---
_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
checksum: 5ff61ad21511950c15abb73b18613883
content_type: application/pdf
creator: cchlebak
date_created: 2023-03-07T10:58:00Z
date_updated: 2023-03-07T10:58:00Z
file_id: '12713'
file_name: 2023_NatComm_Cheng.pdf
file_size: 1946443
relation: main_file
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file_date_updated: 2023-03-07T10:58:00Z
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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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success: 1
file_date_updated: 2023-03-14T10:29:47Z
has_accepted_license: '1'
intvolume: ' 15'
isi: 1
language:
- iso: eng
month: '02'
oa: 1
oa_version: Published Version
publication: Genome Medicine
publication_identifier:
eissn:
- 1756-994X
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Refining epigenetic prediction of chronological and biological age
tmp:
image: /images/cc_by.png
legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode
name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)
short: CC BY (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 15
year: '2023'
...
---
_id: '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
file_id: '12714'
file_name: 2023_IEEERobAutLetters_Lechner.pdf
file_size: 944052
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success: 1
file_date_updated: 2023-03-07T12:22:23Z
has_accepted_license: '1'
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isi: 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'
related_material:
record:
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relation: earlier_version
status: public
scopus_import: '1'
status: public
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'
...
---
_id: '12787'
abstract:
- lang: eng
text: "Populations evolve in spatially heterogeneous environments. While a certain
trait might bring a fitness advantage in some patch of the environment, a different
trait might be advantageous in another patch. Here, we study the Moran birth–death
process with two types of individuals in a population stretched across two patches
of size N, each patch favouring one of the two types. We show that the long-term
fate of such populations crucially depends on the migration rate μ\r\n between
the patches. To classify the possible fates, we use the distinction between polynomial
(short) and exponential (long) timescales. We show that when μ is high then one
of the two types fixates on the whole population after a number of steps that
is only polynomial in N. By contrast, when μ is low then each type holds majority
in the patch where it is favoured for a number of steps that is at least exponential
in N. Moreover, we precisely identify the threshold migration rate μ⋆ that separates
those two scenarios, thereby exactly delineating the situations that support long-term
coexistence of the two types. We also discuss the case of various cycle graphs
and we present computer simulations that perfectly match our analytical results."
acknowledgement: J.S. and K.C. acknowledge support from the ERC CoG 863818 (ForM-SMArt)
article_number: '20220685'
article_processing_charge: No
article_type: original
author:
- first_name: Jakub
full_name: Svoboda, Jakub
id: 130759D2-D7DD-11E9-87D2-DE0DE6697425
last_name: Svoboda
- first_name: Josef
full_name: Tkadlec, Josef
id: 3F24CCC8-F248-11E8-B48F-1D18A9856A87
last_name: Tkadlec
orcid: 0000-0002-1097-9684
- first_name: Kamran
full_name: Kaveh, Kamran
last_name: Kaveh
- first_name: Krishnendu
full_name: Chatterjee, Krishnendu
id: 2E5DCA20-F248-11E8-B48F-1D18A9856A87
last_name: Chatterjee
orcid: 0000-0002-4561-241X
citation:
ama: 'Svoboda J, Tkadlec J, Kaveh K, Chatterjee K. Coexistence times in the Moran
process with environmental heterogeneity. Proceedings of the Royal Society
A: Mathematical, Physical and Engineering Sciences. 2023;479(2271). doi:10.1098/rspa.2022.0685'
apa: 'Svoboda, J., Tkadlec, J., Kaveh, K., & Chatterjee, K. (2023). Coexistence
times in the Moran process with environmental heterogeneity. Proceedings of
the Royal Society A: Mathematical, Physical and Engineering Sciences. The
Royal Society. https://doi.org/10.1098/rspa.2022.0685'
chicago: 'Svoboda, Jakub, Josef Tkadlec, Kamran Kaveh, and Krishnendu Chatterjee.
“Coexistence Times in the Moran Process with Environmental Heterogeneity.” Proceedings
of the Royal Society A: Mathematical, Physical and Engineering Sciences. The
Royal Society, 2023. https://doi.org/10.1098/rspa.2022.0685.'
ieee: 'J. Svoboda, J. Tkadlec, K. Kaveh, and K. Chatterjee, “Coexistence times in
the Moran process with environmental heterogeneity,” Proceedings of the Royal
Society A: Mathematical, Physical and Engineering Sciences, vol. 479, no.
2271. The Royal Society, 2023.'
ista: 'Svoboda J, Tkadlec J, Kaveh K, Chatterjee K. 2023. Coexistence times in the
Moran process with environmental heterogeneity. Proceedings of the Royal Society
A: Mathematical, Physical and Engineering Sciences. 479(2271), 20220685.'
mla: 'Svoboda, Jakub, et al. “Coexistence Times in the Moran Process with Environmental
Heterogeneity.” Proceedings of the Royal Society A: Mathematical, Physical
and Engineering Sciences, vol. 479, no. 2271, 20220685, The Royal Society,
2023, doi:10.1098/rspa.2022.0685.'
short: 'J. Svoboda, J. Tkadlec, K. Kaveh, K. Chatterjee, Proceedings of the Royal
Society A: Mathematical, Physical and Engineering Sciences 479 (2023).'
date_created: 2023-04-02T22:01:09Z
date_published: 2023-03-29T00:00:00Z
date_updated: 2023-08-01T13:58:34Z
day: '29'
ddc:
- '000'
department:
- _id: KrCh
doi: 10.1098/rspa.2022.0685
ec_funded: 1
external_id:
isi:
- '000957125500002'
file:
- access_level: open_access
checksum: 13953d349fbefcb5d21ccc6b303297eb
content_type: application/pdf
creator: dernst
date_created: 2023-04-03T06:25:29Z
date_updated: 2023-04-03T06:25:29Z
file_id: '12796'
file_name: 2023_ProceedingsRoyalSocietyA_Svoboda.pdf
file_size: 827784
relation: main_file
success: 1
file_date_updated: 2023-04-03T06:25:29Z
has_accepted_license: '1'
intvolume: ' 479'
isi: 1
issue: '2271'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
project:
- _id: 0599E47C-7A3F-11EA-A408-12923DDC885E
call_identifier: H2020
grant_number: '863818'
name: 'Formal Methods for Stochastic Models: Algorithms and Applications'
publication: 'Proceedings of the Royal Society A: Mathematical, Physical and Engineering
Sciences'
publication_identifier:
eissn:
- 1471-2946
issn:
- 1364-5021
publication_status: published
publisher: The Royal Society
quality_controlled: '1'
related_material:
link:
- relation: research_data
url: https://doi.org/10.6084/m9.figshare.21261771.v1
scopus_import: '1'
status: public
title: Coexistence times in the Moran process with environmental heterogeneity
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: 479
year: '2023'
...
---
_id: '12788'
abstract:
- lang: eng
text: We show that the simplest of existing molecules—closed-shell diatomics not
interacting with one another—host topological charges when driven by periodic
far-off-resonant laser pulses. A periodically kicked molecular rotor can be mapped
onto a “crystalline” lattice in angular momentum space. This allows us to define
quasimomenta and the band structure in the Floquet representation, by analogy
with the Bloch waves of solid-state physics. Applying laser pulses spaced by 1/3
of the molecular rotational period creates a lattice with three atoms per unit
cell with staggered hopping. Within the synthetic dimension of the laser strength,
we discover Dirac cones with topological charges. These Dirac cones, topologically
protected by reflection and time-reversal symmetry, are reminiscent of (although
not equivalent to) that seen in graphene. They—and the corresponding edge states—are
broadly tunable by adjusting the laser strength and can be observed in present-day
experiments by measuring molecular alignment and populations of rotational levels.
This paves the way to study controllable topological physics in gas-phase experiments
with small molecules as well as to classify dynamical molecular states by their
topological invariants.
acknowledgement: M. L. acknowledges support by the European Research Council (ERC)
Starting Grant No. 801770 (ANGULON).
article_number: '103202'
article_processing_charge: No
article_type: original
author:
- first_name: Volker
full_name: Karle, Volker
id: D7C012AE-D7ED-11E9-95E8-1EC5E5697425
last_name: Karle
- first_name: Areg
full_name: Ghazaryan, Areg
id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87
last_name: Ghazaryan
orcid: 0000-0001-9666-3543
- first_name: Mikhail
full_name: Lemeshko, Mikhail
id: 37CB05FA-F248-11E8-B48F-1D18A9856A87
last_name: Lemeshko
orcid: 0000-0002-6990-7802
citation:
ama: Karle V, Ghazaryan A, Lemeshko M. Topological charges of periodically kicked
molecules. Physical Review Letters. 2023;130(10). doi:10.1103/PhysRevLett.130.103202
apa: Karle, V., Ghazaryan, A., & Lemeshko, M. (2023). Topological charges of
periodically kicked molecules. Physical Review Letters. American Physical
Society. https://doi.org/10.1103/PhysRevLett.130.103202
chicago: Karle, Volker, Areg Ghazaryan, and Mikhail Lemeshko. “Topological Charges
of Periodically Kicked Molecules.” Physical Review Letters. American Physical
Society, 2023. https://doi.org/10.1103/PhysRevLett.130.103202.
ieee: V. Karle, A. Ghazaryan, and M. Lemeshko, “Topological charges of periodically
kicked molecules,” Physical Review Letters, vol. 130, no. 10. American
Physical Society, 2023.
ista: Karle V, Ghazaryan A, Lemeshko M. 2023. Topological charges of periodically
kicked molecules. Physical Review Letters. 130(10), 103202.
mla: Karle, Volker, et al. “Topological Charges of Periodically Kicked Molecules.”
Physical Review Letters, vol. 130, no. 10, 103202, American Physical Society,
2023, doi:10.1103/PhysRevLett.130.103202.
short: V. Karle, A. Ghazaryan, M. Lemeshko, Physical Review Letters 130 (2023).
date_created: 2023-04-02T22:01:10Z
date_published: 2023-03-10T00:00:00Z
date_updated: 2023-08-01T14:02:06Z
day: '10'
department:
- _id: MiLe
doi: 10.1103/PhysRevLett.130.103202
ec_funded: 1
external_id:
arxiv:
- '2206.07067'
isi:
- '000957635500003'
intvolume: ' 130'
isi: 1
issue: '10'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.48550/arXiv.2206.07067
month: '03'
oa: 1
oa_version: Preprint
project:
- _id: 2688CF98-B435-11E9-9278-68D0E5697425
call_identifier: H2020
grant_number: '801770'
name: 'Angulon: physics and applications of a new quasiparticle'
publication: Physical Review Letters
publication_identifier:
eissn:
- 1079-7114
issn:
- 0031-9007
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
related_material:
link:
- description: News on the ISTA website
relation: press_release
url: https://ista.ac.at/en/news/topology-of-rotating-molecules/
scopus_import: '1'
status: public
title: Topological charges of periodically kicked molecules
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 130
year: '2023'
...
---
_id: '12790'
abstract:
- lang: eng
text: Motivated by the recent discoveries of superconductivity in bilayer and trilayer
graphene, we theoretically investigate superconductivity and other interaction-driven
phases in multilayer graphene stacks. To this end, we study the density of states
of multilayer graphene with up to four layers at the single-particle band structure
level in the presence of a transverse electric field. Among the considered structures,
tetralayer graphene with rhombohedral (ABCA) stacking reaches the highest density
of states. We study the phases that can arise in ABCA graphene by tuning the carrier
density and transverse electric field. For a broad region of the tuning parameters,
the presence of strong Coulomb repulsion leads to a spontaneous spin and valley
symmetry breaking via Stoner transitions. Using a model that incorporates the
spontaneous spin and valley polarization, we explore the Kohn-Luttinger mechanism
for superconductivity driven by repulsive Coulomb interactions. We find that the
strongest superconducting instability is in the p-wave channel, and occurs in
proximity to the onset of Stoner transitions. Interestingly, we find a range of
densities and transverse electric fields where superconductivity develops out
of a strongly corrugated, singly connected Fermi surface in each valley, leading
to a topologically nontrivial chiral p+ip superconducting state with an even number
of copropagating chiral Majorana edge modes. Our work establishes ABCA-stacked
tetralayer graphene as a promising platform for observing strongly correlated
physics and topological superconductivity.
acknowledgement: E.B. and T.H. were supported by the European Research Council (ERC)
under grant HQMAT (Grant Agreement No. 817799), by the Israel-USA Binational Science
Foundation (BSF), and by a Research grant from Irving and Cherna Moskowitz.
article_number: '104502'
article_processing_charge: No
article_type: original
author:
- first_name: Areg
full_name: Ghazaryan, Areg
id: 4AF46FD6-F248-11E8-B48F-1D18A9856A87
last_name: Ghazaryan
orcid: 0000-0001-9666-3543
- first_name: Tobias
full_name: Holder, Tobias
last_name: Holder
- first_name: Erez
full_name: Berg, Erez
last_name: Berg
- first_name: Maksym
full_name: Serbyn, Maksym
id: 47809E7E-F248-11E8-B48F-1D18A9856A87
last_name: Serbyn
orcid: 0000-0002-2399-5827
citation:
ama: Ghazaryan A, Holder T, Berg E, Serbyn M. Multilayer graphenes as a platform
for interaction-driven physics and topological superconductivity. Physical
Review B. 2023;107(10). doi:10.1103/PhysRevB.107.104502
apa: Ghazaryan, A., Holder, T., Berg, E., & Serbyn, M. (2023). Multilayer graphenes
as a platform for interaction-driven physics and topological superconductivity.
Physical Review B. American Physical Society. https://doi.org/10.1103/PhysRevB.107.104502
chicago: Ghazaryan, Areg, Tobias Holder, Erez Berg, and Maksym Serbyn. “Multilayer
Graphenes as a Platform for Interaction-Driven Physics and Topological Superconductivity.”
Physical Review B. American Physical Society, 2023. https://doi.org/10.1103/PhysRevB.107.104502.
ieee: A. Ghazaryan, T. Holder, E. Berg, and M. Serbyn, “Multilayer graphenes as
a platform for interaction-driven physics and topological superconductivity,”
Physical Review B, vol. 107, no. 10. American Physical Society, 2023.
ista: Ghazaryan A, Holder T, Berg E, Serbyn M. 2023. Multilayer graphenes as a platform
for interaction-driven physics and topological superconductivity. Physical Review
B. 107(10), 104502.
mla: Ghazaryan, Areg, et al. “Multilayer Graphenes as a Platform for Interaction-Driven
Physics and Topological Superconductivity.” Physical Review B, vol. 107,
no. 10, 104502, American Physical Society, 2023, doi:10.1103/PhysRevB.107.104502.
short: A. Ghazaryan, T. Holder, E. Berg, M. Serbyn, Physical Review B 107 (2023).
date_created: 2023-04-02T22:01:10Z
date_published: 2023-03-01T00:00:00Z
date_updated: 2023-08-01T13:59:29Z
day: '01'
department:
- _id: MaSe
- _id: MiLe
doi: 10.1103/PhysRevB.107.104502
external_id:
arxiv:
- '2211.02492'
isi:
- '000945526400003'
intvolume: ' 107'
isi: 1
issue: '10'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.48550/arXiv.2211.02492
month: '03'
oa: 1
oa_version: Preprint
publication: Physical Review B
publication_identifier:
eissn:
- 2469-9969
issn:
- 2469-9950
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
related_material:
link:
- description: News on the ISTA website
relation: press_release
url: https://ista.ac.at/en/news/reaching-superconductivity-layer-by-layer/
scopus_import: '1'
status: public
title: Multilayer graphenes as a platform for interaction-driven physics and topological
superconductivity
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 107
year: '2023'
...
---
_id: '12791'
abstract:
- lang: eng
text: We investigate the capabilities of Physics-Informed Neural Networks (PINNs)
to reconstruct turbulent Rayleigh–Bénard flows using only temperature information.
We perform a quantitative analysis of the quality of the reconstructions at various
amounts of low-passed-filtered information and turbulent intensities. We compare
our results with those obtained via nudging, a classical equation-informed data
assimilation technique. At low Rayleigh numbers, PINNs are able to reconstruct
with high precision, comparable to the one achieved with nudging. At high Rayleigh
numbers, PINNs outperform nudging and are able to achieve satisfactory reconstruction
of the velocity fields only when data for temperature is provided with high spatial
and temporal density. When data becomes sparse, the PINNs performance worsens,
not only in a point-to-point error sense but also, and contrary to nudging, in
a statistical sense, as can be seen in the probability density functions and energy
spectra.
acknowledgement: This project has received partial funding from the European Research
Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Programme
(Grant Agreement No. 882340))
article_number: '16'
article_processing_charge: No
article_type: original
author:
- first_name: Patricio
full_name: Clark Di Leoni, Patricio
last_name: Clark Di Leoni
- first_name: Lokahith N
full_name: Agasthya, Lokahith N
id: cd100965-0804-11ed-9c55-f4878ff4e877
last_name: Agasthya
- first_name: Michele
full_name: Buzzicotti, Michele
last_name: Buzzicotti
- first_name: Luca
full_name: Biferale, Luca
last_name: Biferale
citation:
ama: Clark Di Leoni P, Agasthya LN, Buzzicotti M, Biferale L. Reconstructing Rayleigh–Bénard
flows out of temperature-only measurements using Physics-Informed Neural Networks.
The European Physical Journal E. 2023;46(3). doi:10.1140/epje/s10189-023-00276-9
apa: Clark Di Leoni, P., Agasthya, L. N., Buzzicotti, M., & Biferale, L. (2023).
Reconstructing Rayleigh–Bénard flows out of temperature-only measurements using
Physics-Informed Neural Networks. The European Physical Journal E. Springer
Nature. https://doi.org/10.1140/epje/s10189-023-00276-9
chicago: Clark Di Leoni, Patricio, Lokahith N Agasthya, Michele Buzzicotti, and
Luca Biferale. “Reconstructing Rayleigh–Bénard Flows out of Temperature-Only Measurements
Using Physics-Informed Neural Networks.” The European Physical Journal E.
Springer Nature, 2023. https://doi.org/10.1140/epje/s10189-023-00276-9.
ieee: P. Clark Di Leoni, L. N. Agasthya, M. Buzzicotti, and L. Biferale, “Reconstructing
Rayleigh–Bénard flows out of temperature-only measurements using Physics-Informed
Neural Networks,” The European Physical Journal E, vol. 46, no. 3. Springer
Nature, 2023.
ista: Clark Di Leoni P, Agasthya LN, Buzzicotti M, Biferale L. 2023. Reconstructing
Rayleigh–Bénard flows out of temperature-only measurements using Physics-Informed
Neural Networks. The European Physical Journal E. 46(3), 16.
mla: Clark Di Leoni, Patricio, et al. “Reconstructing Rayleigh–Bénard Flows out
of Temperature-Only Measurements Using Physics-Informed Neural Networks.” The
European Physical Journal E, vol. 46, no. 3, 16, Springer Nature, 2023, doi:10.1140/epje/s10189-023-00276-9.
short: P. Clark Di Leoni, L.N. Agasthya, M. Buzzicotti, L. Biferale, The European
Physical Journal E 46 (2023).
date_created: 2023-04-02T22:01:11Z
date_published: 2023-03-20T00:00:00Z
date_updated: 2023-08-01T14:03:47Z
day: '20'
department:
- _id: CaMu
doi: 10.1140/epje/s10189-023-00276-9
external_id:
arxiv:
- '2301.07769'
isi:
- '000956387200001'
intvolume: ' 46'
isi: 1
issue: '3'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: ' https://doi.org/10.48550/arXiv.2301.07769'
month: '03'
oa: 1
oa_version: Preprint
publication: The European Physical Journal E
publication_identifier:
eissn:
- 1292-895X
issn:
- 1292-8941
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Reconstructing Rayleigh–Bénard flows out of temperature-only measurements using
Physics-Informed Neural Networks
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 46
year: '2023'
...
---
_id: '12830'
abstract:
- lang: eng
text: Interstitial fluid (IF) accumulation between embryonic cells is thought to
be important for embryo patterning and morphogenesis. Here, we identify a positive
mechanical feedback loop between cell migration and IF relocalization and find
that it promotes embryonic axis formation during zebrafish gastrulation. We show
that anterior axial mesendoderm (prechordal plate [ppl]) cells, moving in between
the yolk cell and deep cell tissue to extend the embryonic axis, compress the
overlying deep cell layer, thereby causing IF to flow from the deep cell layer
to the boundary between the yolk cell and the deep cell layer, directly ahead
of the advancing ppl. This IF relocalization, in turn, facilitates ppl cell protrusion
formation and migration by opening up the space into which the ppl moves and,
thereby, the ability of the ppl to trigger IF relocalization by pushing against
the overlying deep cell layer. Thus, embryonic axis formation relies on a hydraulic
feedback loop between cell migration and IF relocalization.
acknowledged_ssus:
- _id: PreCl
- _id: Bio
acknowledgement: We thank Andrea Pauli (IMP) and Edouard Hannezo (ISTA) for fruitful
discussions and support with the SPIM experiments; the Heisenberg group, and especially
Feyza Nur Arslan and Alexandra Schauer, for discussions and feedback; Michaela Jović
(ISTA) for help with the quantitative real-time PCR protocol; the bioimaging and
zebrafish facilities of ISTA for continuous support; Stephan Preibisch (Janelia
Research Campus) for support with the SPIM data analysis; and Nobuhiro Nakamura
(Tokyo Institute of Technology) for sharing α1-Na+/K+-ATPase antibody. This work
was supported by funding from the European Union (European Research Council Advanced
grant 742573 to C.-P.H.), postdoctoral fellowships from EMBO (LTF-850-2017) and
HFSP (LT000429/2018-L2) to D.P., and a PhD fellowship from the Studienstiftung des
deutschen Volkes to F.P.
article_processing_charge: Yes (via OA deal)
article_type: original
author:
- first_name: Karla
full_name: Huljev, Karla
id: 44C6F6A6-F248-11E8-B48F-1D18A9856A87
last_name: Huljev
- first_name: Shayan
full_name: Shamipour, Shayan
id: 40B34FE2-F248-11E8-B48F-1D18A9856A87
last_name: Shamipour
- first_name: Diana C
full_name: Nunes Pinheiro, Diana C
id: 2E839F16-F248-11E8-B48F-1D18A9856A87
last_name: Nunes Pinheiro
orcid: 0000-0003-4333-7503
- first_name: Friedrich
full_name: Preusser, Friedrich
last_name: Preusser
- first_name: Irene
full_name: Steccari, Irene
id: 2705C766-9FE2-11EA-B224-C6773DDC885E
last_name: Steccari
- first_name: Christoph M
full_name: Sommer, Christoph M
id: 4DF26D8C-F248-11E8-B48F-1D18A9856A87
last_name: Sommer
orcid: 0000-0003-1216-9105
- first_name: Suyash
full_name: Naik, Suyash
id: 2C0B105C-F248-11E8-B48F-1D18A9856A87
last_name: Naik
orcid: 0000-0001-8421-5508
- first_name: Carl-Philipp J
full_name: Heisenberg, Carl-Philipp J
id: 39427864-F248-11E8-B48F-1D18A9856A87
last_name: Heisenberg
orcid: 0000-0002-0912-4566
citation:
ama: Huljev K, Shamipour S, Nunes Pinheiro DC, et al. A hydraulic feedback loop
between mesendoderm cell migration and interstitial fluid relocalization promotes
embryonic axis formation in zebrafish. Developmental Cell. 2023;58(7):582-596.e7.
doi:10.1016/j.devcel.2023.02.016
apa: Huljev, K., Shamipour, S., Nunes Pinheiro, D. C., Preusser, F., Steccari, I.,
Sommer, C. M., … Heisenberg, C.-P. J. (2023). A hydraulic feedback loop between
mesendoderm cell migration and interstitial fluid relocalization promotes embryonic
axis formation in zebrafish. Developmental Cell. Elsevier. https://doi.org/10.1016/j.devcel.2023.02.016
chicago: Huljev, Karla, Shayan Shamipour, Diana C Nunes Pinheiro, Friedrich Preusser,
Irene Steccari, Christoph M Sommer, Suyash Naik, and Carl-Philipp J Heisenberg.
“A Hydraulic Feedback Loop between Mesendoderm Cell Migration and Interstitial
Fluid Relocalization Promotes Embryonic Axis Formation in Zebrafish.” Developmental
Cell. Elsevier, 2023. https://doi.org/10.1016/j.devcel.2023.02.016.
ieee: K. Huljev et al., “A hydraulic feedback loop between mesendoderm cell
migration and interstitial fluid relocalization promotes embryonic axis formation
in zebrafish,” Developmental Cell, vol. 58, no. 7. Elsevier, p. 582–596.e7,
2023.
ista: Huljev K, Shamipour S, Nunes Pinheiro DC, Preusser F, Steccari I, Sommer CM,
Naik S, Heisenberg C-PJ. 2023. A hydraulic feedback loop between mesendoderm cell
migration and interstitial fluid relocalization promotes embryonic axis formation
in zebrafish. Developmental Cell. 58(7), 582–596.e7.
mla: Huljev, Karla, et al. “A Hydraulic Feedback Loop between Mesendoderm Cell Migration
and Interstitial Fluid Relocalization Promotes Embryonic Axis Formation in Zebrafish.”
Developmental Cell, vol. 58, no. 7, Elsevier, 2023, p. 582–596.e7, doi:10.1016/j.devcel.2023.02.016.
short: K. Huljev, S. Shamipour, D.C. Nunes Pinheiro, F. Preusser, I. Steccari, C.M.
Sommer, S. Naik, C.-P.J. Heisenberg, Developmental Cell 58 (2023) 582–596.e7.
date_created: 2023-04-16T22:01:07Z
date_published: 2023-04-10T00:00:00Z
date_updated: 2023-08-01T14:10:38Z
day: '10'
ddc:
- '570'
department:
- _id: CaHe
- _id: Bio
doi: 10.1016/j.devcel.2023.02.016
ec_funded: 1
external_id:
isi:
- '000982111800001'
file:
- access_level: open_access
checksum: c80ca2ebc241232aacdb5aa4b4c80957
content_type: application/pdf
creator: dernst
date_created: 2023-04-17T07:41:25Z
date_updated: 2023-04-17T07:41:25Z
file_id: '12842'
file_name: 2023_DevelopmentalCell_Huljev.pdf
file_size: 7925886
relation: main_file
success: 1
file_date_updated: 2023-04-17T07:41:25Z
has_accepted_license: '1'
intvolume: ' 58'
isi: 1
issue: '7'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
page: 582-596.e7
project:
- _id: 260F1432-B435-11E9-9278-68D0E5697425
call_identifier: H2020
grant_number: '742573'
name: Interaction and feedback between cell mechanics and fate specification in
vertebrate gastrulation
- _id: 26520D1E-B435-11E9-9278-68D0E5697425
grant_number: ALTF 850-2017
name: Coordination of mesendoderm cell fate specification and internalization during
zebrafish gastrulation
- _id: 266BC5CE-B435-11E9-9278-68D0E5697425
grant_number: LT000429
name: Coordination of mesendoderm fate specification and internalization during
zebrafish gastrulation
publication: Developmental Cell
publication_identifier:
eissn:
- 1878-1551
issn:
- 1534-5807
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: A hydraulic feedback loop between mesendoderm cell migration and interstitial
fluid relocalization promotes embryonic axis formation in zebrafish
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: 58
year: '2023'
...
---
_id: '12831'
abstract:
- lang: eng
text: The angulon, a quasiparticle formed by a quantum rotor dressed by the excitations
of a many-body bath, can be used to describe an impurity rotating in a fluid or
solid environment. Here, we propose a coherent state ansatz in the co-rotating
frame, which provides a comprehensive theoretical description of angulons. We
reveal the quasiparticle properties, such as energies, quasiparticle weights,
and spectral functions, and show that our ansatz yields a persistent decrease
in the impurity’s rotational constant due to many-body dressing, which is consistent
with experimental observations. From our study, a picture of the angulon emerges
as an effective spin interacting with a magnetic field that is self-consistently
generated by the molecule’s rotation. Moreover, we discuss rotational spectroscopy,
which focuses on the response of rotating molecules to a laser perturbation in
the linear response regime. Importantly, we take into account initial-state interactions
that have been neglected in prior studies and reveal their impact on the excitation
spectrum. To examine the angulon instability regime, we use a single-excitation
ansatz and obtain results consistent with experiments, in which a broadening of
spectral lines is observed while phonon wings remain highly suppressed due to
initial-state interactions.
acknowledgement: We thank Ignacio Cirac, Christian Schmauder, and Henrik Stapelfeldt
for their valuable discussions. We acknowledge support by the Max Planck Society
and the Deutsche Forschungsgemeinschaft under Germany’s Excellence Strategy EXC
2181/1—390900948 (the Heidelberg STRUCTURES Excellence Cluster). M.L. acknowledges
support from the European Research Council (ERC) Starting Grant No. 801770 (ANGULON).
T.S. is supported by the National Key Research and Development Program of China
(Grant No. 2017YFA0718304) and the National Natural Science Foundation of China
(Grant Nos. 11974363, 12135018, and 12047503).
article_number: '134301'
article_processing_charge: No
article_type: original
author:
- first_name: Zhongda
full_name: Zeng, Zhongda
last_name: Zeng
- first_name: Enderalp
full_name: Yakaboylu, Enderalp
id: 38CB71F6-F248-11E8-B48F-1D18A9856A87
last_name: Yakaboylu
orcid: 0000-0001-5973-0874
- first_name: Mikhail
full_name: Lemeshko, Mikhail
id: 37CB05FA-F248-11E8-B48F-1D18A9856A87
last_name: Lemeshko
orcid: 0000-0002-6990-7802
- first_name: Tao
full_name: Shi, Tao
last_name: Shi
- first_name: Richard
full_name: Schmidt, Richard
last_name: Schmidt
citation:
ama: Zeng Z, Yakaboylu E, Lemeshko M, Shi T, Schmidt R. Variational theory of angulons
and their rotational spectroscopy. The Journal of Chemical Physics. 2023;158(13).
doi:10.1063/5.0135893
apa: Zeng, Z., Yakaboylu, E., Lemeshko, M., Shi, T., & Schmidt, R. (2023). Variational
theory of angulons and their rotational spectroscopy. The Journal of Chemical
Physics. American Institute of Physics. https://doi.org/10.1063/5.0135893
chicago: Zeng, Zhongda, Enderalp Yakaboylu, Mikhail Lemeshko, Tao Shi, and Richard
Schmidt. “Variational Theory of Angulons and Their Rotational Spectroscopy.” The
Journal of Chemical Physics. American Institute of Physics, 2023. https://doi.org/10.1063/5.0135893.
ieee: Z. Zeng, E. Yakaboylu, M. Lemeshko, T. Shi, and R. Schmidt, “Variational theory
of angulons and their rotational spectroscopy,” The Journal of Chemical Physics,
vol. 158, no. 13. American Institute of Physics, 2023.
ista: Zeng Z, Yakaboylu E, Lemeshko M, Shi T, Schmidt R. 2023. Variational theory
of angulons and their rotational spectroscopy. The Journal of Chemical Physics.
158(13), 134301.
mla: Zeng, Zhongda, et al. “Variational Theory of Angulons and Their Rotational
Spectroscopy.” The Journal of Chemical Physics, vol. 158, no. 13, 134301,
American Institute of Physics, 2023, doi:10.1063/5.0135893.
short: Z. Zeng, E. Yakaboylu, M. Lemeshko, T. Shi, R. Schmidt, The Journal of Chemical
Physics 158 (2023).
date_created: 2023-04-16T22:01:07Z
date_published: 2023-04-07T00:00:00Z
date_updated: 2023-08-01T14:08:47Z
day: '07'
ddc:
- '530'
department:
- _id: MiLe
doi: 10.1063/5.0135893
ec_funded: 1
external_id:
arxiv:
- '2211.08070'
isi:
- '000970038800001'
file:
- access_level: open_access
checksum: 8d801babea4df48e08895c76571bb19e
content_type: application/pdf
creator: dernst
date_created: 2023-04-17T07:28:38Z
date_updated: 2023-04-17T07:28:38Z
file_id: '12841'
file_name: 2023_JourChemicalPhysics_Zeng.pdf
file_size: 7388057
relation: main_file
success: 1
file_date_updated: 2023-04-17T07:28:38Z
has_accepted_license: '1'
intvolume: ' 158'
isi: 1
issue: '13'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
project:
- _id: 2688CF98-B435-11E9-9278-68D0E5697425
call_identifier: H2020
grant_number: '801770'
name: 'Angulon: physics and applications of a new quasiparticle'
publication: The Journal of Chemical Physics
publication_identifier:
eissn:
- 1089-7690
publication_status: published
publisher: American Institute of Physics
quality_controlled: '1'
scopus_import: '1'
status: public
title: Variational theory of angulons and their rotational spectroscopy
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: 158
year: '2023'
...
---
_id: '12839'
abstract:
- lang: eng
text: Universal nonequilibrium properties of isolated quantum systems are typically
probed by studying transport of conserved quantities, such as charge or spin,
while transport of energy has received considerably less attention. Here, we study
infinite-temperature energy transport in the kinetically constrained PXP model
describing Rydberg atom quantum simulators. Our state-of-the-art numerical simulations,
including exact diagonalization and time-evolving block decimation methods, reveal
the existence of two distinct transport regimes. At moderate times, the energy-energy
correlation function displays periodic oscillations due to families of eigenstates
forming different su(2) representations hidden within the spectrum. These families
of eigenstates generalize the quantum many-body scarred states found in previous
works and leave an imprint on the infinite-temperature energy transport. At later
times, we observe a long-lived superdiffusive transport regime that we attribute
to the proximity of a nearby integrable point. While generic strong deformations
of the PXP model indeed restore diffusive transport, adding a strong chemical
potential intriguingly gives rise to a well-converged superdiffusive exponent
z≈3/2. Our results suggest constrained models to be potential hosts of novel transport
regimes and call for developing an analytic understanding of their energy transport.
acknowledgement: "We would like to thank Alexios Michailidis, Sarang Gopalakrishnan,
and Achilleas Lazarides for useful comments. M. L. and M. S. acknowledge support
by the European Research Council under the European Union’s Horizon 2020 research
and innovation program (Grant\r\nAgreement No. 850899). J.-Y. D. and Z. P. acknowledge
support by EPSRC Grant No. EP/R513258/1 and the Leverhulme Trust Research Leadership
Grant No. RL2019-015. Statement of compliance with EPSRC policy framework on research
data: This publication is theoretical work that does not require supporting research
data. M. S., M. L., and Z. P. acknowledge support by the Erwin Schrödinger International
Institute for Mathematics and\r\nPhysics. M. L. and M. S. acknowledge PRACE for
awarding us access to Joliot-Curie at GENCI@CEA, France, where the TEBD simulations
were performed. The TEBD\r\nsimulations were performed using the ITENSOR library
[54]."
article_number: '011033'
article_processing_charge: No
article_type: original
author:
- first_name: Marko
full_name: Ljubotina, Marko
id: F75EE9BE-5C90-11EA-905D-16643DDC885E
last_name: Ljubotina
- first_name: Jean Yves
full_name: Desaules, Jean Yves
last_name: Desaules
- first_name: Maksym
full_name: Serbyn, Maksym
id: 47809E7E-F248-11E8-B48F-1D18A9856A87
last_name: Serbyn
orcid: 0000-0002-2399-5827
- first_name: Zlatko
full_name: Papić, Zlatko
last_name: Papić
citation:
ama: Ljubotina M, Desaules JY, Serbyn M, Papić Z. Superdiffusive energy transport
in kinetically constrained models. Physical Review X. 2023;13(1). doi:10.1103/PhysRevX.13.011033
apa: Ljubotina, M., Desaules, J. Y., Serbyn, M., & Papić, Z. (2023). Superdiffusive
energy transport in kinetically constrained models. Physical Review X.
American Physical Society. https://doi.org/10.1103/PhysRevX.13.011033
chicago: Ljubotina, Marko, Jean Yves Desaules, Maksym Serbyn, and Zlatko Papić.
“Superdiffusive Energy Transport in Kinetically Constrained Models.” Physical
Review X. American Physical Society, 2023. https://doi.org/10.1103/PhysRevX.13.011033.
ieee: M. Ljubotina, J. Y. Desaules, M. Serbyn, and Z. Papić, “Superdiffusive energy
transport in kinetically constrained models,” Physical Review X, vol. 13,
no. 1. American Physical Society, 2023.
ista: Ljubotina M, Desaules JY, Serbyn M, Papić Z. 2023. Superdiffusive energy transport
in kinetically constrained models. Physical Review X. 13(1), 011033.
mla: Ljubotina, Marko, et al. “Superdiffusive Energy Transport in Kinetically Constrained
Models.” Physical Review X, vol. 13, no. 1, 011033, American Physical Society,
2023, doi:10.1103/PhysRevX.13.011033.
short: M. Ljubotina, J.Y. Desaules, M. Serbyn, Z. Papić, Physical Review X 13 (2023).
date_created: 2023-04-16T22:01:09Z
date_published: 2023-03-07T00:00:00Z
date_updated: 2023-08-01T14:11:28Z
day: '07'
ddc:
- '530'
department:
- _id: MaSe
doi: 10.1103/PhysRevX.13.011033
ec_funded: 1
external_id:
isi:
- '000957625700001'
file:
- access_level: open_access
checksum: ee060cea609af79bba7af74b1ce28078
content_type: application/pdf
creator: dernst
date_created: 2023-04-17T08:36:53Z
date_updated: 2023-04-17T08:36:53Z
file_id: '12845'
file_name: 2023_PhysReviewX_Ljubotina.pdf
file_size: 1958523
relation: main_file
success: 1
file_date_updated: 2023-04-17T08:36:53Z
has_accepted_license: '1'
intvolume: ' 13'
isi: 1
issue: '1'
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
project:
- _id: 23841C26-32DE-11EA-91FC-C7463DDC885E
call_identifier: H2020
grant_number: '850899'
name: 'Non-Ergodic Quantum Matter: Universality, Dynamics and Control'
publication: Physical Review X
publication_identifier:
eissn:
- 2160-3308
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Superdiffusive energy transport in kinetically constrained models
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: 13
year: '2023'
...
---
_id: '12832'
abstract:
- lang: eng
text: The development of cost-effective, high-activity and stable bifunctional catalysts
for the oxygen reduction and evolution reactions (ORR/OER) is essential for zinc–air
batteries (ZABs) to reach the market. Such catalysts must contain multiple adsorption/reaction
sites to cope with the high demands of reversible oxygen electrodes. Herein, we
propose a high entropy alloy (HEA) based on relatively abundant elements as a
bifunctional ORR/OER catalyst. More specifically, we detail the synthesis of a
CrMnFeCoNi HEA through a low-temperature solution-based approach. Such HEA displays
superior OER performance with an overpotential of 265 mV at a current density
of 10 mA/cm2, and a 37.9 mV/dec Tafel slope, well above the properties of a standard
commercial catalyst based on RuO2. This high performance is partially explained
by the presence of twinned defects, the incidence of large lattice distortions,
and the electronic synergy between the different components, being Cr key to decreasing
the energy barrier of the OER rate-determining step. CrMnFeCoNi also displays
superior ORR performance with a half-potential of 0.78 V and an onset potential
of 0.88 V, comparable with commercial Pt/C. The potential gap (Egap) between the
OER overpotential and the ORR half-potential of CrMnFeCoNi is just 0.734 V. Taking
advantage of these outstanding properties, ZABs are assembled using the CrMnFeCoNi
HEA as air cathode and a zinc foil as the anode. The assembled cells provide an
open-circuit voltage of 1.489 V, i.e. 90% of its theoretical limit (1.66 V), a
peak power density of 116.5 mW/cm2, and a specific capacity of 836 mAh/g that
stays stable for more than 10 days of continuous cycling, i.e. 720 cycles @ 8
mA/cm2 and 16.6 days of continuous cycling, i.e. 1200 cycles @ 5 mA/cm2.
acknowledged_ssus:
- _id: EM-Fac
acknowledgement: 'The authors thank the support from the project COMBENERGY, PID2019-105490RB-C32,
from the Spanish Ministerio de Ciencia e Innovación. The authors acknowledge funding
from Generalitat de Catalunya 2021 SGR 01581 and 2021 SGR 00457. ICN2 acknowledges
the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706). IREC and
ICN2 are funded by the CERCA Programme from the Generalitat de Catalunya. ICN2 is
supported by the Severo Ochoa program from Spanish MCIN / AEI (Grant No.: CEX2021-001214-S).
ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327. This study
was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1)
and Generalitat de Catalunya. The authors thank the support from the project NANOGEN
(PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/ and by “ERDF
A way of making Europe”, by the “European Union”. Part of the present work has been
performed in the frameworks of Universitat de Barcelona Nanoscience PhD program.
This research was supported by the Scientific Service Units (SSU) of IST Austria
through resources provided by Electron Microscopy Facility (EMF). S. Lee. and M.
Ibáñez acknowledge funding by IST Austria and the Werner Siemens Foundation. J.
Llorca is a Serra Húnter Fellow and is grateful to ICREA Academia program and projects
MICINN/FEDER PID2021-124572OB-C31 and GC 2017 SGR 128. L. L.Yang thanks the China
Scholarship Council (CSC) for the scholarship support (202008130132). Z. F. Liang
acknowledges funding from MINECO SO-FPT PhD grant (SEV-2013-0295-17-1). J. W. Chen
and Y. Xu thank the support from The Key Research and Development Program of Hebei
Province (No. 20314305D) and the cooperative scientific research project of the
“Chunhui Program” of the Ministry of Education (2018-7). This work was supported
by the Natural Science Foundation of Sichuan province (NSFSC) and funded by the
Science and Technology Department of Sichuan Province (2022NSFSC1229).'
article_processing_charge: No
article_type: original
author:
- first_name: Ren
full_name: He, Ren
last_name: He
- first_name: Linlin
full_name: Yang, Linlin
last_name: Yang
- first_name: Yu
full_name: Zhang, Yu
last_name: Zhang
- first_name: Xiang
full_name: Wang, