) under the European Union’s Horizon 2020 research and innovation
  programme (Grant\r\nagreement No. 101019564 “The Design of Modern Fully Dynamic
  Data Structures (MoDynStruct)” and from the Austrian Science Fund (FWF) project
  “Fast Algorithms for a Reactive Network Layer (ReactNet)”, P 33775-N, with additional
  funding from the netidee SCIENCE Stiftung, 2020–2024.\r\nStefan Neumann: This research
  is supported by the the ERC Advanced Grant REBOUND (834862) and the EC H2020 RIA
  project SoBigData++ (871042).\r\nStefan Schmid: Research supported by Austrian Science
  Fund (FWF) project I 5025-N (DELTA), 2020-2024."
alternative_title:
- LIPIcs
article_number: '36'
article_processing_charge: No
arxiv: 1
author:
- first_name: Monika H
  full_name: Henzinger, Monika H
  id: 540c9bbd-f2de-11ec-812d-d04a5be85630
  last_name: Henzinger
  orcid: 0000-0002-5008-6530
- first_name: Stefan
  full_name: Neumann, Stefan
  last_name: Neumann
- first_name: Harald
  full_name: Räcke, Harald
  last_name: Räcke
- first_name: Stefan
  full_name: Schmid, Stefan
  last_name: Schmid
citation:
  ama: 'Henzinger M, Neumann S, Räcke H, Schmid S. Dynamic maintenance of monotone
    dynamic programs and applications. In: <i>40th International Symposium on Theoretical
    Aspects of Computer Science</i>. Vol 254. Schloss Dagstuhl - Leibniz-Zentrum für
    Informatik; 2023. doi:<a href="https://doi.org/10.4230/LIPIcs.STACS.2023.36">10.4230/LIPIcs.STACS.2023.36</a>'
  apa: 'Henzinger, M., Neumann, S., Räcke, H., &#38; Schmid, S. (2023). Dynamic maintenance
    of monotone dynamic programs and applications. In <i>40th International Symposium
    on Theoretical Aspects of Computer Science</i> (Vol. 254). Hamburg, Germany: Schloss
    Dagstuhl - Leibniz-Zentrum für Informatik. <a href="https://doi.org/10.4230/LIPIcs.STACS.2023.36">https://doi.org/10.4230/LIPIcs.STACS.2023.36</a>'
  chicago: Henzinger, Monika, Stefan Neumann, Harald Räcke, and Stefan Schmid. “Dynamic
    Maintenance of Monotone Dynamic Programs and Applications.” In <i>40th International
    Symposium on Theoretical Aspects of Computer Science</i>, Vol. 254. Schloss Dagstuhl
    - Leibniz-Zentrum für Informatik, 2023. <a href="https://doi.org/10.4230/LIPIcs.STACS.2023.36">https://doi.org/10.4230/LIPIcs.STACS.2023.36</a>.
  ieee: M. Henzinger, S. Neumann, H. Räcke, and S. Schmid, “Dynamic maintenance of
    monotone dynamic programs and applications,” in <i>40th International Symposium
    on Theoretical Aspects of Computer Science</i>, Hamburg, Germany, 2023, vol. 254.
  ista: 'Henzinger M, Neumann S, Räcke H, Schmid S. 2023. Dynamic maintenance of monotone
    dynamic programs and applications. 40th International Symposium on Theoretical
    Aspects of Computer Science. STACS: Symposium on Theoretical Aspects of Computer
    Science, LIPIcs, vol. 254, 36.'
  mla: Henzinger, Monika, et al. “Dynamic Maintenance of Monotone Dynamic Programs
    and Applications.” <i>40th International Symposium on Theoretical Aspects of Computer
    Science</i>, vol. 254, 36, Schloss Dagstuhl - Leibniz-Zentrum für Informatik,
    2023, doi:<a href="https://doi.org/10.4230/LIPIcs.STACS.2023.36">10.4230/LIPIcs.STACS.2023.36</a>.
  short: M. Henzinger, S. Neumann, H. Räcke, S. Schmid, in:, 40th International Symposium
    on Theoretical Aspects of Computer Science, Schloss Dagstuhl - Leibniz-Zentrum
    für Informatik, 2023.
conference:
  end_date: 2023-03-09
  location: Hamburg, Germany
  name: 'STACS: Symposium on Theoretical Aspects of Computer Science'
  start_date: 2023-03-07
corr_author: '1'
date_created: 2023-03-26T22:01:07Z
date_published: 2023-03-01T00:00:00Z
date_updated: 2025-09-09T12:22:44Z
day: '01'
ddc:
- '000'
department:
- _id: MoHe
doi: 10.4230/LIPIcs.STACS.2023.36
ec_funded: 1
external_id:
  arxiv:
  - '2301.01744'
  isi:
  - '001532693100036'
file:
- access_level: open_access
  checksum: 22141ab8bc55188e2dfff665e5daecbd
  content_type: application/pdf
  creator: dernst
  date_created: 2023-03-27T06:37:22Z
  date_updated: 2023-03-27T06:37:22Z
  file_id: '12769'
  file_name: 2023_LIPICS_HenzingerM.pdf
  file_size: 872706
  relation: main_file
  success: 1
file_date_updated: 2023-03-27T06:37:22Z
has_accepted_license: '1'
intvolume: '       254'
isi: 1
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
project:
- _id: bd9ca328-d553-11ed-ba76-dc4f890cfe62
  call_identifier: H2020
  grant_number: '101019564'
  name: The design and evaluation of modern fully dynamic data structures
- _id: bd9e3a2e-d553-11ed-ba76-8aa684ce17fe
  grant_number: P33775
  name: Fast Algorithms for a Reactive Network Layer
publication: 40th International Symposium on Theoretical Aspects of Computer Science
publication_identifier:
  isbn:
  - '9783959772662'
  issn:
  - 1868-8969
publication_status: published
publisher: Schloss Dagstuhl - Leibniz-Zentrum für Informatik
quality_controlled: '1'
scopus_import: '1'
status: public
title: Dynamic maintenance of monotone dynamic programs and applications
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: conference
user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345
volume: 254
year: '2023'
...
---
_id: '12761'
abstract:
- lang: eng
  text: "We consider the fluctuations of regular functions f of a Wigner matrix W
    viewed as an entire matrix f (W). Going beyond the well-studied tracial mode,
    Trf (W), which is equivalent to the customary linear statistics of eigenvalues,
    we show that Trf (W)A is asymptotically normal for any nontrivial bounded deterministic
    matrix A. We identify three different and asymptotically independent modes of
    this fluctuation, corresponding to the tracial part, the traceless diagonal part
    and the off-diagonal part of f (W) in the entire mesoscopic regime, where we find
    that the off-diagonal modes fluctuate on a much smaller scale than the tracial
    mode. As a main motivation to study CLT in such generality on small mesoscopic
    scales, we determine\r\nthe fluctuations in the eigenstate thermalization hypothesis
    (Phys. Rev. A 43 (1991) 2046–2049), that is, prove that the eigenfunction overlaps
    with any deterministic matrix are asymptotically Gaussian after a small spectral
    averaging. Finally, in the macroscopic regime our result also generalizes (Zh.
