---
_id: '12548'
abstract:
- lang: eng
text: The limited exchange between human communities is a key factor in preventing
the spread of COVID-19. This paper introduces a digital framework that combines
an integration of real mobility data at the country scale with a series of modeling
techniques and visual capabilities that highlight mobility patterns before and
during the pandemic. The findings not only significantly exhibit mobility trends
and different degrees of similarities at regional and local levels but also provide
potential insight into the emergence of a pandemic on human behavior patterns
and their likely socio-economic impacts.
article_number: '00093'
article_processing_charge: No
author:
- first_name: Mohammad
full_name: Forghani, Mohammad
last_name: Forghani
- first_name: Christophe
full_name: Claramunt, Christophe
last_name: Claramunt
- first_name: Farid
full_name: Karimipour, Farid
id: 2A2BCDC4-CF62-11E9-BE5E-3B1EE6697425
last_name: Karimipour
orcid: 0000-0001-6746-4174
- first_name: Georg
full_name: Heiler, Georg
last_name: Heiler
citation:
ama: 'Forghani M, Claramunt C, Karimipour F, Heiler G. Visual analytics of mobility
network changes observed using mobile phone data during COVID-19 pandemic. In:
2022 IEEE International Conference on Data Mining Workshops. Institute
of Electrical and Electronics Engineers; 2023. doi:10.1109/icdmw58026.2022.00093'
apa: 'Forghani, M., Claramunt, C., Karimipour, F., & Heiler, G. (2023). Visual
analytics of mobility network changes observed using mobile phone data during
COVID-19 pandemic. In 2022 IEEE International Conference on Data Mining Workshops.
Orlando, FL, United States: Institute of Electrical and Electronics Engineers.
https://doi.org/10.1109/icdmw58026.2022.00093'
chicago: Forghani, Mohammad, Christophe Claramunt, Farid Karimipour, and Georg Heiler.
“Visual Analytics of Mobility Network Changes Observed Using Mobile Phone Data
during COVID-19 Pandemic.” In 2022 IEEE International Conference on Data Mining
Workshops. Institute of Electrical and Electronics Engineers, 2023. https://doi.org/10.1109/icdmw58026.2022.00093.
ieee: M. Forghani, C. Claramunt, F. Karimipour, and G. Heiler, “Visual analytics
of mobility network changes observed using mobile phone data during COVID-19 pandemic,”
in 2022 IEEE International Conference on Data Mining Workshops, Orlando,
FL, United States, 2023.
ista: 'Forghani M, Claramunt C, Karimipour F, Heiler G. 2023. Visual analytics of
mobility network changes observed using mobile phone data during COVID-19 pandemic.
2022 IEEE International Conference on Data Mining Workshops. ICDMW: Conference
on Data Mining Workshops, 00093.'
mla: Forghani, Mohammad, et al. “Visual Analytics of Mobility Network Changes Observed
Using Mobile Phone Data during COVID-19 Pandemic.” 2022 IEEE International
Conference on Data Mining Workshops, 00093, Institute of Electrical and Electronics
Engineers, 2023, doi:10.1109/icdmw58026.2022.00093.
short: M. Forghani, C. Claramunt, F. Karimipour, G. Heiler, in:, 2022 IEEE International
Conference on Data Mining Workshops, Institute of Electrical and Electronics Engineers,
2023.
conference:
end_date: 2022-12-01
location: Orlando, FL, United States
name: 'ICDMW: Conference on Data Mining Workshops'
start_date: 2022-11-28
date_created: 2023-02-14T07:56:21Z
date_published: 2023-02-08T00:00:00Z
date_updated: 2023-08-01T13:15:48Z
day: '08'
ddc:
- '600'
department:
- _id: HeEd
doi: 10.1109/icdmw58026.2022.00093
external_id:
isi:
- '000971492200145'
file:
- access_level: open_access
checksum: c253bee25e6dfe484f96662daa119cb6
content_type: application/pdf
creator: fkarimip
date_created: 2023-02-14T07:58:26Z
date_updated: 2023-02-14T07:58:26Z
file_id: '12549'
file_name: Visual Analysis_Mobility_COVID19 - SocDM2022.pdf
file_size: 1183339
relation: main_file
success: 1
file_date_updated: 2023-02-14T07:58:26Z
has_accepted_license: '1'
isi: 1
language:
- iso: eng
month: '02'
oa: 1
oa_version: Submitted Version
publication: 2022 IEEE International Conference on Data Mining Workshops
publication_identifier:
eisbn:
- '9798350346091'
eissn:
- 2375-9259
publication_status: published
publisher: Institute of Electrical and Electronics Engineers
quality_controlled: '1'
status: public
title: Visual analytics of mobility network changes observed using mobile phone data
during COVID-19 pandemic
type: conference
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
year: '2023'
...
---
_id: '12563'
abstract:
- lang: eng
text: 'he approximate graph coloring problem, whose complexity is unresolved in
most cases, concerns finding a c-coloring of a graph that is promised to be k-colorable,
where c≥k. This problem naturally generalizes to promise graph homomorphism problems
and further to promise constraint satisfaction problems. The complexity of these
problems has recently been studied through an algebraic approach. In this paper,
we introduce two new techniques to analyze the complexity of promise CSPs: one
is based on topology and the other on adjunction. We apply these techniques, together
with the previously introduced algebraic approach, to obtain new unconditional
NP-hardness results for a significant class of approximate graph coloring and
promise graph homomorphism problems.'
acknowledgement: "Andrei Krokhin and Jakub Opršal were supported by the UK EPSRC grant
EP/R034516/1. Jakub Opršal has received funding from the European Union’s Horizon
2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement
No 101034413. Stanislav Živný was supported by a Royal Society University Research
Fellowship. 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 714532). The paper re\x1Eects only the authors’ views and not
the views of the ERC or the European Commission. "
article_processing_charge: No
article_type: original
author:
- first_name: Andrei
full_name: Krokhin, Andrei
last_name: Krokhin
- first_name: Jakub
full_name: Opršal, Jakub
id: ec596741-c539-11ec-b829-c79322a91242
last_name: Opršal
orcid: 0000-0003-1245-3456
- first_name: Marcin
full_name: Wrochna, Marcin
last_name: Wrochna
- first_name: Stanislav
full_name: Živný, Stanislav
last_name: Živný
citation:
ama: Krokhin A, Opršal J, Wrochna M, Živný S. Topology and adjunction in promise
constraint satisfaction. SIAM Journal on Computing. 2023;52(1):38-79. doi:10.1137/20m1378223
apa: Krokhin, A., Opršal, J., Wrochna, M., & Živný, S. (2023). Topology and
adjunction in promise constraint satisfaction. SIAM Journal on Computing.
Society for Industrial & Applied Mathematics. https://doi.org/10.1137/20m1378223
chicago: Krokhin, Andrei, Jakub Opršal, Marcin Wrochna, and Stanislav Živný. “Topology
and Adjunction in Promise Constraint Satisfaction.” SIAM Journal on Computing.
Society for Industrial & Applied Mathematics, 2023. https://doi.org/10.1137/20m1378223.
ieee: A. Krokhin, J. Opršal, M. Wrochna, and S. Živný, “Topology and adjunction
in promise constraint satisfaction,” SIAM Journal on Computing, vol. 52,
no. 1. Society for Industrial & Applied Mathematics, pp. 38–79, 2023.
ista: Krokhin A, Opršal J, Wrochna M, Živný S. 2023. Topology and adjunction in
promise constraint satisfaction. SIAM Journal on Computing. 52(1), 38–79.
mla: Krokhin, Andrei, et al. “Topology and Adjunction in Promise Constraint Satisfaction.”
SIAM Journal on Computing, vol. 52, no. 1, Society for Industrial &
Applied Mathematics, 2023, pp. 38–79, doi:10.1137/20m1378223.
short: A. Krokhin, J. Opršal, M. Wrochna, S. Živný, SIAM Journal on Computing 52
(2023) 38–79.
date_created: 2023-02-16T07:03:52Z
date_published: 2023-01-01T00:00:00Z
date_updated: 2023-08-01T13:11:30Z
day: '01'
department:
- _id: UlWa
doi: 10.1137/20m1378223
ec_funded: 1
external_id:
arxiv:
- '2003.11351'
isi:
- '000955000000001'
intvolume: ' 52'
isi: 1
issue: '1'
keyword:
- General Mathematics
- General Computer Science
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.48550/arXiv.2003.11351
month: '01'
oa: 1
oa_version: Preprint
page: 38-79
project:
- _id: fc2ed2f7-9c52-11eb-aca3-c01059dda49c
call_identifier: H2020
grant_number: '101034413'
name: 'IST-BRIDGE: International postdoctoral program'
publication: SIAM Journal on Computing
publication_identifier:
eissn:
- 1095-7111
issn:
- 0097-5397
publication_status: published
publisher: Society for Industrial & Applied Mathematics
quality_controlled: '1'
scopus_import: '1'
status: public
title: Topology and adjunction in promise constraint satisfaction
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 52
year: '2023'
...
---
_id: '12545'
abstract:
- lang: eng
text: We study active surface wetting using a minimal model of bacteria that takes
into account the intrinsic motility diversity of living matter. A mixture of “fast”
and “slow” self-propelled Brownian particles is considered in the presence of
a wall. The evolution of the wetting layer thickness shows an overshoot before
stationarity and its composition evolves in two stages, equilibrating after a
slow elimination of excess particles. Nonmonotonic evolutions are shown to arise
from delayed avalanches towards the dilute phase combined with the emergence of
a transient particle front.
acknowledgement: 'MR-V and RS are supported by Fondecyt Grant No. 1220536 and ANID
– Millennium Science Initiative Program – NCN19 170D, Chile. PdC is supported by
grant #2021/10139-2, Sao Paulo Research Foundation (FAPESP), Brazil.'
article_number: '014608'
article_processing_charge: No
article_type: original
author:
- first_name: Mauricio Nicolas
full_name: Rojas Vega, Mauricio Nicolas
id: 441e7207-f91f-11ec-b67c-9e6fe3d8fd6d
last_name: Rojas Vega
- first_name: Pablo
full_name: De Castro, Pablo
last_name: De Castro
- first_name: Rodrigo
full_name: Soto, Rodrigo
last_name: Soto
citation:
ama: Rojas Vega MN, De Castro P, Soto R. Wetting dynamics by mixtures of fast and
slow self-propelled particles. Physical Review E. 2023;107(1). doi:10.1103/PhysRevE.107.014608
apa: Rojas Vega, M. N., De Castro, P., & Soto, R. (2023). Wetting dynamics by
mixtures of fast and slow self-propelled particles. Physical Review E.
American Physical Society. https://doi.org/10.1103/PhysRevE.107.014608
chicago: Rojas Vega, Mauricio Nicolas, Pablo De Castro, and Rodrigo Soto. “Wetting
Dynamics by Mixtures of Fast and Slow Self-Propelled Particles.” Physical Review
E. American Physical Society, 2023. https://doi.org/10.1103/PhysRevE.107.014608.
ieee: M. N. Rojas Vega, P. De Castro, and R. Soto, “Wetting dynamics by mixtures
of fast and slow self-propelled particles,” Physical Review E, vol. 107,
no. 1. American Physical Society, 2023.
ista: Rojas Vega MN, De Castro P, Soto R. 2023. Wetting dynamics by mixtures of
fast and slow self-propelled particles. Physical Review E. 107(1), 014608.
mla: Rojas Vega, Mauricio Nicolas, et al. “Wetting Dynamics by Mixtures of Fast
and Slow Self-Propelled Particles.” Physical Review E, vol. 107, no. 1,
014608, American Physical Society, 2023, doi:10.1103/PhysRevE.107.014608.
short: M.N. Rojas Vega, P. De Castro, R. Soto, Physical Review E 107 (2023).
date_created: 2023-02-12T23:00:59Z
date_published: 2023-01-24T00:00:00Z
date_updated: 2023-08-01T13:09:45Z
day: '24'
department:
- _id: GradSch
doi: 10.1103/PhysRevE.107.014608
external_id:
arxiv:
- '2301.01856'
isi:
- '000963909800006'
intvolume: ' 107'
isi: 1
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.48550/arXiv.2301.01856
month: '01'
oa: 1
oa_version: Preprint
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: Wetting dynamics by mixtures of fast and slow self-propelled particles
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 107
year: '2023'
...
---
_id: '12427'
abstract:
- lang: eng
text: 'Let k be a number field and X a smooth, geometrically integral quasi-projective
variety over k. For any linear algebraic group G over k and any G-torsor g : Z
→ X, we observe that if the étale-Brauer obstruction is the only one for strong
approximation off a finite set of places S for all twists of Z by elements in
H^1(k, G), then the étale-Brauer obstruction is the only one for strong approximation
off a finite set of places S for X. As an application, we show that any homogeneous
space of the form G/H with G a connected linear algebraic group over k satisfies
strong approximation off the infinite places with étale-Brauer obstruction, under
some compactness assumptions when k is totally real. We also prove more refined
strong approximation results for homogeneous spaces of the form G/H with G semisimple
simply connected and H finite, using the theory of torsors and descent.'
article_processing_charge: No
article_type: original
author:
- first_name: Francesca
full_name: Balestrieri, Francesca
id: 3ACCD756-F248-11E8-B48F-1D18A9856A87
last_name: Balestrieri
citation:
ama: Balestrieri F. Some remarks on strong approximation and applications to homogeneous
spaces of linear algebraic groups. Proceedings of the American Mathematical
Society. 2023;151(3):907-914. doi:10.1090/proc/15239
apa: Balestrieri, F. (2023). Some remarks on strong approximation and applications
to homogeneous spaces of linear algebraic groups. Proceedings of the American
Mathematical Society. American Mathematical Society. https://doi.org/10.1090/proc/15239
chicago: Balestrieri, Francesca. “Some Remarks on Strong Approximation and Applications
to Homogeneous Spaces of Linear Algebraic Groups.” Proceedings of the American
Mathematical Society. American Mathematical Society, 2023. https://doi.org/10.1090/proc/15239.
ieee: F. Balestrieri, “Some remarks on strong approximation and applications to
homogeneous spaces of linear algebraic groups,” Proceedings of the American
Mathematical Society, vol. 151, no. 3. American Mathematical Society, pp.
907–914, 2023.
ista: Balestrieri F. 2023. Some remarks on strong approximation and applications
to homogeneous spaces of linear algebraic groups. Proceedings of the American
Mathematical Society. 151(3), 907–914.
mla: Balestrieri, Francesca. “Some Remarks on Strong Approximation and Applications
to Homogeneous Spaces of Linear Algebraic Groups.” Proceedings of the American
Mathematical Society, vol. 151, no. 3, American Mathematical Society, 2023,
pp. 907–14, doi:10.1090/proc/15239.
short: F. Balestrieri, Proceedings of the American Mathematical Society 151 (2023)
907–914.
date_created: 2023-01-29T23:00:58Z
date_published: 2023-01-01T00:00:00Z
date_updated: 2023-08-01T13:03:32Z
day: '01'
department:
- _id: TiBr
doi: 10.1090/proc/15239
external_id:
isi:
- '000898440000001'
intvolume: ' 151'
isi: 1
issue: '3'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://hal.science/hal-03013498/
month: '01'
oa: 1
oa_version: Preprint
page: 907-914
publication: Proceedings of the American Mathematical Society
publication_identifier:
eissn:
- 1088-6826
issn:
- 0002-9939
publication_status: published
publisher: American Mathematical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Some remarks on strong approximation and applications to homogeneous spaces
of linear algebraic groups
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 151
year: '2023'
...
---
_id: '12542'
abstract:
- lang: eng
text: In this issue of Neuron, Espinosa-Medina et al.1 present the TEMPO (Temporal
Encoding and Manipulation in a Predefined Order) system, which enables the marking
and genetic manipulation of sequentially generated cell lineages in vertebrate
species in vivo.
article_processing_charge: No
article_type: letter_note
author:
- first_name: Ana
full_name: Villalba Requena, Ana
id: 68cb85a0-39f7-11eb-9559-9aaab4f6a247
last_name: Villalba Requena
orcid: 0000-0002-5615-5277
- first_name: Simon
full_name: Hippenmeyer, Simon
id: 37B36620-F248-11E8-B48F-1D18A9856A87
last_name: Hippenmeyer
orcid: 0000-0003-2279-1061
citation:
ama: Villalba Requena A, Hippenmeyer S. Going back in time with TEMPO. Neuron.
2023;111(3):291-293. doi:10.1016/j.neuron.2023.01.006
apa: Villalba Requena, A., & Hippenmeyer, S. (2023). Going back in time with
TEMPO. Neuron. Elsevier. https://doi.org/10.1016/j.neuron.2023.01.006
chicago: Villalba Requena, Ana, and Simon Hippenmeyer. “Going Back in Time with
TEMPO.” Neuron. Elsevier, 2023. https://doi.org/10.1016/j.neuron.2023.01.006.
ieee: A. Villalba Requena and S. Hippenmeyer, “Going back in time with TEMPO,” Neuron,
vol. 111, no. 3. Elsevier, pp. 291–293, 2023.
ista: Villalba Requena A, Hippenmeyer S. 2023. Going back in time with TEMPO. Neuron.
111(3), 291–293.
mla: Villalba Requena, Ana, and Simon Hippenmeyer. “Going Back in Time with TEMPO.”
Neuron, vol. 111, no. 3, Elsevier, 2023, pp. 291–93, doi:10.1016/j.neuron.2023.01.006.
short: A. Villalba Requena, S. Hippenmeyer, Neuron 111 (2023) 291–293.
date_created: 2023-02-12T23:00:58Z
date_published: 2023-02-01T00:00:00Z
date_updated: 2023-08-01T13:10:27Z
day: '01'
department:
- _id: SiHi
doi: 10.1016/j.neuron.2023.01.006
external_id:
isi:
- '000994473300001'
intvolume: ' 111'
isi: 1
issue: '3'
language:
- iso: eng
month: '02'
oa_version: None
page: 291-293
publication: Neuron
publication_identifier:
eissn:
- 1097-4199
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Going back in time with TEMPO
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 111
year: '2023'
...
---
_id: '12567'
abstract:
- lang: eng
text: Single-molecule localization microscopy (SMLM) greatly advances structural
studies of diverse biological tissues. For example, presynaptic active zone (AZ)
nanotopology is resolved in increasing detail. Immunofluorescence imaging of AZ
proteins usually relies on epitope preservation using aldehyde-based immunocompetent
fixation. Cryofixation techniques, such as high-pressure freezing (HPF) and freeze
substitution (FS), are widely used for ultrastructural studies of presynaptic
architecture in electron microscopy (EM). HPF/FS demonstrated nearer-to-native
preservation of AZ ultrastructure, e.g., by facilitating single filamentous structures.
Here, we present a protocol combining the advantages of HPF/FS and direct stochastic
optical reconstruction microscopy (dSTORM) to quantify nanotopology of the AZ
scaffold protein Bruchpilot (Brp) at neuromuscular junctions (NMJs) of Drosophila
melanogaster. Using this standardized model, we tested for preservation of Brp
clusters in different FS protocols compared to classical aldehyde fixation. In
HPF/FS samples, presynaptic boutons were structurally well preserved with ~22%
smaller Brp clusters that allowed quantification of subcluster topology. In summary,
we established a standardized near-to-native preparation and immunohistochemistry
protocol for SMLM analyses of AZ protein clusters in a defined model synapse.
Our protocol could be adapted to study protein arrangements at single-molecule
resolution in other intact tissue preparations.
acknowledgement: This work has been supported by funding of the German Research Foundation
(Deutsche Forschungsgemeinschaft [DFG], CRC 166, Project B06 to M.H. and A.-L.S.,
FOR 3004 SYNABS P1 to M.H.) and by the Interdisciplinary Clinical Research Center
(IZKF) Würzburg (Z-3/69 to M.M.P., N-229 to M.H. and A.-L.S.). A.M. is funded by
the University of Leipzig Clinician Scientist Program.
article_number: '2128'
article_processing_charge: No
article_type: original
author:
- first_name: Achmed
full_name: Mrestani, Achmed
last_name: Mrestani
- first_name: Katharina
full_name: Lichter, Katharina
id: 39302e62-fcfc-11ec-8196-8b01447dbd3d
last_name: Lichter
- first_name: Anna Leena
full_name: Sirén, Anna Leena
last_name: Sirén
- first_name: Manfred
full_name: Heckmann, Manfred
last_name: Heckmann
- first_name: Mila M.
full_name: Paul, Mila M.
last_name: Paul
- first_name: Martin
full_name: Pauli, Martin
last_name: Pauli
citation:
ama: Mrestani A, Lichter K, Sirén AL, Heckmann M, Paul MM, Pauli M. Single-molecule
localization microscopy of presynaptic active zones in Drosophila melanogaster
after rapid cryofixation. International Journal of Molecular Sciences.
2023;24(3). doi:10.3390/ijms24032128
apa: Mrestani, A., Lichter, K., Sirén, A. L., Heckmann, M., Paul, M. M., & Pauli,
M. (2023). Single-molecule localization microscopy of presynaptic active zones
in Drosophila melanogaster after rapid cryofixation. International Journal
of Molecular Sciences. MDPI. https://doi.org/10.3390/ijms24032128
chicago: Mrestani, Achmed, Katharina Lichter, Anna Leena Sirén, Manfred Heckmann,
Mila M. Paul, and Martin Pauli. “Single-Molecule Localization Microscopy of Presynaptic
Active Zones in Drosophila Melanogaster after Rapid Cryofixation.” International
Journal of Molecular Sciences. MDPI, 2023. https://doi.org/10.3390/ijms24032128.
ieee: A. Mrestani, K. Lichter, A. L. Sirén, M. Heckmann, M. M. Paul, and M. Pauli,
“Single-molecule localization microscopy of presynaptic active zones in Drosophila
melanogaster after rapid cryofixation,” International Journal of Molecular
Sciences, vol. 24, no. 3. MDPI, 2023.
ista: Mrestani A, Lichter K, Sirén AL, Heckmann M, Paul MM, Pauli M. 2023. Single-molecule
localization microscopy of presynaptic active zones in Drosophila melanogaster
after rapid cryofixation. International Journal of Molecular Sciences. 24(3),
2128.
mla: Mrestani, Achmed, et al. “Single-Molecule Localization Microscopy of Presynaptic
Active Zones in Drosophila Melanogaster after Rapid Cryofixation.” International
Journal of Molecular Sciences, vol. 24, no. 3, 2128, MDPI, 2023, doi:10.3390/ijms24032128.
short: A. Mrestani, K. Lichter, A.L. Sirén, M. Heckmann, M.M. Paul, M. Pauli, International
Journal of Molecular Sciences 24 (2023).
date_created: 2023-02-19T23:00:56Z
date_published: 2023-01-21T00:00:00Z
date_updated: 2023-08-01T13:16:36Z
day: '21'
ddc:
- '570'
department:
- _id: PeJo
doi: 10.3390/ijms24032128
external_id:
isi:
- '000930324700001'
file:
- access_level: open_access
checksum: 69a35dcd3e0249f902ab881b06ee2e58
content_type: application/pdf
creator: dernst
date_created: 2023-02-20T07:09:27Z
date_updated: 2023-02-20T07:09:27Z
file_id: '12569'
file_name: 2023_IJMS_Mrestani.pdf
file_size: 2823025
relation: main_file
success: 1
file_date_updated: 2023-02-20T07:09:27Z
has_accepted_license: '1'
intvolume: ' 24'
isi: 1
issue: '3'
language:
- iso: eng
license: https://creativecommons.org/licenses/by/4.0/
month: '01'
oa: 1
oa_version: Published Version
publication: International Journal of Molecular Sciences
publication_identifier:
eissn:
- 1422-0067
publication_status: published
publisher: MDPI
quality_controlled: '1'
scopus_import: '1'
status: public
title: Single-molecule localization microscopy of presynaptic active zones in Drosophila
melanogaster after rapid cryofixation
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: 24
year: '2023'
...
---
_id: '12566'
abstract:
- lang: eng
text: "Approximate agreement is one of the few variants of consensus that can be
solved in a wait-free manner in asynchronous systems where processes communicate
by reading and writing to shared memory. In this work, we consider a natural generalisation
of approximate agreement on arbitrary undirected connected graphs. Each process
is given a node of the graph as input and, if non-faulty, must output a node such
that\r\n– all the outputs are within distance 1 of one another, and\r\n– each
output value lies on a shortest path between two input values.\r\nFrom prior work,
it is known that there is no wait-free algorithm among processes for this problem
on any cycle of length , by reduction from 2-set agreement (Castañeda et al.,
2018).\r\n\r\nIn this work, we investigate the solvability of this task on general
graphs. We give a new, direct proof of the impossibility of approximate agreement
on cycles of length , via a generalisation of Sperner's Lemma to convex polygons.
We also extend the reduction from 2-set agreement to a larger class of graphs,
showing that approximate agreement on these graphs is unsolvable. On the positive
side, we present a wait-free algorithm for a different class of graphs, which
properly contains the class of chordal graphs."
acknowledgement: 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. 805223 ScaleML) and under the Marie Skłodowska-Curie grant
agreement No. 840605 and from the Natural Sciences and Engineering Research Council
of Canada grant RGPIN-2020-04178. Part of this work was done while Faith Ellen was
visiting IST Austria.
article_number: '113733'
article_processing_charge: Yes (via OA deal)
article_type: original
author:
- 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: Faith
full_name: Ellen, Faith
last_name: Ellen
- first_name: Joel
full_name: Rybicki, Joel
id: 334EFD2E-F248-11E8-B48F-1D18A9856A87
last_name: Rybicki
orcid: 0000-0002-6432-6646
citation:
ama: Alistarh D-A, Ellen F, Rybicki J. Wait-free approximate agreement on graphs.
Theoretical Computer Science. 2023;948(2). doi:10.1016/j.tcs.2023.113733
apa: Alistarh, D.-A., Ellen, F., & Rybicki, J. (2023). Wait-free approximate
agreement on graphs. Theoretical Computer Science. Elsevier. https://doi.org/10.1016/j.tcs.2023.113733
chicago: Alistarh, Dan-Adrian, Faith Ellen, and Joel Rybicki. “Wait-Free Approximate
Agreement on Graphs.” Theoretical Computer Science. Elsevier, 2023. https://doi.org/10.1016/j.tcs.2023.113733.
ieee: D.-A. Alistarh, F. Ellen, and J. Rybicki, “Wait-free approximate agreement
on graphs,” Theoretical Computer Science, vol. 948, no. 2. Elsevier, 2023.
ista: Alistarh D-A, Ellen F, Rybicki J. 2023. Wait-free approximate agreement on
graphs. Theoretical Computer Science. 948(2), 113733.
mla: Alistarh, Dan-Adrian, et al. “Wait-Free Approximate Agreement on Graphs.” Theoretical
Computer Science, vol. 948, no. 2, 113733, Elsevier, 2023, doi:10.1016/j.tcs.2023.113733.
short: D.-A. Alistarh, F. Ellen, J. Rybicki, Theoretical Computer Science 948 (2023).
date_created: 2023-02-19T23:00:55Z
date_published: 2023-02-28T00:00:00Z
date_updated: 2023-08-01T13:17:20Z
day: '28'
ddc:
- '000'
department:
- _id: DaAl
doi: 10.1016/j.tcs.2023.113733
ec_funded: 1
external_id:
isi:
- '000934262700001'
file:
- access_level: open_access
checksum: b27c5290f2f1500c403494364ee39c9f
content_type: application/pdf
creator: dernst
date_created: 2023-02-20T07:30:20Z
date_updated: 2023-02-20T07:30:20Z
file_id: '12570'
file_name: 2023_TheoreticalCompScience_Alistarh.pdf
file_size: 602333
relation: main_file
success: 1
file_date_updated: 2023-02-20T07:30:20Z
has_accepted_license: '1'
intvolume: ' 948'
isi: 1
issue: '2'
language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
project:
- _id: 268A44D6-B435-11E9-9278-68D0E5697425
call_identifier: H2020
grant_number: '805223'
name: Elastic Coordination for Scalable Machine Learning
- _id: 26A5D39A-B435-11E9-9278-68D0E5697425
call_identifier: H2020
grant_number: '840605'
name: Coordination in constrained and natural distributed systems
publication: Theoretical Computer Science
publication_identifier:
issn:
- 0304-3975
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Wait-free approximate agreement on graphs
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: 948
year: '2023'
...
---
_id: '12681'
abstract:
- lang: eng
text: The dissolution of minute concentration of polymers in wall-bounded flows
is well-known for its unparalleled ability to reduce turbulent friction drag.
Another phenomenon, elasto-inertial turbulence (EIT), has been far less studied
even though elastic instabilities have already been observed in dilute polymer
solutions before the discovery of polymer drag reduction. EIT is a chaotic state
driven by polymer dynamics that is observed across many orders of magnitude in
Reynolds number. It involves energy transfer from small elastic scales to large
flow scales. The investigation of the mechanisms of EIT offers the possibility
to better understand other complex phenomena such as elastic turbulence and maximum
drag reduction. In this review, we survey recent research efforts that are advancing
the understanding of the dynamics of EIT. We highlight the fundamental differences
between EIT and Newtonian/inertial turbulence from the perspective of experiments,
numerical simulations, instabilities, and coherent structures. Finally, we discuss
the possible links between EIT and elastic turbulence and polymer drag reduction,
as well as the remaining challenges in unraveling the self-sustaining mechanism
of EIT.
acknowledgement: Part of the material presented here is based upon work supported
by the National Science Foundation CBET (Chemical, Bioengineering, Environmental
and Transport Systems) award 1805636 (to Y.D.), the Binational Science Foundation
award 2016145 (to Y.D. and Victor Steinberg), a FRIA (Fund for Research Training
in Industry and Agriculture) grant of the Belgian F.R.S.-FNRS (National Fund for
Scientific Research) (to V.E.T.), the Marie Curie FP7 Career Integration grant PCIG10-GA-2011-304073
(to V.E.T.), and the Fonds spéciaux pour la recherche grant C-13/19 of the University
of Liege (to V.E.T.). Computational resources have been provided by the Consortium
des Équipements de Calcul Intensif (CECI) funded by the Belgian F.R.S.-FNRS, the
Vermont Advanced Computing Center (VACC), the Partnership for Advanced Computing
in Europe (PRACE), and the Tier-1 supercomputer of the Fédération Wallonie-Bruxelles
funded by the Walloon Region (grant agreement 117545).
article_processing_charge: No
article_type: original
author:
- first_name: Yves
full_name: Dubief, Yves
last_name: Dubief
- first_name: Vincent E.
full_name: Terrapon, Vincent E.
last_name: Terrapon
- first_name: Björn
full_name: Hof, Björn
id: 3A374330-F248-11E8-B48F-1D18A9856A87
last_name: Hof
orcid: 0000-0003-2057-2754
citation:
ama: Dubief Y, Terrapon VE, Hof B. Elasto-inertial turbulence. Annual Review
of Fluid Mechanics. 2023;55(1):675-705. doi:10.1146/annurev-fluid-032822-025933
apa: Dubief, Y., Terrapon, V. E., & Hof, B. (2023). Elasto-inertial turbulence.
Annual Review of Fluid Mechanics. Annual Reviews. https://doi.org/10.1146/annurev-fluid-032822-025933
chicago: Dubief, Yves, Vincent E. Terrapon, and Björn Hof. “Elasto-Inertial Turbulence.”
Annual Review of Fluid Mechanics. Annual Reviews, 2023. https://doi.org/10.1146/annurev-fluid-032822-025933.
ieee: Y. Dubief, V. E. Terrapon, and B. Hof, “Elasto-inertial turbulence,” Annual
Review of Fluid Mechanics, vol. 55, no. 1. Annual Reviews, pp. 675–705, 2023.
ista: Dubief Y, Terrapon VE, Hof B. 2023. Elasto-inertial turbulence. Annual Review
of Fluid Mechanics. 55(1), 675–705.
mla: Dubief, Yves, et al. “Elasto-Inertial Turbulence.” Annual Review of Fluid
Mechanics, vol. 55, no. 1, Annual Reviews, 2023, pp. 675–705, doi:10.1146/annurev-fluid-032822-025933.
short: Y. Dubief, V.E. Terrapon, B. Hof, Annual Review of Fluid Mechanics 55 (2023)
675–705.
date_created: 2023-02-26T23:01:01Z
date_published: 2023-01-19T00:00:00Z
date_updated: 2023-08-01T13:19:47Z
day: '19'
ddc:
- '530'
department:
- _id: BjHo
doi: 10.1146/annurev-fluid-032822-025933
external_id:
isi:
- '000915418100026'
file:
- access_level: open_access
checksum: 2666aa3af2a25252d35eb8681d3edff7
content_type: application/pdf
creator: dernst
date_created: 2023-02-27T09:23:02Z
date_updated: 2023-02-27T09:23:02Z
file_id: '12690'
file_name: 2023_AnnReviewFluidMech_Dubief.pdf
file_size: 4036706
relation: main_file
success: 1
file_date_updated: 2023-02-27T09:23:02Z
has_accepted_license: '1'
intvolume: ' 55'
isi: 1
issue: '1'
language:
- iso: eng
month: '01'
oa: 1
oa_version: Published Version
page: 675-705
publication: Annual Review of Fluid Mechanics
publication_identifier:
eissn:
- 1545-4479
issn:
- 0066-4189
publication_status: published
publisher: Annual Reviews
quality_controlled: '1'
scopus_import: '1'
status: public
title: Elasto-inertial turbulence
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: 55
year: '2023'
...
---
_id: '12682'
abstract:
- lang: eng
text: 'Since the seminal studies by Osborne Reynolds in the nineteenth century,
pipe flow has served as a primary prototype for investigating the transition to
turbulence in wall-bounded flows. Despite the apparent simplicity of this flow,
various facets of this problem have occupied researchers for more than a century.
Here we review insights from three distinct perspectives: (a) stability and susceptibility
of laminar flow, (b) phase transition and spatiotemporal dynamics, and (c) dynamical
systems analysis of the Navier—Stokes equations. We show how these perspectives
have led to a profound understanding of the onset of turbulence in pipe flow.
Outstanding open points, applications to flows of complex fluids, and similarities
with other wall-bounded flows are discussed.'
acknowledgement: 'The authors are very grateful to Laurette Tuckerman for her helpful
comments. This work was supported by grants from the Simons Foundation (grant numbers
662985, D.B., and 662960, B.H.) and the Priority Programme “SPP 1881: Turbulent
Superstructures” of the Deutsche Forschungsgemeinschaft (grant number AV120/3-2
to M.A.).'
article_processing_charge: No
article_type: original
author:
- first_name: Marc
full_name: Avila, Marc
last_name: Avila
- first_name: Dwight
full_name: Barkley, Dwight
last_name: Barkley
- first_name: Björn
full_name: Hof, Björn
id: 3A374330-F248-11E8-B48F-1D18A9856A87
last_name: Hof
orcid: 0000-0003-2057-2754
citation:
ama: Avila M, Barkley D, Hof B. Transition to turbulence in pipe flow. Annual
Review of Fluid Mechanics. 2023;55:575-602. doi:10.1146/annurev-fluid-120720-025957
apa: Avila, M., Barkley, D., & Hof, B. (2023). Transition to turbulence in pipe
flow. Annual Review of Fluid Mechanics. Annual Reviews. https://doi.org/10.1146/annurev-fluid-120720-025957
chicago: Avila, Marc, Dwight Barkley, and Björn Hof. “Transition to Turbulence in
Pipe Flow.” Annual Review of Fluid Mechanics. Annual Reviews, 2023. https://doi.org/10.1146/annurev-fluid-120720-025957.
ieee: M. Avila, D. Barkley, and B. Hof, “Transition to turbulence in pipe flow,”
Annual Review of Fluid Mechanics, vol. 55. Annual Reviews, pp. 575–602,
2023.
ista: Avila M, Barkley D, Hof B. 2023. Transition to turbulence in pipe flow. Annual
Review of Fluid Mechanics. 55, 575–602.
mla: Avila, Marc, et al. “Transition to Turbulence in Pipe Flow.” Annual Review
of Fluid Mechanics, vol. 55, Annual Reviews, 2023, pp. 575–602, doi:10.1146/annurev-fluid-120720-025957.
short: M. Avila, D. Barkley, B. Hof, Annual Review of Fluid Mechanics 55 (2023)
575–602.
date_created: 2023-02-26T23:01:01Z
date_published: 2023-01-19T00:00:00Z
date_updated: 2023-08-01T13:20:30Z
day: '19'
ddc:
- '530'
department:
- _id: BjHo
doi: 10.1146/annurev-fluid-120720-025957
external_id:
isi:
- '000915418100023'
file:
- access_level: open_access
checksum: f99ef30f76cabc9e5e1946b380c16db4
content_type: application/pdf
creator: dernst
date_created: 2023-02-27T09:35:52Z
date_updated: 2023-02-27T09:35:52Z
file_id: '12691'
file_name: 2023_AnnReviewFluidMech_Avila.pdf
file_size: 4769537
relation: main_file
success: 1
file_date_updated: 2023-02-27T09:35:52Z
has_accepted_license: '1'
intvolume: ' 55'
isi: 1
language:
- iso: eng
month: '01'
oa: 1
oa_version: Published Version
page: 575-602
project:
- _id: 238598C6-32DE-11EA-91FC-C7463DDC885E
grant_number: '662960'
name: 'Revisiting the Turbulence Problem Using Statistical Mechanics: Experimental
Studies on Transitional and Turbulent Flows'
publication: Annual Review of Fluid Mechanics
publication_identifier:
issn:
- 0066-4189
publication_status: published
publisher: Annual Reviews
quality_controlled: '1'
scopus_import: '1'
status: public
title: Transition to turbulence in pipe flow
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: 55
year: '2023'
...
---
_id: '12708'
abstract:
- lang: eng
text: Self-organisation is the spontaneous emergence of spatio-temporal structures
and patterns from the interaction of smaller individual units. Examples are found
across many scales in very different systems and scientific disciplines, from
physics, materials science and robotics to biology, geophysics and astronomy.
Recent research has highlighted how self-organisation can be both mediated and
controlled by confinement. Confinement is an action over a system that limits
its units’ translational and rotational degrees of freedom, thus also influencing
the system's phase space probability density; it can function as either a catalyst
or inhibitor of self-organisation. Confinement can then become a means to actively
steer the emergence or suppression of collective phenomena in space and time.
Here, to provide a common framework and perspective for future research, we examine
the role of confinement in the self-organisation of soft-matter systems and identify
overarching scientific challenges that need to be addressed to harness its full
scientific and technological potential in soft matter and related fields. By drawing
analogies with other disciplines, this framework will accelerate a common deeper
understanding of self-organisation and trigger the development of innovative strategies
to steer it using confinement, with impact on, e.g., the design of smarter materials,
tissue engineering for biomedicine and in guiding active matter.
acknowledgement: 'All authors are grateful to the Lorentz Center for providing a venue
for stimulating scientific discussions and to sponsor a workshop on the topic of
“Self-organisation under confinement” along with the 4TU Federation, the J. M. Burgers
Center for Fluid Dynamics and the MESA+ Institute for Nanotechnology at the University
of Twente. The authors are also grateful to Paolo Malgaretti, Federico Toschi, Twan
Wilting and Jaap den Toonder for valuable feedback. N. A. acknowledges financial
support from the Portuguese Foundation for Science and Technology (FCT) under Contracts
no. PTDC/FIS-MAC/28146/2017 (LISBOA-01-0145-FEDER-028146), UIDB/00618/2020, and
UIDP/00618/2020. L. M. C. J. acknowledges financial support from the Netherlands
Organisation for Scientific Research (NWO) through a START-UP, Physics Projectruimte,
and Vidi grant. I. C. was supported in part by a grant from by the Army Research
Office (ARO W911NF-18-1-0032) and the Cornell Center for Materials Research (DMR-1719875).
O. D. acknowledges funding by the Agence Nationale pour la Recherche under Grant
No ANR-18-CE33-0006 MSR. M. D. acknowledges financial support from the European
Research Council (Grant No. ERC-2019-ADV-H2020 884902 SoftML). W. M. D. acknowledges
funding from a BBSRC New Investigator Grant (BB/R018383/1). S. G. was supported
by DARPA Young Faculty Award # D19AP00046, and NSF IIS grant # 1955210. H. G. acknowledges
financial support from the Netherlands Organisation for Scientific Research (NWO)
through Veni Grant No. 680-47-451. R. G. acknowledges support from the Max Planck
School Matter to Life and the MaxSynBio Consortium, which are jointly funded by
the Federal Ministry of Education and Research (BMBF) of Germany, and the Max Planck
Society. L. I. acknowledges funding from the Horizon Europe ERC Consolidator Grant
ACTIVE_ ADAPTIVE (Grant No. 101001514). G. H. K. gratefully acknowledges the NWO
Talent Programme which is financed by the Dutch Research Council (project number
VI.C.182.004). H. L. and N. V. acknowledge funding from the Deutsche Forschungsgemeinschaft
(DFG) under grant numbers VO 1824/8-1 and LO 418/22-1. R. M. acknowledges funding
from the Deutsche Forschungsgemeinschaft (DFG) under grant number ME 1535/13-1 and
ME 1535/16-1. M. P. acknowledges funding from the Ramón y Cajal Program, grant no.
RYC-2018-02534, and the Leverhulme Trust, grant no. RPG-2018-345. A. Š. acknowledges
financial support from the European Research Council (Grant No. ERC-2018-STG-H2020
802960 NEPA). A. S. acknowledges funding from an ATTRACT Investigator Grant (No.
A17/MS/11572821/MBRACE) from the Luxembourg National Research Fund. C. S. acknowledges
funding from the French Agence Nationale pour la Recherche (ANR), grant ANR-14-CE090006
and ANR-12-BSV5001401, by the Fondation pour la Recherche Médicale (FRM), grant
DEQ20120323737, and from the PIC3I of Institut Curie, France. I. T. acknowledges
funding from grant IED2019-00058I/AEI/10.13039/501100011033. M. P. and I. T. also
acknowledge funding from grant PID2019-104232B-I00/AEI/10.13039/501100011033 and
from the H2020 MSCA ITN PHYMOT (Grant agreement No 95591). I. Z. acknowledges funding
from Project PID2020-114839GB-I00 MINECO/AEI/FEDER, UE. A. M. acknowledges funding
from the European Research Council, Starting Grant No. 678573 NanoPacks. G. V. acknowledges
sponsorship for this work by the US Office of Naval Research Global (Award No. N62909-18-1-2170).'
article_processing_charge: No
article_type: original
author:
- first_name: Nuno A.M.
full_name: Araújo, Nuno A.M.
last_name: Araújo
- first_name: Liesbeth M.C.
full_name: Janssen, Liesbeth M.C.
last_name: Janssen
- first_name: Thomas
full_name: Barois, Thomas
last_name: Barois
- first_name: Guido
full_name: Boffetta, Guido
last_name: Boffetta
- first_name: Itai
full_name: Cohen, Itai
last_name: Cohen
- first_name: Alessandro
full_name: Corbetta, Alessandro
last_name: Corbetta
- first_name: Olivier
full_name: Dauchot, Olivier
last_name: Dauchot
- first_name: Marjolein
full_name: Dijkstra, Marjolein
last_name: Dijkstra
- first_name: William M.
full_name: Durham, William M.
last_name: Durham
- first_name: Audrey
full_name: Dussutour, Audrey
last_name: Dussutour
- first_name: Simon
full_name: Garnier, Simon
last_name: Garnier
- first_name: Hanneke
full_name: Gelderblom, Hanneke
last_name: Gelderblom
- first_name: Ramin
full_name: Golestanian, Ramin
last_name: Golestanian
- first_name: Lucio
full_name: Isa, Lucio
last_name: Isa
- first_name: Gijsje H.
full_name: Koenderink, Gijsje H.
last_name: Koenderink
- first_name: Hartmut
full_name: Löwen, Hartmut
last_name: Löwen
- first_name: Ralf
full_name: Metzler, Ralf
last_name: Metzler
- first_name: Marco
full_name: Polin, Marco
last_name: Polin
- first_name: C. Patrick
full_name: Royall, C. Patrick
last_name: Royall
- first_name: Anđela
full_name: Šarić, Anđela
id: bf63d406-f056-11eb-b41d-f263a6566d8b
last_name: Šarić
orcid: 0000-0002-7854-2139
- first_name: Anupam
full_name: Sengupta, Anupam
last_name: Sengupta
- first_name: Cécile
full_name: Sykes, Cécile
last_name: Sykes
- first_name: Vito
full_name: Trianni, Vito
last_name: Trianni
- first_name: Idan
full_name: Tuval, Idan
last_name: Tuval
- first_name: Nicolas
full_name: Vogel, Nicolas
last_name: Vogel
- first_name: Julia M.
full_name: Yeomans, Julia M.
last_name: Yeomans
- first_name: Iker
full_name: Zuriguel, Iker
last_name: Zuriguel
- first_name: Alvaro
full_name: Marin, Alvaro
last_name: Marin
- first_name: Giorgio
full_name: Volpe, Giorgio
last_name: Volpe
citation:
ama: Araújo NAM, Janssen LMC, Barois T, et al. Steering self-organisation through
confinement. Soft Matter. 2023;19:1695-1704. doi:10.1039/d2sm01562e
apa: Araújo, N. A. M., Janssen, L. M. C., Barois, T., Boffetta, G., Cohen, I., Corbetta,
A., … Volpe, G. (2023). Steering self-organisation through confinement. Soft
Matter. Royal Society of Chemistry. https://doi.org/10.1039/d2sm01562e
chicago: Araújo, Nuno A.M., Liesbeth M.C. Janssen, Thomas Barois, Guido Boffetta,
Itai Cohen, Alessandro Corbetta, Olivier Dauchot, et al. “Steering Self-Organisation
through Confinement.” Soft Matter. Royal Society of Chemistry, 2023. https://doi.org/10.1039/d2sm01562e.
ieee: N. A. M. Araújo et al., “Steering self-organisation through confinement,”
Soft Matter, vol. 19. Royal Society of Chemistry, pp. 1695–1704, 2023.
ista: Araújo NAM, Janssen LMC, Barois T, Boffetta G, Cohen I, Corbetta A, Dauchot
O, Dijkstra M, Durham WM, Dussutour A, Garnier S, Gelderblom H, Golestanian R,
Isa L, Koenderink GH, Löwen H, Metzler R, Polin M, Royall CP, Šarić A, Sengupta
A, Sykes C, Trianni V, Tuval I, Vogel N, Yeomans JM, Zuriguel I, Marin A, Volpe
G. 2023. Steering self-organisation through confinement. Soft Matter. 19, 1695–1704.
mla: Araújo, Nuno A. M., et al. “Steering Self-Organisation through Confinement.”
Soft Matter, vol. 19, Royal Society of Chemistry, 2023, pp. 1695–704, doi:10.1039/d2sm01562e.
short: N.A.M. Araújo, L.M.C. Janssen, T. Barois, G. Boffetta, I. Cohen, A. Corbetta,
O. Dauchot, M. Dijkstra, W.M. Durham, A. Dussutour, S. Garnier, H. Gelderblom,
R. Golestanian, L. Isa, G.H. Koenderink, H. Löwen, R. Metzler, M. Polin, C.P.
Royall, A. Šarić, A. Sengupta, C. Sykes, V. Trianni, I. Tuval, N. Vogel, J.M.
Yeomans, I. Zuriguel, A. Marin, G. Volpe, Soft Matter 19 (2023) 1695–1704.
date_created: 2023-03-05T23:01:06Z
date_published: 2023-02-06T00:00:00Z
date_updated: 2023-08-01T13:28:39Z
day: '06'
ddc:
- '540'
department:
- _id: AnSa
doi: 10.1039/d2sm01562e
ec_funded: 1
external_id:
arxiv:
- '2204.10059'
isi:
- '000940388100001'
file:
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date_updated: 2023-03-07T09:19:41Z
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file_size: 3581939
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intvolume: ' 19'
isi: 1
language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
page: 1695-1704
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
call_identifier: H2020
grant_number: '802960'
name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
publication: Soft Matter
publication_identifier:
eissn:
- 1744-6848
issn:
- 1744-683X
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Steering self-organisation through confinement
tmp:
image: /images/cc_by.png
legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
short: CC BY (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 19
year: '2023'
...
---
_id: '12702'
abstract:
- lang: eng
text: Hydrocarbon mixtures are extremely abundant in the Universe, and diamond formation
from them can play a crucial role in shaping the interior structure and evolution
of planets. With first-principles accuracy, we first estimate the melting line
of diamond, and then reveal the nature of chemical bonding in hydrocarbons at
extreme conditions. We finally establish the pressure-temperature phase boundary
where it is thermodynamically possible for diamond to form from hydrocarbon mixtures
with different atomic fractions of carbon. Notably, here we show a depletion zone
at pressures above 200 GPa and temperatures below 3000 K-3500 K where diamond
formation is thermodynamically favorable regardless of the carbon atomic fraction,
due to a phase separation mechanism. The cooler condition of the interior of Neptune
compared to Uranus means that the former is much more likely to contain the depletion
zone. Our findings can help explain the dichotomy of the two ice giants manifested
by the low luminosity of Uranus, and lead to a better understanding of (exo-)planetary
formation and evolution.
acknowledgement: BC thanks Daan Frenkel for stimulating discussions. We thank Aleks
Reinhardt, Daan Frenkel, Marius Millot, Federica Coppari, Rhys Bunting, and Chris
J. Pickard for critically reading the manuscript and providing useful suggestions.
BC acknowledges resources provided by the Cambridge Tier-2 system operated by the
University of Cambridge Research Computing Service funded by EPSRC Tier-2 capital
grant EP/P020259/1. SH acknowledges support from LDRD 19-ERD-031 and computing support
from the Lawrence Livermore National Laboratory (LLNL) Institutional Computing Grand
Challenge program. Lawrence Livermore National Laboratory is operated by Lawrence
Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear
Security Administration under Contract DE-AC52-07NA27344. MB acknowledges support
by the European Horizon 2020 program within the Marie Skłodowska-Curie actions (xICE
grant number 894725), funding from the NOMIS foundation and computational resources
at the North-German Supercomputing Alliance (HLRN) facilities.
article_number: '1104'
article_processing_charge: No
article_type: original
author:
- first_name: Bingqing
full_name: Cheng, Bingqing
id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
last_name: Cheng
orcid: 0000-0002-3584-9632
- first_name: Sebastien
full_name: Hamel, Sebastien
last_name: Hamel
- first_name: Mandy
full_name: Bethkenhagen, Mandy
id: 201939f4-803f-11ed-ab7e-d8da4bd1517f
last_name: Bethkenhagen
orcid: 0000-0002-1838-2129
citation:
ama: Cheng B, Hamel S, Bethkenhagen M. Thermodynamics of diamond formation from
hydrocarbon mixtures in planets. Nature Communications. 2023;14. doi:10.1038/s41467-023-36841-1
apa: Cheng, B., Hamel, S., & Bethkenhagen, M. (2023). Thermodynamics of diamond
formation from hydrocarbon mixtures in planets. Nature Communications.
Springer Nature. https://doi.org/10.1038/s41467-023-36841-1
chicago: Cheng, Bingqing, Sebastien Hamel, and Mandy Bethkenhagen. “Thermodynamics
of Diamond Formation from Hydrocarbon Mixtures in Planets.” Nature Communications.
Springer Nature, 2023. https://doi.org/10.1038/s41467-023-36841-1.
ieee: B. Cheng, S. Hamel, and M. Bethkenhagen, “Thermodynamics of diamond formation
from hydrocarbon mixtures in planets,” Nature Communications, vol. 14.
Springer Nature, 2023.
ista: Cheng B, Hamel S, Bethkenhagen M. 2023. Thermodynamics of diamond formation
from hydrocarbon mixtures in planets. Nature Communications. 14, 1104.
mla: Cheng, Bingqing, et al. “Thermodynamics of Diamond Formation from Hydrocarbon
Mixtures in Planets.” Nature Communications, vol. 14, 1104, Springer Nature,
2023, doi:10.1038/s41467-023-36841-1.
short: B. Cheng, S. Hamel, M. Bethkenhagen, Nature Communications 14 (2023).
date_created: 2023-03-05T23:01:04Z
date_published: 2023-02-27T00:00:00Z
date_updated: 2023-08-01T13:36:11Z
day: '27'
ddc:
- '540'
department:
- _id: BiCh
doi: 10.1038/s41467-023-36841-1
external_id:
isi:
- '000939678300002'
pmid:
- '36843123'
file:
- access_level: open_access
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creator: cchlebak
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file_name: 2023_NatComm_Cheng.pdf
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intvolume: ' 14'
isi: 1
language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
pmid: 1
project:
- _id: 9B861AAC-BA93-11EA-9121-9846C619BF3A
name: NOMIS Fellowship Program
publication: Nature Communications
publication_identifier:
eissn:
- 2041-1723
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Thermodynamics of diamond formation from hydrocarbon mixtures in planets
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: 14
year: '2023'
...
---
_id: '12719'
abstract:
- lang: eng
text: "Background\r\nEpigenetic clocks can track both chronological age (cAge) and
biological age (bAge). The latter is typically defined by physiological biomarkers
and risk of adverse health outcomes, including all-cause mortality. As cohort
sample sizes increase, estimates of cAge and bAge become more precise. Here, we
aim to develop accurate epigenetic predictors of cAge and bAge, whilst improving
our understanding of their epigenomic architecture.\r\n\r\nMethods\r\nFirst, we
perform large-scale (N = 18,413) epigenome-wide association studies (EWAS) of
chronological age and all-cause mortality. Next, to create a cAge predictor, we
use methylation data from 24,674 participants from the Generation Scotland study,
the Lothian Birth Cohorts (LBC) of 1921 and 1936, and 8 other cohorts with publicly
available data. In addition, we train a predictor of time to all-cause mortality
as a proxy for bAge using the Generation Scotland cohort (1214 observed deaths).
For this purpose, we use epigenetic surrogates (EpiScores) for 109 plasma proteins
and the 8 component parts of GrimAge, one of the current best epigenetic predictors
of survival. We test this bAge predictor in four external cohorts (LBC1921, LBC1936,
the Framingham Heart Study and the Women’s Health Initiative study).\r\n\r\nResults\r\nThrough
the inclusion of linear and non-linear age-CpG associations from the EWAS, feature
pre-selection in advance of elastic net regression, and a leave-one-cohort-out
(LOCO) cross-validation framework, we obtain cAge prediction with a median absolute
error equal to 2.3 years. Our bAge predictor was found to slightly outperform
GrimAge in terms of the strength of its association to survival (HRGrimAge = 1.47
[1.40, 1.54] with p = 1.08 × 10−52, and HRbAge = 1.52 [1.44, 1.59] with p = 2.20 × 10−60).
Finally, we introduce MethylBrowsR, an online tool to visualise epigenome-wide
CpG-age associations.\r\n\r\nConclusions\r\nThe integration of multiple large
datasets, EpiScores, non-linear DNAm effects, and new approaches to feature selection
has facilitated improvements to the blood-based epigenetic prediction of biological
and chronological age."
acknowledgement: We are grateful to all the families who took part, the general practitioners,
and the Scottish School of Primary Care for their help in recruiting them and the
whole GS team that includes interviewers, computer and laboratory technicians, clerical
workers, research scientists, volunteers, managers, receptionists, healthcare assistants,
and nurses.
article_number: '12'
article_processing_charge: No
article_type: original
author:
- first_name: Elena
full_name: Bernabeu, Elena
last_name: Bernabeu
- first_name: Daniel L.
full_name: Mccartney, Daniel L.
last_name: Mccartney
- first_name: Danni A.
full_name: Gadd, Danni A.
last_name: Gadd
- first_name: Robert F.
full_name: Hillary, Robert F.
last_name: Hillary
- first_name: Ake T.
full_name: Lu, Ake T.
last_name: Lu
- first_name: Lee
full_name: Murphy, Lee
last_name: Murphy
- first_name: Nicola
full_name: Wrobel, Nicola
last_name: Wrobel
- first_name: Archie
full_name: Campbell, Archie
last_name: Campbell
- first_name: Sarah E.
full_name: Harris, Sarah E.
last_name: Harris
- first_name: David
full_name: Liewald, David
last_name: Liewald
- first_name: Caroline
full_name: Hayward, Caroline
last_name: Hayward
- first_name: Cathie
full_name: Sudlow, Cathie
last_name: Sudlow
- first_name: Simon R.
full_name: Cox, Simon R.
last_name: Cox
- first_name: Kathryn L.
full_name: Evans, Kathryn L.
last_name: Evans
- first_name: Steve
full_name: Horvath, Steve
last_name: Horvath
- first_name: Andrew M.
full_name: Mcintosh, Andrew M.
last_name: Mcintosh
- first_name: Matthew Richard
full_name: Robinson, Matthew Richard
id: E5D42276-F5DA-11E9-8E24-6303E6697425
last_name: Robinson
orcid: 0000-0001-8982-8813
- first_name: Catalina A.
full_name: Vallejos, Catalina A.
last_name: Vallejos
- first_name: Riccardo E.
full_name: Marioni, Riccardo E.
last_name: Marioni
citation:
ama: Bernabeu E, Mccartney DL, Gadd DA, et al. Refining epigenetic prediction of
chronological and biological age. Genome Medicine. 2023;15. doi:10.1186/s13073-023-01161-y
apa: Bernabeu, E., Mccartney, D. L., Gadd, D. A., Hillary, R. F., Lu, A. T., Murphy,
L., … Marioni, R. E. (2023). Refining epigenetic prediction of chronological and
biological age. Genome Medicine. Springer Nature. https://doi.org/10.1186/s13073-023-01161-y
chicago: Bernabeu, Elena, Daniel L. Mccartney, Danni A. Gadd, Robert F. Hillary,
Ake T. Lu, Lee Murphy, Nicola Wrobel, et al. “Refining Epigenetic Prediction of
Chronological and Biological Age.” Genome Medicine. Springer Nature, 2023.
https://doi.org/10.1186/s13073-023-01161-y.
ieee: E. Bernabeu et al., “Refining epigenetic prediction of chronological
and biological age,” Genome Medicine, vol. 15. Springer Nature, 2023.
ista: Bernabeu E, Mccartney DL, Gadd DA, Hillary RF, Lu AT, Murphy L, Wrobel N,
Campbell A, Harris SE, Liewald D, Hayward C, Sudlow C, Cox SR, Evans KL, Horvath
S, Mcintosh AM, Robinson MR, Vallejos CA, Marioni RE. 2023. Refining epigenetic
prediction of chronological and biological age. Genome Medicine. 15, 12.
mla: Bernabeu, Elena, et al. “Refining Epigenetic Prediction of Chronological and
Biological Age.” Genome Medicine, vol. 15, 12, Springer Nature, 2023, doi:10.1186/s13073-023-01161-y.
short: E. Bernabeu, D.L. Mccartney, D.A. Gadd, R.F. Hillary, A.T. Lu, L. Murphy,
N. Wrobel, A. Campbell, S.E. Harris, D. Liewald, C. Hayward, C. Sudlow, S.R. Cox,
K.L. Evans, S. Horvath, A.M. Mcintosh, M.R. Robinson, C.A. Vallejos, R.E. Marioni,
Genome Medicine 15 (2023).
date_created: 2023-03-12T23:01:02Z
date_published: 2023-02-28T00:00:00Z
date_updated: 2023-08-01T13:38:12Z
day: '28'
ddc:
- '570'
department:
- _id: MaRo
doi: 10.1186/s13073-023-01161-y
external_id:
isi:
- '000940286600001'
file:
- access_level: open_access
checksum: 833b837910c4db42fb5f0f34125f77a7
content_type: application/pdf
creator: cchlebak
date_created: 2023-03-14T10:29:47Z
date_updated: 2023-03-14T10:29:47Z
file_id: '12722'
file_name: 2023_GenomeMed_Bernabeu.pdf
file_size: 4275987
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file_date_updated: 2023-03-14T10:29:47Z
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language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
publication: Genome Medicine
publication_identifier:
eissn:
- 1756-994X
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Refining epigenetic prediction of chronological and biological age
tmp:
image: /images/cc_by.png
legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
short: CC BY (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 15
year: '2023'
...
---
_id: '12704'
abstract:
- lang: eng
text: Adversarial training (i.e., training on adversarially perturbed input data)
is a well-studied method for making neural networks robust to potential adversarial
attacks during inference. However, the improved robustness does not come for free
but rather is accompanied by a decrease in overall model accuracy and performance.
Recent work has shown that, in practical robot learning applications, the effects
of adversarial training do not pose a fair trade-off but inflict a net loss when
measured in holistic robot performance. This work revisits the robustness-accuracy
trade-off in robot learning by systematically analyzing if recent advances in
robust training methods and theory in conjunction with adversarial robot learning,
are capable of making adversarial training suitable for real-world robot applications.
We evaluate three different robot learning tasks ranging from autonomous driving
in a high-fidelity environment amenable to sim-to-real deployment to mobile robot
navigation and gesture recognition. Our results demonstrate that, while these
techniques make incremental improvements on the trade-off on a relative scale,
the negative impact on the nominal accuracy caused by adversarial training still
outweighs the improved robustness by an order of magnitude. We conclude that although
progress is happening, further advances in robust learning methods are necessary
before they can benefit robot learning tasks in practice.
acknowledgement: "We thank Christoph Lampert for inspiring this work. The\r\nviews
and conclusions contained in this document are those of\r\nthe authors and should
not be interpreted as representing the\r\nofficial policies, either expressed or
implied, of the United States\r\nAir Force or the U.S. Government. The U.S. Government
is\r\nauthorized to reproduce and distribute reprints for Government\r\npurposes
notwithstanding any copyright notation herein."
article_processing_charge: No
article_type: original
author:
- first_name: Mathias
full_name: Lechner, Mathias
id: 3DC22916-F248-11E8-B48F-1D18A9856A87
last_name: Lechner
- first_name: Alexander
full_name: Amini, Alexander
last_name: Amini
- first_name: Daniela
full_name: Rus, Daniela
last_name: Rus
- first_name: Thomas A
full_name: Henzinger, Thomas A
id: 40876CD8-F248-11E8-B48F-1D18A9856A87
last_name: Henzinger
orcid: 0000-0002-2985-7724
citation:
ama: Lechner M, Amini A, Rus D, Henzinger TA. Revisiting the adversarial robustness-accuracy
tradeoff in robot learning. IEEE Robotics and Automation Letters. 2023;8(3):1595-1602.
doi:10.1109/LRA.2023.3240930
apa: Lechner, M., Amini, A., Rus, D., & Henzinger, T. A. (2023). Revisiting
the adversarial robustness-accuracy tradeoff in robot learning. IEEE Robotics
and Automation Letters. Institute of Electrical and Electronics Engineers.
https://doi.org/10.1109/LRA.2023.3240930
chicago: Lechner, Mathias, Alexander Amini, Daniela Rus, and Thomas A Henzinger.
“Revisiting the Adversarial Robustness-Accuracy Tradeoff in Robot Learning.” IEEE
Robotics and Automation Letters. Institute of Electrical and Electronics Engineers,
2023. https://doi.org/10.1109/LRA.2023.3240930.
ieee: M. Lechner, A. Amini, D. Rus, and T. A. Henzinger, “Revisiting the adversarial
robustness-accuracy tradeoff in robot learning,” IEEE Robotics and Automation
Letters, vol. 8, no. 3. Institute of Electrical and Electronics Engineers,
pp. 1595–1602, 2023.
ista: Lechner M, Amini A, Rus D, Henzinger TA. 2023. Revisiting the adversarial
robustness-accuracy tradeoff in robot learning. IEEE Robotics and Automation Letters.
8(3), 1595–1602.
mla: Lechner, Mathias, et al. “Revisiting the Adversarial Robustness-Accuracy Tradeoff
in Robot Learning.” IEEE Robotics and Automation Letters, vol. 8, no. 3,
Institute of Electrical and Electronics Engineers, 2023, pp. 1595–602, doi:10.1109/LRA.2023.3240930.
short: M. Lechner, A. Amini, D. Rus, T.A. Henzinger, IEEE Robotics and Automation
Letters 8 (2023) 1595–1602.
date_created: 2023-03-05T23:01:04Z
date_published: 2023-03-01T00:00:00Z
date_updated: 2023-08-01T13:36:50Z
day: '01'
ddc:
- '000'
department:
- _id: ToHe
doi: 10.1109/LRA.2023.3240930
external_id:
arxiv:
- '2204.07373'
isi:
- '000936534100012'
file:
- access_level: open_access
checksum: 5a75dcd326ea66685de2b1aaec259e85
content_type: application/pdf
creator: cchlebak
date_created: 2023-03-07T12:22:23Z
date_updated: 2023-03-07T12:22:23Z
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file_name: 2023_IEEERobAutLetters_Lechner.pdf
file_size: 944052
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has_accepted_license: '1'
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- iso: eng
month: '03'
oa: 1
oa_version: Published Version
page: 1595-1602
publication: IEEE Robotics and Automation Letters
publication_identifier:
eissn:
- 2377-3766
publication_status: published
publisher: Institute of Electrical and Electronics Engineers
quality_controlled: '1'
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scopus_import: '1'
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title: Revisiting the adversarial robustness-accuracy tradeoff in robot learning
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: 8
year: '2023'
...
---
_id: '12737'
abstract:
- lang: eng
text: The substitution of heavier, more metallic atoms into classical organic ligand
frameworks provides an important strategy for tuning ligand properties, such as
ligand bite and donor character, and is the basis for the emerging area of main-group
supramolecular chemistry. In this paper, we explore two new ligands [E(2-Me-8-qy)3]
[E = Sb (1), Bi (2); qy = quinolyl], allowing a fundamental comparison of their
coordination behavior with classical tris(2-pyridyl) ligands of the type [E′(2-py)3]
(E = a range of bridgehead atoms and groups, py = pyridyl). A range of new coordination
modes to Cu+, Ag+, and Au+ is seen for 1 and 2, in the absence of steric constraints
at the bridgehead and with their more remote N-donor atoms. A particular feature
is the adaptive nature of these new ligands, with the ability to adjust coordination
mode in response to the hard–soft character of coordinated metal ions, influenced
also by the character of the bridgehead atom (Sb or Bi). These features can be
seen in a comparison between [Cu2{Sb(2-Me-8-qy)3}2](PF6)2 (1·CuPF6) and [Cu{Bi(2-Me-8-qy)3}](PF6)
(2·CuPF6), the first containing a dimeric cation in which 1 adopts an unprecedented
intramolecular N,N,Sb-coordination mode while in the second, 2 adopts an unusual
N,N,(π-)C coordination mode. In contrast, the previously reported analogous ligands
[E(6-Me-2-py)3] (E = Sb, Bi; 2-py = 2-pyridyl) show a tris-chelating mode in their
complexes with CuPF6, which is typical for the extensive tris(2-pyridyl) family
with a range of metals. The greater polarity of the Bi–C bond in 2 results in
ligand transfer reactions with Au(I). Although this reactivity is not in itself
unusual, the characterization of several products by single-crystal X-ray diffraction
provides snapshots of the ligand transfer reaction involved, with one of the products
(the bimetallic complex [(BiCl){ClAu2(2-Me-8-qy)3}] (8)) containing a Au2Bi core
in which the shortest Au → Bi donor–acceptor bond to date is observed.
acknowledgement: The authors thank the Walters-Kundert Studentship of Selwyn College
(scholarship for J.E.W.), the Leverhulme Trust (R.G.-R. and D.S.W., grant RPG-2017-146),
the Australian Research Council (A.L.C., DE200100450), the Spanish Ministry of Science
and Innovation (MCI) and the Spanish Ministry of Science, Innovation and Universities
(MCIU) (R.G.-R., PID2021-124691NB-I00, funded by MCIN/AEI/10.13039/501100011033/FEDER,
UE and PGC2018-096880-A-I00, MCIU/AEI/FEDER), The University of Valladolid and Santander
Bank (Fellowship for A.G.-R.), and the U.K. EPSRC and The Royal Dutch Shell plc.
(I-Case award for R.B.J., EP/R511870/1) for financial support. Calculations were
carried out on an in-house Odyssey HPC cluster (Cambridge), and the authors are
grateful for the calculation time used.
article_processing_charge: No
article_type: original
author:
- first_name: Álvaro
full_name: García-Romero, Álvaro
last_name: García-Romero
- first_name: Jessica E.
full_name: Waters, Jessica E.
last_name: Waters
- first_name: Rajesh B
full_name: Jethwa, Rajesh B
id: 4cc538d5-803f-11ed-ab7e-8139573aad8f
last_name: Jethwa
orcid: 0000-0002-0404-4356
- first_name: Andrew D.
full_name: Bond, Andrew D.
last_name: Bond
- first_name: Annie L.
full_name: Colebatch, Annie L.
last_name: Colebatch
- first_name: Raúl
full_name: García-Rodríguez, Raúl
last_name: García-Rodríguez
- first_name: Dominic S.
full_name: Wright, Dominic S.
last_name: Wright
citation:
ama: García-Romero Á, Waters JE, Jethwa RB, et al. Highly adaptive nature of group
15 tris(quinolyl) ligands─studies with coinage metals. Inorganic Chemistry.
2023;62(11):4625-4636. doi:10.1021/acs.inorgchem.3c00057
apa: García-Romero, Á., Waters, J. E., Jethwa, R. B., Bond, A. D., Colebatch, A.
L., García-Rodríguez, R., & Wright, D. S. (2023). Highly adaptive nature of
group 15 tris(quinolyl) ligands─studies with coinage metals. Inorganic Chemistry.
American Chemical Society. https://doi.org/10.1021/acs.inorgchem.3c00057
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.” Inorganic
Chemistry. American Chemical Society, 2023. https://doi.org/10.1021/acs.inorgchem.3c00057.
ieee: Á. García-Romero et al., “Highly adaptive nature of group 15 tris(quinolyl)
ligands─studies with coinage metals,” Inorganic Chemistry, 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.” Inorganic Chemistry, vol. 62, no.
11, American Chemical Society, 2023, pp. 4625–36, doi:10.1021/acs.inorgchem.3c00057.
short: Á. García-Romero, J.E. Waters, R.B. Jethwa, A.D. Bond, A.L. Colebatch, R.
García-Rodríguez, D.S. Wright, Inorganic Chemistry 62 (2023) 4625–4636.
date_created: 2023-03-19T23:00:59Z
date_published: 2023-03-08T00:00:00Z
date_updated: 2023-08-01T13:42:59Z
day: '08'
department:
- _id: StFr
doi: 10.1021/acs.inorgchem.3c00057
external_id:
isi:
- '000956110300001'
pmid:
- '36883367'
intvolume: ' 62'
isi: 1
issue: '11'
language:
- iso: eng
month: '03'
oa_version: None
page: 4625-4636
pmid: 1
publication: Inorganic Chemistry
publication_identifier:
eissn:
- 1520-510X
issn:
- 0020-1669
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Highly adaptive nature of group 15 tris(quinolyl) ligands─studies with coinage
metals
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 62
year: '2023'
...
---
_id: '12723'
abstract:
- lang: eng
text: 'Lead halide perovskites enjoy a number of remarkable optoelectronic properties.
To explain their origin, it is necessary to study how electromagnetic fields interact
with these systems. We address this problem here by studying two classical quantities:
Faraday rotation and the complex refractive index in a paradigmatic perovskite
CH3NH3PbBr3 in a broad wavelength range. We find that the minimal coupling of
electromagnetic fields to the k⋅p Hamiltonian is insufficient to describe the
observed data even on the qualitative level. To amend this, we demonstrate that
there exists a relevant atomic-level coupling between electromagnetic fields and
the spin degree of freedom. This spin-electric coupling allows for quantitative
description of a number of previous as well as present experimental data. In particular,
we use it here to show that the Faraday effect in lead halide perovskites is dominated
by the Zeeman splitting of the energy levels and has a substantial beyond-Becquerel
contribution. Finally, we present general symmetry-based phenomenological arguments
that in the low-energy limit our effective model includes all basis coupling terms
to the electromagnetic field in the linear order.'
article_number: '106901'
article_processing_charge: No
article_type: original
author:
- first_name: Artem
full_name: Volosniev, Artem
id: 37D278BC-F248-11E8-B48F-1D18A9856A87
last_name: Volosniev
orcid: 0000-0003-0393-5525
- first_name: Abhishek
full_name: Shiva Kumar, Abhishek
id: 5e9a6931-eb97-11eb-a6c2-e96f7058d77a
last_name: Shiva Kumar
- first_name: Dusan
full_name: Lorenc, Dusan
id: 40D8A3E6-F248-11E8-B48F-1D18A9856A87
last_name: Lorenc
- first_name: Younes
full_name: Ashourishokri, Younes
id: e32c111f-f6e0-11ea-865d-eb955baea334
last_name: Ashourishokri
- first_name: Ayan A.
full_name: Zhumekenov, Ayan A.
last_name: Zhumekenov
- first_name: Osman M.
full_name: Bakr, Osman M.
last_name: Bakr
- first_name: Mikhail
full_name: Lemeshko, Mikhail
id: 37CB05FA-F248-11E8-B48F-1D18A9856A87
last_name: Lemeshko
orcid: 0000-0002-6990-7802
- first_name: Zhanybek
full_name: Alpichshev, Zhanybek
id: 45E67A2A-F248-11E8-B48F-1D18A9856A87
last_name: Alpichshev
orcid: 0000-0002-7183-5203
citation:
ama: Volosniev A, Shiva Kumar A, Lorenc D, et al. Spin-electric coupling in lead
halide perovskites. Physical Review Letters. 2023;130(10). doi:10.1103/physrevlett.130.106901
apa: Volosniev, A., Shiva Kumar, A., Lorenc, D., Ashourishokri, Y., Zhumekenov,
A. A., Bakr, O. M., … Alpichshev, Z. (2023). Spin-electric coupling in lead halide
perovskites. Physical Review Letters. American Physical Society. https://doi.org/10.1103/physrevlett.130.106901
chicago: Volosniev, Artem, Abhishek Shiva Kumar, Dusan Lorenc, Younes Ashourishokri,
Ayan A. Zhumekenov, Osman M. Bakr, Mikhail Lemeshko, and Zhanybek Alpichshev.
“Spin-Electric Coupling in Lead Halide Perovskites.” Physical Review Letters.
American Physical Society, 2023. https://doi.org/10.1103/physrevlett.130.106901.
ieee: A. Volosniev et al., “Spin-electric coupling in lead halide perovskites,”
Physical Review Letters, vol. 130, no. 10. American Physical Society, 2023.
ista: Volosniev A, Shiva Kumar A, Lorenc D, Ashourishokri Y, Zhumekenov AA, Bakr
OM, Lemeshko M, Alpichshev Z. 2023. Spin-electric coupling in lead halide perovskites.
Physical Review Letters. 130(10), 106901.
mla: Volosniev, Artem, et al. “Spin-Electric Coupling in Lead Halide Perovskites.”
Physical Review Letters, vol. 130, no. 10, 106901, American Physical Society,
2023, doi:10.1103/physrevlett.130.106901.
short: A. Volosniev, A. Shiva Kumar, D. Lorenc, Y. Ashourishokri, A.A. Zhumekenov,
O.M. Bakr, M. Lemeshko, Z. Alpichshev, Physical Review Letters 130 (2023).
date_created: 2023-03-14T13:11:59Z
date_published: 2023-03-10T00:00:00Z
date_updated: 2023-08-01T13:39:04Z
day: '10'
department:
- _id: GradSch
- _id: ZhAl
- _id: MiLe
doi: 10.1103/physrevlett.130.106901
external_id:
arxiv:
- '2203.09443'
isi:
- '000982435900002'
intvolume: ' 130'
isi: 1
issue: '10'
keyword:
- General Physics and Astronomy
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.48550/arXiv.2203.09443
month: '03'
oa: 1
oa_version: Preprint
publication: Physical Review Letters
publication_identifier:
eissn:
- 1079-7114
issn:
- 0031-9007
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Spin-electric coupling in lead halide perovskites
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 130
year: '2023'
...
---
_id: '12724'
abstract:
- lang: eng
text: 'We use general symmetry-based arguments to construct an effective model suitable
for studying optical properties of lead halide perovskites. To build the model,
we identify an atomic-level interaction between electromagnetic fields and the
spin degree of freedom that should be added to a minimally coupled k⋅p Hamiltonian.
As a first application, we study two basic optical characteristics of the material:
the Verdet constant and the refractive index. Beyond these linear characteristics
of the material, the model is suitable for calculating nonlinear effects such
as the third-order optical susceptibility. Analysis of this quantity shows that
the geometrical properties of the spin-electric term imply isotropic optical response
of the system, and that optical anisotropy of lead halide perovskites is a manifestation
of hopping of charge carriers. To illustrate this, we discuss third-harmonic generation.'
article_number: '125201'
article_processing_charge: No
article_type: original
author:
- first_name: Artem
full_name: Volosniev, Artem
id: 37D278BC-F248-11E8-B48F-1D18A9856A87
last_name: Volosniev
orcid: 0000-0003-0393-5525
- first_name: Abhishek
full_name: Shiva Kumar, Abhishek
id: 5e9a6931-eb97-11eb-a6c2-e96f7058d77a
last_name: Shiva Kumar
- first_name: Dusan
full_name: Lorenc, Dusan
id: 40D8A3E6-F248-11E8-B48F-1D18A9856A87
last_name: Lorenc
- first_name: Younes
full_name: Ashourishokri, Younes
id: e32c111f-f6e0-11ea-865d-eb955baea334
last_name: Ashourishokri
- first_name: Ayan
full_name: Zhumekenov, Ayan
last_name: Zhumekenov
- first_name: Osman M.
full_name: Bakr, Osman M.
last_name: Bakr
- first_name: Mikhail
full_name: Lemeshko, Mikhail
id: 37CB05FA-F248-11E8-B48F-1D18A9856A87
last_name: Lemeshko
orcid: 0000-0002-6990-7802
- first_name: Zhanybek
full_name: Alpichshev, Zhanybek
id: 45E67A2A-F248-11E8-B48F-1D18A9856A87
last_name: Alpichshev
orcid: 0000-0002-7183-5203
citation:
ama: Volosniev A, Shiva Kumar A, Lorenc D, et al. Effective model for studying optical
properties of lead halide perovskites. Physical Review B. 2023;107(12).
doi:10.1103/physrevb.107.125201
apa: Volosniev, A., Shiva Kumar, A., Lorenc, D., Ashourishokri, Y., Zhumekenov,
A., Bakr, O. M., … Alpichshev, Z. (2023). Effective model for studying optical
properties of lead halide perovskites. Physical Review B. American Physical
Society. https://doi.org/10.1103/physrevb.107.125201
chicago: Volosniev, Artem, Abhishek Shiva Kumar, Dusan Lorenc, Younes Ashourishokri,
Ayan Zhumekenov, Osman M. Bakr, Mikhail Lemeshko, and Zhanybek Alpichshev. “Effective
Model for Studying Optical Properties of Lead Halide Perovskites.” Physical
Review B. American Physical Society, 2023. https://doi.org/10.1103/physrevb.107.125201.
ieee: A. Volosniev et al., “Effective model for studying optical properties
of lead halide perovskites,” Physical Review B, vol. 107, no. 12. American
Physical Society, 2023.
ista: Volosniev A, Shiva Kumar A, Lorenc D, Ashourishokri Y, Zhumekenov A, Bakr
OM, Lemeshko M, Alpichshev Z. 2023. Effective model for studying optical properties
of lead halide perovskites. Physical Review B. 107(12), 125201.
mla: Volosniev, Artem, et al. “Effective Model for Studying Optical Properties of
Lead Halide Perovskites.” Physical Review B, vol. 107, no. 12, 125201,
American Physical Society, 2023, doi:10.1103/physrevb.107.125201.
short: A. Volosniev, A. Shiva Kumar, D. Lorenc, Y. Ashourishokri, A. Zhumekenov,
O.M. Bakr, M. Lemeshko, Z. Alpichshev, Physical Review B 107 (2023).
date_created: 2023-03-14T13:13:05Z
date_published: 2023-03-15T00:00:00Z
date_updated: 2023-08-01T13:39:47Z
day: '15'
department:
- _id: GradSch
- _id: ZhAl
- _id: MiLe
doi: 10.1103/physrevb.107.125201
external_id:
arxiv:
- '2204.04022'
isi:
- '000972602200006'
intvolume: ' 107'
isi: 1
issue: '12'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.48550/arXiv.2204.04022
month: '03'
oa: 1
oa_version: Preprint
publication: Physical Review B
publication_identifier:
eissn:
- 2469-9969
issn:
- 2469-9950
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Effective model for studying optical properties of lead halide perovskites
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 107
year: '2023'
...
---
_id: '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. PLoS ONE. 2023;18(3 March). doi:10.1371/journal.pone.0277148
apa: Rothman, J. S., Borges Merjane, C., Holderith, N., Jonas, P. M., & Angus
Silver, R. (2023). Validation of a stereological method for estimating particle
size and density from 2D projections with high accuracy. PLoS ONE. Public
Library of Science. https://doi.org/10.1371/journal.pone.0277148
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.” PLoS ONE.
Public Library of Science, 2023. https://doi.org/10.1371/journal.pone.0277148.
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,” PLoS ONE, 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.” PLoS ONE,
vol. 18, no. 3 March, e0277148, Public Library of Science, 2023, doi:10.1371/journal.pone.0277148.
short: J.S. Rothman, C. Borges Merjane, N. Holderith, P.M. Jonas, R. Angus Silver,
PLoS ONE 18 (2023).
date_created: 2023-03-26T22:01:07Z
date_published: 2023-03-17T00:00:00Z
date_updated: 2023-08-01T13:46:39Z
day: '17'
ddc:
- '570'
department:
- _id: PeJo
doi: 10.1371/journal.pone.0277148
ec_funded: 1
external_id:
isi:
- '001024737400001'
file:
- access_level: open_access
checksum: 2380331ec27cc87808826fc64419ac1c
content_type: application/pdf
creator: dernst
date_created: 2023-03-27T06:51:09Z
date_updated: 2023-03-27T06:51:09Z
file_id: '12770'
file_name: 2023_PLoSOne_Rothman.pdf
file_size: 7290413
relation: main_file
success: 1
file_date_updated: 2023-03-27T06:51:09Z
has_accepted_license: '1'
intvolume: ' 18'
isi: 1
issue: 3 March
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
project:
- _id: 25B7EB9E-B435-11E9-9278-68D0E5697425
call_identifier: H2020
grant_number: '692692'
name: Biophysics and circuit function of a giant cortical glumatergic synapse
- _id: 25C5A090-B435-11E9-9278-68D0E5697425
call_identifier: FWF
grant_number: Z00312
name: The Wittgenstein Prize
- _id: 2696E7FE-B435-11E9-9278-68D0E5697425
call_identifier: FWF
grant_number: V00739
name: Structural plasticity at mossy fiber-CA3 synapses
publication: PLoS ONE
publication_identifier:
eissn:
- 1932-6203
publication_status: published
publisher: Public Library of Science
quality_controlled: '1'
scopus_import: '1'
status: public
title: Validation of a stereological method for estimating particle size and density
from 2D projections with high accuracy
tmp:
image: /images/cc_by.png
legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
short: CC BY (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 18
year: '2023'
...
---
_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. Science Advances. 2023;9(11). doi:10.1126/sciadv.ade5224
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. Science Advances.
American Association for the Advancement of Science. https://doi.org/10.1126/sciadv.ade5224
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.” Science Advances. American Association for the
Advancement of Science, 2023. https://doi.org/10.1126/sciadv.ade5224.
ieee: F. Hurtig et al., “The patterned assembly and stepwise Vps4-mediated
disassembly of composite ESCRT-III polymers drives archaeal cell division,” Science
Advances, 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.” Science
Advances, vol. 9, no. 11, eade5224, American Association for the Advancement
of Science, 2023, doi:10.1126/sciadv.ade5224.
short: F. Hurtig, T.C.Q. Burgers, A. Cezanne, X. Jiang, F.N. Mol, J. Traparić, A.A.
Pulschen, T. Nierhaus, G. Tarrason-Risa, L. Harker-Kirschneck, J. Löwe, A. Šarić,
R. Vlijm, B. Baum, Science Advances 9 (2023).
date_created: 2023-03-26T22:01:06Z
date_published: 2023-03-17T00:00:00Z
date_updated: 2023-08-01T13:45:54Z
day: '17'
ddc:
- '570'
department:
- _id: AnSa
doi: 10.1126/sciadv.ade5224
ec_funded: 1
external_id:
isi:
- '000968083500010'
file:
- access_level: open_access
checksum: 6d7dbe9ed86a116c8a002d62971202c5
content_type: application/pdf
creator: dernst
date_created: 2023-03-27T06:24:49Z
date_updated: 2023-03-27T06:24:49Z
file_id: '12768'
file_name: 2023_ScienceAdvances_Hurtig.pdf
file_size: 1826471
relation: main_file
success: 1
file_date_updated: 2023-03-27T06:24:49Z
has_accepted_license: '1'
intvolume: ' 9'
isi: 1
issue: '11'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
project:
- _id: eba2549b-77a9-11ec-83b8-a81e493eae4e
call_identifier: H2020
grant_number: '802960'
name: 'Non-Equilibrium Protein Assembly: from Building Blocks to Biological Machines'
publication: Science Advances
publication_identifier:
eissn:
- 2375-2548
publication_status: published
publisher: American Association for the Advancement of Science
quality_controlled: '1'
scopus_import: '1'
status: public
title: The patterned assembly and stepwise Vps4-mediated disassembly of composite
ESCRT-III polymers drives archaeal cell division
tmp:
image: /images/cc_by.png
legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
short: CC BY (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 9
year: '2023'
...
---
_id: '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 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. PLoS ONE. 2023;18(3).
doi:10.1371/journal.pone.0282689
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. PLoS ONE. Public
Library of Science. https://doi.org/10.1371/journal.pone.0282689
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.” PLoS ONE. Public Library of Science, 2023. https://doi.org/10.1371/journal.pone.0282689.
ieee: M. A. Pak et al., “Using AlphaFold to predict the impact of single
mutations on protein stability and function,” PLoS ONE, 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.” PLoS ONE, vol. 18, no. 3, e0282689,
Public Library of Science, 2023, doi:10.1371/journal.pone.0282689.
short: M.A. Pak, K.A. Markhieva, M.S. Novikova, D.S. Petrov, I.S. Vorobyev, E. Maksimova,
F. Kondrashov, D.N. Ivankov, PLoS ONE 18 (2023).
date_created: 2023-03-26T22:01:07Z
date_published: 2023-03-16T00:00:00Z
date_updated: 2023-08-01T13:47:14Z
day: '16'
ddc:
- '570'
department:
- _id: FyKo
- _id: MaRo
doi: 10.1371/journal.pone.0282689
external_id:
isi:
- '000985134400106'
file:
- access_level: open_access
checksum: 0281bdfccf8d76c4e08dd011c603f6b6
content_type: application/pdf
creator: dernst
date_created: 2023-03-27T07:09:08Z
date_updated: 2023-03-27T07:09:08Z
file_id: '12771'
file_name: 2023_PLoSOne_Pak.pdf
file_size: 856625
relation: main_file
success: 1
file_date_updated: 2023-03-27T07:09:08Z
has_accepted_license: '1'
intvolume: ' 18'
isi: 1
issue: '3'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
publication: PLoS ONE
publication_identifier:
eissn:
- 1932-6203
publication_status: published
publisher: Public Library of Science
quality_controlled: '1'
scopus_import: '1'
status: public
title: Using AlphaFold to predict the impact of single mutations on protein stability
and function
tmp:
image: /images/cc_by.png
legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
short: CC BY (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 18
year: '2023'
...
---
_id: '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. The Biochemical Journal.
2023;480(5):319-333. doi:10.1042/BCJ20210285'
apa: 'Sazanov, L. A. (2023). From the “black box” to “domino effect” mechanism:
What have we learned from the structures of respiratory complex I. The Biochemical
Journal. Portland Press. https://doi.org/10.1042/BCJ20210285'
chicago: 'Sazanov, Leonid A. “From the ‘black Box’ to ‘Domino Effect’ Mechanism:
What Have We Learned from the Structures of Respiratory Complex I.” The Biochemical
Journal. Portland Press, 2023. https://doi.org/10.1042/BCJ20210285.'
ieee: 'L. A. Sazanov, “From the ‘black box’ to ‘domino effect’ mechanism: What have
we learned from the structures of respiratory complex I,” The Biochemical Journal,
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.” The Biochemical
Journal, vol. 480, no. 5, Portland Press, 2023, pp. 319–33, doi:10.1042/BCJ20210285.'
short: L.A. Sazanov, The Biochemical Journal 480 (2023) 319–333.
date_created: 2023-03-26T22:01:06Z
date_published: 2023-03-15T00:00:00Z
date_updated: 2023-08-01T13:45:12Z
day: '15'
ddc:
- '570'
department:
- _id: LeSa
doi: 10.1042/BCJ20210285
external_id:
isi:
- '000957065700001'
pmid:
- '36920092'
has_accepted_license: '1'
intvolume: ' 480'
isi: 1
issue: '5'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1042/BCJ20210285
month: '03'
oa: 1
oa_version: Published Version
page: 319-333
pmid: 1
publication: The Biochemical Journal
publication_identifier:
eissn:
- 1470-8728
issn:
- 0264-6021
publication_status: published
publisher: Portland Press
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'From the ''black box'' to ''domino effect'' mechanism: What have we learned
from the structures of respiratory complex I'
tmp:
image: /images/cc_by.png
legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
short: CC BY (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 480
year: '2023'
...