    Mat. Fiz. Anal. Geom. 9 (2013) 536–581, 611, 615) to complex W and to all crossover
    ensembles in between. The main technical inputs are the recent\r\nmultiresolvent
    local laws with traceless deterministic matrices from the companion paper (Comm.
    Math. Phys. 388 (2021) 1005–1048)."
acknowledgement: The second author is partially funded by the ERC Advanced Grant “RMTBEYOND”
  No. 101020331. The third author is supported by Dr. Max Rössler, the Walter Haefner
  Foundation and the ETH Zürich Foundation.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Giorgio
  full_name: Cipolloni, Giorgio
  id: 42198EFA-F248-11E8-B48F-1D18A9856A87
  last_name: Cipolloni
  orcid: 0000-0002-4901-7992
- first_name: László
  full_name: Erdös, László
  id: 4DBD5372-F248-11E8-B48F-1D18A9856A87
  last_name: Erdös
  orcid: 0000-0001-5366-9603
- first_name: Dominik J
  full_name: Schröder, Dominik J
  id: 408ED176-F248-11E8-B48F-1D18A9856A87
  last_name: Schröder
  orcid: 0000-0002-2904-1856
citation:
  ama: Cipolloni G, Erdös L, Schröder DJ. Functional central limit theorems for Wigner
    matrices. <i>Annals of Applied Probability</i>. 2023;33(1):447-489. doi:<a href="https://doi.org/10.1214/22-AAP1820">10.1214/22-AAP1820</a>
  apa: Cipolloni, G., Erdös, L., &#38; Schröder, D. J. (2023). Functional central
    limit theorems for Wigner matrices. <i>Annals of Applied Probability</i>. Institute
    of Mathematical Statistics. <a href="https://doi.org/10.1214/22-AAP1820">https://doi.org/10.1214/22-AAP1820</a>
  chicago: Cipolloni, Giorgio, László Erdös, and Dominik J Schröder. “Functional Central
    Limit Theorems for Wigner Matrices.” <i>Annals of Applied Probability</i>. Institute
    of Mathematical Statistics, 2023. <a href="https://doi.org/10.1214/22-AAP1820">https://doi.org/10.1214/22-AAP1820</a>.
  ieee: G. Cipolloni, L. Erdös, and D. J. Schröder, “Functional central limit theorems
    for Wigner matrices,” <i>Annals of Applied Probability</i>, vol. 33, no. 1. Institute
    of Mathematical Statistics, pp. 447–489, 2023.
  ista: Cipolloni G, Erdös L, Schröder DJ. 2023. Functional central limit theorems
    for Wigner matrices. Annals of Applied Probability. 33(1), 447–489.
  mla: Cipolloni, Giorgio, et al. “Functional Central Limit Theorems for Wigner Matrices.”
    <i>Annals of Applied Probability</i>, vol. 33, no. 1, Institute of Mathematical
    Statistics, 2023, pp. 447–89, doi:<a href="https://doi.org/10.1214/22-AAP1820">10.1214/22-AAP1820</a>.
  short: G. Cipolloni, L. Erdös, D.J. Schröder, Annals of Applied Probability 33 (2023)
    447–489.
corr_author: '1'
date_created: 2023-03-26T22:01:08Z
date_published: 2023-02-01T00:00:00Z
date_updated: 2025-04-14T07:57:19Z
day: '01'
department:
- _id: LaEr
doi: 10.1214/22-AAP1820
ec_funded: 1
external_id:
  arxiv:
  - '2012.13218'
  isi:
  - '000946432400015'
intvolume: '        33'
isi: 1
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/abs/2012.13218
month: '02'
oa: 1
oa_version: Preprint
page: 447-489
project:
- _id: 62796744-2b32-11ec-9570-940b20777f1d
  call_identifier: H2020
  grant_number: '101020331'
  name: Random matrices beyond Wigner-Dyson-Mehta
publication: Annals of Applied Probability
publication_identifier:
  issn:
  - 1050-5164
publication_status: published
publisher: Institute of Mathematical Statistics
quality_controlled: '1'
scopus_import: '1'
status: public
title: Functional central limit theorems for Wigner matrices
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 33
year: '2023'
...
---
_id: '12763'
abstract:
- lang: eng
  text: 'Kleinjohann (Archiv der Mathematik 35(1):574–582, 1980; Mathematische Zeitschrift
    176(3), 327–344, 1981) and Bangert (Archiv der Mathematik 38(1):54–57, 1982) extended
    the reach rch(S) from subsets S of Euclidean space to the reach rchM(S) of subsets
    S of Riemannian manifolds M, where M is smooth (we’ll assume at least C3). Bangert
    showed that sets of positive reach in Euclidean space and Riemannian manifolds
    are very similar. In this paper we introduce a slight variant of Kleinjohann’s
    and Bangert’s extension and quantify the similarity between sets of positive reach
    in Euclidean space and Riemannian manifolds in a new way: Given p∈M and q∈S, we
    bound the local feature size (a local version of the reach) of its lifting to
    the tangent space via the inverse exponential map (exp−1p(S)) at q, assuming that
    rchM(S) and the geodesic distance dM(p,q) are bounded. These bounds are motivated
    by the importance of the reach and local feature size to manifold learning, topological
    inference, and triangulating manifolds and the fact that intrinsic approaches
    circumvent the curse of dimensionality.'
acknowledgement: "We thank Eddie Aamari, David Cohen-Steiner, Isa Costantini, Fred
  Chazal, Ramsay Dyer, André Lieutier, and Alef Sterk for discussion and Pierre Pansu
  for encouragement. We further acknowledge the anonymous reviewers whose comments
  helped improve the exposition.\r\nThe research leading to these results has received
  funding from the European Research Council (ERC) under the European Union’s Seventh
  Framework Programme (FP/2007-2013) / ERC Grant Agreement No. 339025 GUDHI (Algorithmic
  Foundations of Geometry Understanding in Higher Dimensions). The first author is
  further supported by the French government, through the 3IA Côte d’Azur Investments
  in the Future project managed by the National Research Agency (ANR) with the reference
  number ANR-19-P3IA-0002. The second author is supported by the European Union’s
  Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie
  Grant Agreement No. 754411 and the Austrian science fund (FWF) M-3073."
article_processing_charge: No
article_type: original
author:
- first_name: Jean Daniel
  full_name: Boissonnat, Jean Daniel
  last_name: Boissonnat
- first_name: Mathijs
  full_name: Wintraecken, Mathijs
  id: 307CFBC8-F248-11E8-B48F-1D18A9856A87
  last_name: Wintraecken
  orcid: 0000-0002-7472-2220
citation:
  ama: Boissonnat JD, Wintraecken M. The reach of subsets of manifolds. <i>Journal
    of Applied and Computational Topology</i>. 2023;7:619-641. doi:<a href="https://doi.org/10.1007/s41468-023-00116-x">10.1007/s41468-023-00116-x</a>
  apa: Boissonnat, J. D., &#38; Wintraecken, M. (2023). The reach of subsets of manifolds.
    <i>Journal of Applied and Computational Topology</i>. Springer Nature. <a href="https://doi.org/10.1007/s41468-023-00116-x">https://doi.org/10.1007/s41468-023-00116-x</a>
  chicago: Boissonnat, Jean Daniel, and Mathijs Wintraecken. “The Reach of Subsets
    of Manifolds.” <i>Journal of Applied and Computational Topology</i>. Springer
    Nature, 2023. <a href="https://doi.org/10.1007/s41468-023-00116-x">https://doi.org/10.1007/s41468-023-00116-x</a>.
  ieee: J. D. Boissonnat and M. Wintraecken, “The reach of subsets of manifolds,”
    <i>Journal of Applied and Computational Topology</i>, vol. 7. Springer Nature,
    pp. 619–641, 2023.
  ista: Boissonnat JD, Wintraecken M. 2023. The reach of subsets of manifolds. Journal
    of Applied and Computational Topology. 7, 619–641.
  mla: Boissonnat, Jean Daniel, and Mathijs Wintraecken. “The Reach of Subsets of
    Manifolds.” <i>Journal of Applied and Computational Topology</i>, vol. 7, Springer
    Nature, 2023, pp. 619–41, doi:<a href="https://doi.org/10.1007/s41468-023-00116-x">10.1007/s41468-023-00116-x</a>.
  short: J.D. Boissonnat, M. Wintraecken, Journal of Applied and Computational Topology
    7 (2023) 619–641.
corr_author: '1'
date_created: 2023-03-26T22:01:08Z
date_published: 2023-09-01T00:00:00Z
date_updated: 2025-04-14T07:44:01Z
day: '01'
department:
- _id: HeEd
doi: 10.1007/s41468-023-00116-x
ec_funded: 1
intvolume: '         7'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://inserm.hal.science/INRIA-SACLAY/hal-04083524v1
month: '09'
oa: 1
oa_version: Submitted Version
page: 619-641
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
- _id: fc390959-9c52-11eb-aca3-afa58bd282b2
  grant_number: M03073
  name: Learning and triangulating manifolds via collapses
publication: Journal of Applied and Computational Topology
publication_identifier:
  eissn:
  - 2367-1734
  issn:
  - 2367-1726
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: The reach of subsets of manifolds
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 7
year: '2023'
...
---
_id: '12764'
abstract:
- lang: eng
  text: We study a new discretization of the Gaussian curvature for polyhedral surfaces.
    This discrete Gaussian curvature is defined on each conical singularity of a polyhedral
    surface as the quotient of the angle defect and the area of the Voronoi cell corresponding
    to the singularity. We divide polyhedral surfaces into discrete conformal classes
    using a generalization of discrete conformal equivalence pioneered by Feng Luo.
    We subsequently show that, in every discrete conformal class, there exists a polyhedral
    surface with constant discrete Gaussian curvature. We also provide explicit examples
    to demonstrate that this surface is in general not unique.
acknowledgement: Open access funding provided by the Austrian Science Fund (FWF).
  This research was supported by the FWF grant, Project number I4245-N35, and by the
  Deutsche Forschungsgemeinschaft (DFG - German Research Foundation) - Project-ID
  195170736 - TRR109.
article_processing_charge: Yes (via OA deal)
article_type: original
author:
- first_name: Hana
  full_name: Kourimska, Hana
  id: D9B8E14C-3C26-11EA-98F5-1F833DDC885E
  last_name: Kourimska
  orcid: 0000-0001-7841-0091
citation:
  ama: Kourimska H. Discrete yamabe problem for polyhedral surfaces. <i>Discrete and
    Computational Geometry</i>. 2023;70:123-153. doi:<a href="https://doi.org/10.1007/s00454-023-00484-2">10.1007/s00454-023-00484-2</a>
  apa: Kourimska, H. (2023). Discrete yamabe problem for polyhedral surfaces. <i>Discrete
    and Computational Geometry</i>. Springer Nature. <a href="https://doi.org/10.1007/s00454-023-00484-2">https://doi.org/10.1007/s00454-023-00484-2</a>
  chicago: Kourimska, Hana. “Discrete Yamabe Problem for Polyhedral Surfaces.” <i>Discrete
    and Computational Geometry</i>. Springer Nature, 2023. <a href="https://doi.org/10.1007/s00454-023-00484-2">https://doi.org/10.1007/s00454-023-00484-2</a>.
  ieee: H. Kourimska, “Discrete yamabe problem for polyhedral surfaces,” <i>Discrete
    and Computational Geometry</i>, vol. 70. Springer Nature, pp. 123–153, 2023.
  ista: Kourimska H. 2023. Discrete yamabe problem for polyhedral surfaces. Discrete
    and Computational Geometry. 70, 123–153.
  mla: Kourimska, Hana. “Discrete Yamabe Problem for Polyhedral Surfaces.” <i>Discrete
    and Computational Geometry</i>, vol. 70, Springer Nature, 2023, pp. 123–53, doi:<a
    href="https://doi.org/10.1007/s00454-023-00484-2">10.1007/s00454-023-00484-2</a>.
  short: H. Kourimska, Discrete and Computational Geometry 70 (2023) 123–153.
corr_author: '1'
date_created: 2023-03-26T22:01:09Z
date_published: 2023-07-01T00:00:00Z
date_updated: 2025-04-23T08:59:15Z
day: '01'
ddc:
- '510'
department:
- _id: HeEd
doi: 10.1007/s00454-023-00484-2
external_id:
  isi:
  - '000948148000001'
  pmid:
  - '37292248'
file:
- access_level: open_access
  checksum: cdbf90ba4a7ddcb190d37b9e9d4cb9d3
  content_type: application/pdf
  creator: dernst
  date_created: 2023-10-04T11:46:24Z
  date_updated: 2023-10-04T11:46:24Z
  file_id: '14396'
  file_name: 2023_DiscreteGeometry_Kourimska.pdf
  file_size: 1026683
  relation: main_file
  success: 1
file_date_updated: 2023-10-04T11:46:24Z
has_accepted_license: '1'
intvolume: '        70'
isi: 1
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
page: 123-153
pmid: 1
project:
- _id: 26AD5D90-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: I04245
  name: Algebraic Footprints of Geometric Features in Homology
publication: Discrete and Computational Geometry
publication_identifier:
  eissn:
  - 1432-0444
  issn:
  - 0179-5376
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Discrete yamabe problem for polyhedral surfaces
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'
...
---
OA_place: repository
OA_type: green
_id: '12765'
abstract:
- lang: eng
  text: "Animals exhibit a variety of behavioural defences against socially transmitted
    parasites. These defences evolved to increase host fitness by avoiding, resisting
    or tolerating infection.\r\nBecause they can occur in both infected individuals
    and their uninfected social partners, these defences often have important consequences
    for the social group.\r\nHere, we discuss the evolution and ecology of anti-parasite
    behavioural defences across a taxonomically wide social spectrum, considering
    colonial groups, stable groups, transitional groups and solitary animals.\r\nWe
    discuss avoidance, resistance and tolerance behaviours across these social group
    structures, identifying how social complexity, group composition and interdependent
    social relationships may contribute to the expression and evolution of behavioural
    strategies.\r\nFinally, we outline avenues for further investigation such as approaches
    to quantify group-level responses, and the connection of the physiological and
    behavioural response to parasites in different social contexts."
article_processing_charge: No
article_type: review
author:
- first_name: Sebastian
  full_name: Stockmaier, Sebastian
  last_name: Stockmaier
- first_name: Yuko
  full_name: Ulrich, Yuko
  last_name: Ulrich
- first_name: Gregory F.
  full_name: Albery, Gregory F.
  last_name: Albery
- first_name: Sylvia
  full_name: Cremer, Sylvia
  id: 2F64EC8C-F248-11E8-B48F-1D18A9856A87
  last_name: Cremer
  orcid: 0000-0002-2193-3868
- first_name: Patricia C.
  full_name: Lopes, Patricia C.
  last_name: Lopes
citation:
  ama: Stockmaier S, Ulrich Y, Albery GF, Cremer S, Lopes PC. Behavioural defences
    against parasites across host social structures. <i>Functional Ecology</i>. 2023;37(4):809-820.
    doi:<a href="https://doi.org/10.1111/1365-2435.14310">10.1111/1365-2435.14310</a>
  apa: Stockmaier, S., Ulrich, Y., Albery, G. F., Cremer, S., &#38; Lopes, P. C. (2023).
    Behavioural defences against parasites across host social structures. <i>Functional
    Ecology</i>. British Ecological Society. <a href="https://doi.org/10.1111/1365-2435.14310">https://doi.org/10.1111/1365-2435.14310</a>
  chicago: Stockmaier, Sebastian, Yuko Ulrich, Gregory F. Albery, Sylvia Cremer, and
    Patricia C. Lopes. “Behavioural Defences against Parasites across Host Social
    Structures.” <i>Functional Ecology</i>. British Ecological Society, 2023. <a href="https://doi.org/10.1111/1365-2435.14310">https://doi.org/10.1111/1365-2435.14310</a>.
  ieee: S. Stockmaier, Y. Ulrich, G. F. Albery, S. Cremer, and P. C. Lopes, “Behavioural
    defences against parasites across host social structures,” <i>Functional Ecology</i>,
    vol. 37, no. 4. British Ecological Society, pp. 809–820, 2023.
  ista: Stockmaier S, Ulrich Y, Albery GF, Cremer S, Lopes PC. 2023. Behavioural defences
    against parasites across host social structures. Functional Ecology. 37(4), 809–820.
  mla: Stockmaier, Sebastian, et al. “Behavioural Defences against Parasites across
    Host Social Structures.” <i>Functional Ecology</i>, vol. 37, no. 4, British Ecological
    Society, 2023, pp. 809–20, doi:<a href="https://doi.org/10.1111/1365-2435.14310">10.1111/1365-2435.14310</a>.
  short: S. Stockmaier, Y. Ulrich, G.F. Albery, S. Cremer, P.C. Lopes, Functional
    Ecology 37 (2023) 809–820.
date_created: 2023-03-26T22:01:09Z
date_published: 2023-04-01T00:00:00Z
date_updated: 2025-07-10T11:50:31Z
day: '01'
department:
- _id: SyCr
doi: 10.1111/1365-2435.14310
external_id:
  isi:
  - '000948940500001'
intvolume: '        37'
isi: 1
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://digitalcommons.chapman.edu/cgi/viewcontent.cgi?article=1585&context=sees_articles
month: '04'
oa: 1
oa_version: Submitted Version
page: 809-820
publication: Functional Ecology
publication_identifier:
  eissn:
  - 1365-2435
  issn:
  - 0269-8463
publication_status: published
publisher: British Ecological Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Behavioural defences against parasites across host social structures
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 37
year: '2023'
...
---
_id: '12786'
abstract:
- lang: eng
  text: AMPA glutamate receptors (AMPARs) mediate excitatory neurotransmission throughout
    the brain. Their signalling is uniquely diversified by brain region-specific auxiliary
    subunits, providing an opportunity for the development of selective therapeutics.
    AMPARs associated with TARP γ8 are enriched in the hippocampus, and are targets
    of emerging anti-epileptic drugs. To understand their therapeutic activity, we
    determined cryo-EM structures of the GluA1/2-γ8 receptor associated with three
    potent, chemically diverse ligands. We find that despite sharing a lipid-exposed
    and water-accessible binding pocket, drug action is differentially affected by
    binding-site mutants. Together with patch-clamp recordings and MD simulations
    we also demonstrate that ligand-triggered reorganisation of the AMPAR-TARP interface
    contributes to modulation. Unexpectedly, one ligand (JNJ-61432059) acts bifunctionally,
    negatively affecting GluA1 but exerting positive modulatory action on GluA2-containing
    AMPARs, in a TARP stoichiometry-dependent manner. These results further illuminate
    the action of TARPs, demonstrate the sensitive balance between positive and negative
    modulatory action, and provide a mechanistic platform for development of both
    positive and negative selective AMPAR modulators.
acknowledgement: We thank James Krieger for generating the ‘proDy’ interaction maps
  in Fig. 5B and S7C, and Jan-Niklas Dohrke for critically reading the manuscript.
  We thank members of the Greger lab for insightful comments during this study. We
  acknowledge Trevor Rutherford for confirming ligand integrity by NMR. We are also
  grateful to LMB scientific computing and the EM facility for their support. This
  research was funded in part by the Wellcome Trust (223194/Z/21/Z) to I.H.G. For
  the purpose of Open Access, the MRC Laboratory of Molecular Biology has applied
  a CC BY public copyright licence to any Author Accepted Manuscript (AAM) version
  arising from this submission. Further funding came from the Medical Research Council
  (MRU105174197) to I.H.G, and NIH grant (R56/R01MH123474) to T.N.
article_number: '1659'
article_processing_charge: No
article_type: original
author:
- first_name: Danyang
  full_name: Zhang, Danyang
  last_name: Zhang
- first_name: Remigijus
  full_name: Lape, Remigijus
  last_name: Lape
- first_name: Saher A.
  full_name: Shaikh, Saher A.
  last_name: Shaikh
- first_name: Bianka K.
  full_name: Kohegyi, Bianka K.
  last_name: Kohegyi
- first_name: Jake
  full_name: Watson, Jake
  id: 63836096-4690-11EA-BD4E-32803DDC885E
  last_name: Watson
  orcid: 0000-0002-8698-3823
- first_name: Ondrej
  full_name: Cais, Ondrej
  last_name: Cais
- first_name: Terunaga
  full_name: Nakagawa, Terunaga
  last_name: Nakagawa
- first_name: Ingo H.
  full_name: Greger, Ingo H.
  last_name: Greger
citation:
  ama: Zhang D, Lape R, Shaikh SA, et al. Modulatory mechanisms of TARP γ8-selective
    AMPA receptor therapeutics. <i>Nature Communications</i>. 2023;14. doi:<a href="https://doi.org/10.1038/s41467-023-37259-5">10.1038/s41467-023-37259-5</a>
  apa: Zhang, D., Lape, R., Shaikh, S. A., Kohegyi, B. K., Watson, J., Cais, O., …
    Greger, I. H. (2023). Modulatory mechanisms of TARP γ8-selective AMPA receptor
    therapeutics. <i>Nature Communications</i>. Springer Nature. <a href="https://doi.org/10.1038/s41467-023-37259-5">https://doi.org/10.1038/s41467-023-37259-5</a>
  chicago: Zhang, Danyang, Remigijus Lape, Saher A. Shaikh, Bianka K. Kohegyi, Jake
    Watson, Ondrej Cais, Terunaga Nakagawa, and Ingo H. Greger. “Modulatory Mechanisms
    of TARP Γ8-Selective AMPA Receptor Therapeutics.” <i>Nature Communications</i>.
    Springer Nature, 2023. <a href="https://doi.org/10.1038/s41467-023-37259-5">https://doi.org/10.1038/s41467-023-37259-5</a>.
  ieee: D. Zhang <i>et al.</i>, “Modulatory mechanisms of TARP γ8-selective AMPA receptor
    therapeutics,” <i>Nature Communications</i>, vol. 14. Springer Nature, 2023.
  ista: Zhang D, Lape R, Shaikh SA, Kohegyi BK, Watson J, Cais O, Nakagawa T, Greger
    IH. 2023. Modulatory mechanisms of TARP γ8-selective AMPA receptor therapeutics.
    Nature Communications. 14, 1659.
  mla: Zhang, Danyang, et al. “Modulatory Mechanisms of TARP Γ8-Selective AMPA Receptor
    Therapeutics.” <i>Nature Communications</i>, vol. 14, 1659, Springer Nature, 2023,
    doi:<a href="https://doi.org/10.1038/s41467-023-37259-5">10.1038/s41467-023-37259-5</a>.
  short: D. Zhang, R. Lape, S.A. Shaikh, B.K. Kohegyi, J. Watson, O. Cais, T. Nakagawa,
    I.H. Greger, Nature Communications 14 (2023).
date_created: 2023-04-02T22:01:09Z
date_published: 2023-03-25T00:00:00Z
date_updated: 2023-12-13T11:15:58Z
day: '25'
ddc:
- '570'
department:
- _id: PeJo
doi: 10.1038/s41467-023-37259-5
external_id:
  isi:
  - '001066658700003'
file:
- access_level: open_access
  checksum: 0a97b31191432dae5853bbb5ccb7698d
  content_type: application/pdf
  creator: dernst
  date_created: 2023-04-03T06:38:56Z
  date_updated: 2023-04-03T06:38:56Z
  file_id: '12797'
  file_name: 2023_NatureComm_Zhang.pdf
  file_size: 2613996
  relation: main_file
  success: 1
file_date_updated: 2023-04-03T06:38:56Z
has_accepted_license: '1'
intvolume: '        14'
isi: 1
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
publication: Nature Communications
publication_identifier:
  eissn:
  - 2041-1723
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Modulatory mechanisms of TARP γ8-selective AMPA receptor therapeutics
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
  name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
  short: CC BY (4.0)
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 14
year: '2023'
...
---
_id: '12788'
abstract:
- lang: eng
  text: We show that the simplest of existing molecules—closed-shell diatomics not
    interacting with one another—host topological charges when driven by periodic
    far-off-resonant laser pulses. A periodically kicked molecular rotor can be mapped
    onto a “crystalline” lattice in angular momentum space. This allows us to define
    quasimomenta and the band structure in the Floquet representation, by analogy
    with the Bloch waves of solid-state physics. Applying laser pulses spaced by 1/3
    of the molecular rotational period creates a lattice with three atoms per unit
    cell with staggered hopping. Within the synthetic dimension of the laser strength,
    we discover Dirac cones with topological charges. These Dirac cones, topologically
    protected by reflection and time-reversal symmetry, are reminiscent of (although
    not equivalent to) that seen in graphene. They—and the corresponding edge states—are
    broadly tunable by adjusting the laser strength and can be observed in present-day
    experiments by measuring molecular alignment and populations of rotational levels.
    This paves the way to study controllable topological physics in gas-phase experiments
    with small molecules as well as to classify dynamical molecular states by their
    topological invariants.
acknowledgement: M. L. acknowledges support by the European Research Council (ERC)
  Starting Grant No. 801770 (ANGULON).
article_number: '103202'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Volker
  full_name: Karle, Volker
  id: D7C012AE-D7ED-11E9-95E8-1EC5E5697425
  last_name: Karle
  orcid: 0000-0002-6963-0129
- first_name: Areg
  full_name: Ghazaryan, Areg
  id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87
  last_name: Ghazaryan
  orcid: 0000-0001-9666-3543
- first_name: Mikhail
  full_name: Lemeshko, Mikhail
  id: 37CB05FA-F248-11E8-B48F-1D18A9856A87
  last_name: Lemeshko
  orcid: 0000-0002-6990-7802
citation:
  ama: Karle V, Ghazaryan A, Lemeshko M. Topological charges of periodically kicked
    molecules. <i>Physical Review Letters</i>. 2023;130(10). doi:<a href="https://doi.org/10.1103/PhysRevLett.130.103202">10.1103/PhysRevLett.130.103202</a>
  apa: Karle, V., Ghazaryan, A., &#38; Lemeshko, M. (2023). Topological charges of
    periodically kicked molecules. <i>Physical Review Letters</i>. American Physical
    Society. <a href="https://doi.org/10.1103/PhysRevLett.130.103202">https://doi.org/10.1103/PhysRevLett.130.103202</a>
  chicago: Karle, Volker, Areg Ghazaryan, and Mikhail Lemeshko. “Topological Charges
    of Periodically Kicked Molecules.” <i>Physical Review Letters</i>. American Physical
    Society, 2023. <a href="https://doi.org/10.1103/PhysRevLett.130.103202">https://doi.org/10.1103/PhysRevLett.130.103202</a>.
  ieee: V. Karle, A. Ghazaryan, and M. Lemeshko, “Topological charges of periodically
    kicked molecules,” <i>Physical Review Letters</i>, vol. 130, no. 10. American
    Physical Society, 2023.
  ista: Karle V, Ghazaryan A, Lemeshko M. 2023. Topological charges of periodically
    kicked molecules. Physical Review Letters. 130(10), 103202.
  mla: Karle, Volker, et al. “Topological Charges of Periodically Kicked Molecules.”
    <i>Physical Review Letters</i>, vol. 130, no. 10, 103202, American Physical Society,
    2023, doi:<a href="https://doi.org/10.1103/PhysRevLett.130.103202">10.1103/PhysRevLett.130.103202</a>.
  short: V. Karle, A. Ghazaryan, M. Lemeshko, Physical Review Letters 130 (2023).
corr_author: '1'
date_created: 2023-04-02T22:01:10Z
date_published: 2023-03-10T00:00:00Z
date_updated: 2026-04-07T11:48:53Z
day: '10'
department:
- _id: MiLe
doi: 10.1103/PhysRevLett.130.103202
ec_funded: 1
external_id:
  arxiv:
  - '2206.07067'
  isi:
  - '000957635500003'
  pmid:
  - '36962042'
intvolume: '       130'
isi: 1
issue: '10'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2206.07067
month: '03'
oa: 1
oa_version: Preprint
pmid: 1
project:
- _id: 2688CF98-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '801770'
  name: 'Angulon: physics and applications of a new quasiparticle'
publication: Physical Review Letters
publication_identifier:
  eissn:
  - 1079-7114
  issn:
  - 0031-9007
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
related_material:
  link:
  - description: News on the ISTA website
    relation: press_release
    url: https://ista.ac.at/en/news/topology-of-rotating-molecules/
  record:
  - id: '19393'
    relation: dissertation_contains
    status: public
scopus_import: '1'
status: public
title: Topological charges of periodically kicked molecules
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 130
year: '2023'
...
---
_id: '12789'
abstract:
- lang: eng
  text: Experiments have shown that charge distributions of granular materials are
    non-Gaussian, with broad tails that indicate many particles with high charge.
    This observation has consequences for the behavior of granular materials in many
    settings, and may bear relevance to the underlying charge transfer mechanism.
    However, there is the unaddressed possibility that broad tails arise due to experimental
    uncertainties, as determining the shapes of tails is nontrivial. Here we show
    that measurement uncertainties can indeed account for most of the tail broadening
    previously observed. The clue that reveals this is that distributions are sensitive
    to the electric field at which they are measured; ones measured at low (high)
    fields have larger (smaller) tails. Accounting for sources of uncertainty, we
    reproduce this broadening in silico. Finally, we use our results to back out the
    true charge distribution without broadening, which we find is still non-Guassian,
    though with substantially different behavior at the tails and indicating significantly
    fewer highly charged particles. These results have implications in many natural
    settings where electrostatic interactions, especially among highly charged particles,
    strongly affect granular behavior.
acknowledged_ssus:
- _id: M-Shop
acknowledgement: This research was supported by Grants QUIMAL 160001 and Fondecyt
  1221597. This project has received funding from the European Research Council (ERC)
  under the European Union's Horizon 2020 research and innovation programme (Grant
  Agreement No. 949120). This research was supported by the Scientific Service Units
  of The Institute of Science and Technology Austria (ISTA) through resources provided
  by the Miba Machine Shop. We thank the machine shop technical assistance of Ricardo
  Silva and Andrés Espinosa at Departamento de Física, Universidad de Chile.
article_number: '034901'
article_processing_charge: No
article_type: original
author:
- first_name: Nicolás
  full_name: Mujica, Nicolás
  last_name: Mujica
- first_name: Scott R
  full_name: Waitukaitis, Scott R
  id: 3A1FFC16-F248-11E8-B48F-1D18A9856A87
  last_name: Waitukaitis
  orcid: 0000-0002-2299-3176
citation:
  ama: Mujica N, Waitukaitis SR. Accurate determination of the shapes of granular
    charge distributions. <i>Physical Review E</i>. 2023;107(3). doi:<a href="https://doi.org/10.1103/PhysRevE.107.034901">10.1103/PhysRevE.107.034901</a>
  apa: Mujica, N., &#38; Waitukaitis, S. R. (2023). Accurate determination of the
    shapes of granular charge distributions. <i>Physical Review E</i>. American Physical
    Society. <a href="https://doi.org/10.1103/PhysRevE.107.034901">https://doi.org/10.1103/PhysRevE.107.034901</a>
  chicago: Mujica, Nicolás, and Scott R Waitukaitis. “Accurate Determination of the
    Shapes of Granular Charge Distributions.” <i>Physical Review E</i>. American Physical
    Society, 2023. <a href="https://doi.org/10.1103/PhysRevE.107.034901">https://doi.org/10.1103/PhysRevE.107.034901</a>.
  ieee: N. Mujica and S. R. Waitukaitis, “Accurate determination of the shapes of
    granular charge distributions,” <i>Physical Review E</i>, vol. 107, no. 3. American
    Physical Society, 2023.
  ista: Mujica N, Waitukaitis SR. 2023. Accurate determination of the shapes of granular
    charge distributions. Physical Review E. 107(3), 034901.
  mla: Mujica, Nicolás, and Scott R. Waitukaitis. “Accurate Determination of the Shapes
    of Granular Charge Distributions.” <i>Physical Review E</i>, vol. 107, no. 3,
    034901, American Physical Society, 2023, doi:<a href="https://doi.org/10.1103/PhysRevE.107.034901">10.1103/PhysRevE.107.034901</a>.
  short: N. Mujica, S.R. Waitukaitis, Physical Review E 107 (2023).
corr_author: '1'
date_created: 2023-04-02T22:01:10Z
date_published: 2023-03-01T00:00:00Z
date_updated: 2025-04-14T07:54:10Z
day: '01'
ddc:
- '530'
department:
- _id: ScWa
doi: 10.1103/PhysRevE.107.034901
ec_funded: 1
external_id:
  isi:
  - '000992142700001'
  pmid:
  - '37072968'
file:
- access_level: open_access
  checksum: 48f5dfe4e5f1c46c3c86805cd8f84bea
  content_type: application/pdf
  creator: swaituka
  date_created: 2023-11-27T09:51:48Z
  date_updated: 2023-11-27T09:51:48Z
  file_id: '14612'
  file_name: PhysRevE.107.034901 (1).pdf
  file_size: 1428631
  relation: main_file
  success: 1
file_date_updated: 2023-11-27T09:51:48Z
has_accepted_license: '1'
intvolume: '       107'
isi: 1
issue: '3'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
pmid: 1
project:
- _id: 0aa60e99-070f-11eb-9043-a6de6bdc3afa
  call_identifier: H2020
  grant_number: '949120'
  name: 'Tribocharge: a multi-scale approach to an enduring problem in physics'
publication: Physical Review E
publication_identifier:
  eissn:
  - 2470-0053
  issn:
  - 2470-0045
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Accurate determination of the shapes of granular charge distributions
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 107
year: '2023'
...
---
_id: '12790'
abstract:
- lang: eng
  text: Motivated by the recent discoveries of superconductivity in bilayer and trilayer
    graphene, we theoretically investigate superconductivity and other interaction-driven
    phases in multilayer graphene stacks. To this end, we study the density of states
    of multilayer graphene with up to four layers at the single-particle band structure
    level in the presence of a transverse electric field. Among the considered structures,
    tetralayer graphene with rhombohedral (ABCA) stacking reaches the highest density
    of states. We study the phases that can arise in ABCA graphene by tuning the carrier
    density and transverse electric field. For a broad region of the tuning parameters,
    the presence of strong Coulomb repulsion leads to a spontaneous spin and valley
    symmetry breaking via Stoner transitions. Using a model that incorporates the
    spontaneous spin and valley polarization, we explore the Kohn-Luttinger mechanism
    for superconductivity driven by repulsive Coulomb interactions. We find that the
    strongest superconducting instability is in the p-wave channel, and occurs in
    proximity to the onset of Stoner transitions. Interestingly, we find a range of
    densities and transverse electric fields where superconductivity develops out
    of a strongly corrugated, singly connected Fermi surface in each valley, leading
    to a topologically nontrivial chiral p+ip superconducting state with an even number
    of copropagating chiral Majorana edge modes. Our work establishes ABCA-stacked
    tetralayer graphene as a promising platform for observing strongly correlated
    physics and topological superconductivity.
acknowledgement: E.B. and T.H. were supported by the European Research Council (ERC)
  under grant HQMAT (Grant Agreement No. 817799), by the Israel-USA Binational Science
  Foundation (BSF), and by a Research grant from Irving and Cherna Moskowitz.
article_number: '104502'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Areg
  full_name: Ghazaryan, Areg
  id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87
  last_name: Ghazaryan
  orcid: 0000-0001-9666-3543
- first_name: Tobias
  full_name: Holder, Tobias
  last_name: Holder
- first_name: Erez
  full_name: Berg, Erez
  last_name: Berg
- first_name: Maksym
  full_name: Serbyn, Maksym
  id: 47809E7E-F248-11E8-B48F-1D18A9856A87
  last_name: Serbyn
  orcid: 0000-0002-2399-5827
citation:
  ama: Ghazaryan A, Holder T, Berg E, Serbyn M. Multilayer graphenes as a platform
    for interaction-driven physics and topological superconductivity. <i>Physical
    Review B</i>. 2023;107(10). doi:<a href="https://doi.org/10.1103/PhysRevB.107.104502">10.1103/PhysRevB.107.104502</a>
  apa: Ghazaryan, A., Holder, T., Berg, E., &#38; Serbyn, M. (2023). Multilayer graphenes
    as a platform for interaction-driven physics and topological superconductivity.
    <i>Physical Review B</i>. American Physical Society. <a href="https://doi.org/10.1103/PhysRevB.107.104502">https://doi.org/10.1103/PhysRevB.107.104502</a>
  chicago: Ghazaryan, Areg, Tobias Holder, Erez Berg, and Maksym Serbyn. “Multilayer
    Graphenes as a Platform for Interaction-Driven Physics and Topological Superconductivity.”
    <i>Physical Review B</i>. American Physical Society, 2023. <a href="https://doi.org/10.1103/PhysRevB.107.104502">https://doi.org/10.1103/PhysRevB.107.104502</a>.
  ieee: A. Ghazaryan, T. Holder, E. Berg, and M. Serbyn, “Multilayer graphenes as
    a platform for interaction-driven physics and topological superconductivity,”
    <i>Physical Review B</i>, vol. 107, no. 10. American Physical Society, 2023.
  ista: Ghazaryan A, Holder T, Berg E, Serbyn M. 2023. Multilayer graphenes as a platform
    for interaction-driven physics and topological superconductivity. Physical Review
    B. 107(10), 104502.
  mla: Ghazaryan, Areg, et al. “Multilayer Graphenes as a Platform for Interaction-Driven
    Physics and Topological Superconductivity.” <i>Physical Review B</i>, vol. 107,
    no. 10, 104502, American Physical Society, 2023, doi:<a href="https://doi.org/10.1103/PhysRevB.107.104502">10.1103/PhysRevB.107.104502</a>.
  short: A. Ghazaryan, T. Holder, E. Berg, M. Serbyn, Physical Review B 107 (2023).
date_created: 2023-04-02T22:01:10Z
date_published: 2023-03-01T00:00:00Z
date_updated: 2023-08-01T13:59:29Z
day: '01'
department:
- _id: MaSe
- _id: MiLe
doi: 10.1103/PhysRevB.107.104502
external_id:
  arxiv:
  - '2211.02492'
  isi:
  - '000945526400003'
intvolume: '       107'
isi: 1
issue: '10'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2211.02492
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'
related_material:
  link:
  - description: News on the ISTA website
    relation: press_release
    url: https://ista.ac.at/en/news/reaching-superconductivity-layer-by-layer/
scopus_import: '1'
status: public
title: Multilayer graphenes as a platform for interaction-driven physics and topological
  superconductivity
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 107
year: '2023'
...
---
_id: '12791'
abstract:
- lang: eng
  text: We investigate the capabilities of Physics-Informed Neural Networks (PINNs)
    to reconstruct turbulent Rayleigh–Bénard flows using only temperature information.
    We perform a quantitative analysis of the quality of the reconstructions at various
    amounts of low-passed-filtered information and turbulent intensities. We compare
    our results with those obtained via nudging, a classical equation-informed data
    assimilation technique. At low Rayleigh numbers, PINNs are able to reconstruct
    with high precision, comparable to the one achieved with nudging. At high Rayleigh
    numbers, PINNs outperform nudging and are able to achieve satisfactory reconstruction
    of the velocity fields only when data for temperature is provided with high spatial
    and temporal density. When data becomes sparse, the PINNs performance worsens,
    not only in a point-to-point error sense but also, and contrary to nudging, in
    a statistical sense, as can be seen in the probability density functions and energy
    spectra.
acknowledgement: This project has received partial funding from the European Research
  Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Programme
  (Grant Agreement No. 882340))
article_number: '16'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Patricio
  full_name: Clark Di Leoni, Patricio
  last_name: Clark Di Leoni
- first_name: Lokahith N
  full_name: Agasthya, Lokahith N
  id: cd100965-0804-11ed-9c55-f4878ff4e877
  last_name: Agasthya
- first_name: Michele
  full_name: Buzzicotti, Michele
  last_name: Buzzicotti
- first_name: Luca
  full_name: Biferale, Luca
  last_name: Biferale
citation:
  ama: Clark Di Leoni P, Agasthya LN, Buzzicotti M, Biferale L. Reconstructing Rayleigh–Bénard
    flows out of temperature-only measurements using Physics-Informed Neural Networks.
    <i>The European Physical Journal E</i>. 2023;46(3). doi:<a href="https://doi.org/10.1140/epje/s10189-023-00276-9">10.1140/epje/s10189-023-00276-9</a>
  apa: Clark Di Leoni, P., Agasthya, L. N., Buzzicotti, M., &#38; Biferale, L. (2023).
    Reconstructing Rayleigh–Bénard flows out of temperature-only measurements using
    Physics-Informed Neural Networks. <i>The European Physical Journal E</i>. Springer
    Nature. <a href="https://doi.org/10.1140/epje/s10189-023-00276-9">https://doi.org/10.1140/epje/s10189-023-00276-9</a>
  chicago: Clark Di Leoni, Patricio, Lokahith N Agasthya, Michele Buzzicotti, and
    Luca Biferale. “Reconstructing Rayleigh–Bénard Flows out of Temperature-Only Measurements
    Using Physics-Informed Neural Networks.” <i>The European Physical Journal E</i>.
    Springer Nature, 2023. <a href="https://doi.org/10.1140/epje/s10189-023-00276-9">https://doi.org/10.1140/epje/s10189-023-00276-9</a>.
  ieee: P. Clark Di Leoni, L. N. Agasthya, M. Buzzicotti, and L. Biferale, “Reconstructing
    Rayleigh–Bénard flows out of temperature-only measurements using Physics-Informed
    Neural Networks,” <i>The European Physical Journal E</i>, vol. 46, no. 3. Springer
    Nature, 2023.
  ista: Clark Di Leoni P, Agasthya LN, Buzzicotti M, Biferale L. 2023. Reconstructing
    Rayleigh–Bénard flows out of temperature-only measurements using Physics-Informed
    Neural Networks. The European Physical Journal E. 46(3), 16.
  mla: Clark Di Leoni, Patricio, et al. “Reconstructing Rayleigh–Bénard Flows out
    of Temperature-Only Measurements Using Physics-Informed Neural Networks.” <i>The
    European Physical Journal E</i>, vol. 46, no. 3, 16, Springer Nature, 2023, doi:<a
    href="https://doi.org/10.1140/epje/s10189-023-00276-9">10.1140/epje/s10189-023-00276-9</a>.
  short: P. Clark Di Leoni, L.N. Agasthya, M. Buzzicotti, L. Biferale, The European
    Physical Journal E 46 (2023).
date_created: 2023-04-02T22:01:11Z
date_published: 2023-03-20T00:00:00Z
date_updated: 2025-04-23T08:52:35Z
day: '20'
department:
- _id: CaMu
doi: 10.1140/epje/s10189-023-00276-9
external_id:
  arxiv:
  - '2301.07769'
  isi:
  - '000956387200001'
  pmid:
  - '36939938'
intvolume: '        46'
isi: 1
issue: '3'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: ' https://doi.org/10.48550/arXiv.2301.07769'
month: '03'
oa: 1
oa_version: Preprint
pmid: 1
publication: The European Physical Journal E
publication_identifier:
  eissn:
  - 1292-895X
  issn:
  - 1292-8941
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Reconstructing Rayleigh–Bénard flows out of temperature-only measurements using
  Physics-Informed Neural Networks
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 46
year: '2023'
...
---
_id: '12792'
abstract:
- lang: eng
  text: In the physics literature the spectral form factor (SFF), the squared Fourier
    transform of the empirical eigenvalue density, is the most common tool to test
    universality for disordered quantum systems, yet previous mathematical results
    have been restricted only to two exactly solvable models (Forrester in J Stat
    Phys 183:33, 2021. https://doi.org/10.1007/s10955-021-02767-5, Commun Math Phys
    387:215–235, 2021. https://doi.org/10.1007/s00220-021-04193-w). We rigorously
    prove the physics prediction on SFF up to an intermediate time scale for a large
    class of random matrices using a robust method, the multi-resolvent local laws.
    Beyond Wigner matrices we also consider the monoparametric ensemble and prove
    that universality of SFF can already be triggered by a single random parameter,
    supplementing the recently proven Wigner–Dyson universality (Cipolloni et al.
    in Probab Theory Relat Fields, 2021. https://doi.org/10.1007/s00440-022-01156-7)
    to larger spectral scales. Remarkably, extensive numerics indicates that our formulas
    correctly predict the SFF in the entire slope-dip-ramp regime, as customarily
    called in physics.
acknowledgement: "We are grateful to the authors of [25] for sharing with us their
  insights and preliminary numerical results. We are especially thankful to Stephen
  Shenker for very valuable advice over several email communications. Helpful comments
  on the manuscript from Peter Forrester and from the anonymous referees are also
  acknowledged.\r\nOpen access funding provided by Institute of Science and Technology
  (IST Austria).\r\nLászló Erdős: Partially supported by ERC Advanced Grant \"RMTBeyond\"
  No. 101020331. Dominik Schröder: Supported by Dr. Max Rössler, the Walter Haefner
  Foundation and the ETH Zürich Foundation."
article_processing_charge: Yes (via OA deal)
article_type: original
author:
- first_name: Giorgio
  full_name: Cipolloni, Giorgio
  id: 42198EFA-F248-11E8-B48F-1D18A9856A87
  last_name: Cipolloni
  orcid: 0000-0002-4901-7992
- first_name: László
  full_name: Erdös, László
  id: 4DBD5372-F248-11E8-B48F-1D18A9856A87
  last_name: Erdös
  orcid: 0000-0001-5366-9603
- first_name: Dominik J
  full_name: Schröder, Dominik J
  id: 408ED176-F248-11E8-B48F-1D18A9856A87
  last_name: Schröder
  orcid: 0000-0002-2904-1856
citation:
  ama: Cipolloni G, Erdös L, Schröder DJ. On the spectral form factor for random matrices.
    <i>Communications in Mathematical Physics</i>. 2023;401:1665-1700. doi:<a href="https://doi.org/10.1007/s00220-023-04692-y">10.1007/s00220-023-04692-y</a>
  apa: Cipolloni, G., Erdös, L., &#38; Schröder, D. J. (2023). On the spectral form
    factor for random matrices. <i>Communications in Mathematical Physics</i>. Springer
    Nature. <a href="https://doi.org/10.1007/s00220-023-04692-y">https://doi.org/10.1007/s00220-023-04692-y</a>
  chicago: Cipolloni, Giorgio, László Erdös, and Dominik J Schröder. “On the Spectral
    Form Factor for Random Matrices.” <i>Communications in Mathematical Physics</i>.
    Springer Nature, 2023. <a href="https://doi.org/10.1007/s00220-023-04692-y">https://doi.org/10.1007/s00220-023-04692-y</a>.
  ieee: G. Cipolloni, L. Erdös, and D. J. Schröder, “On the spectral form factor for
    random matrices,” <i>Communications in Mathematical Physics</i>, vol. 401. Springer
    Nature, pp. 1665–1700, 2023.
  ista: Cipolloni G, Erdös L, Schröder DJ. 2023. On the spectral form factor for random
    matrices. Communications in Mathematical Physics. 401, 1665–1700.
  mla: Cipolloni, Giorgio, et al. “On the Spectral Form Factor for Random Matrices.”
    <i>Communications in Mathematical Physics</i>, vol. 401, Springer Nature, 2023,
    pp. 1665–700, doi:<a href="https://doi.org/10.1007/s00220-023-04692-y">10.1007/s00220-023-04692-y</a>.
  short: G. Cipolloni, L. Erdös, D.J. Schröder, Communications in Mathematical Physics
    401 (2023) 1665–1700.
corr_author: '1'
date_created: 2023-04-02T22:01:11Z
date_published: 2023-07-01T00:00:00Z
date_updated: 2025-04-14T07:57:19Z
day: '01'
ddc:
- '510'
department:
- _id: LaEr
doi: 10.1007/s00220-023-04692-y
ec_funded: 1
external_id:
  isi:
  - '000957343500001'
file:
- access_level: open_access
  checksum: 72057940f76654050ca84a221f21786c
  content_type: application/pdf
  creator: dernst
  date_created: 2023-10-04T12:09:18Z
  date_updated: 2023-10-04T12:09:18Z
  file_id: '14397'
  file_name: 2023_CommMathPhysics_Cipolloni.pdf
  file_size: 859967
  relation: main_file
  success: 1
file_date_updated: 2023-10-04T12:09:18Z
has_accepted_license: '1'
intvolume: '       401'
isi: 1
language:
- iso: eng
month: '07'
oa: 1
oa_version: Published Version
page: 1665-1700
project:
- _id: 62796744-2b32-11ec-9570-940b20777f1d
  call_identifier: H2020
  grant_number: '101020331'
  name: Random matrices beyond Wigner-Dyson-Mehta
publication: Communications in Mathematical Physics
publication_identifier:
  eissn:
  - 1432-0916
  issn:
  - 0010-3616
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: On the spectral form factor for random matrices
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: 401
year: '2023'
...
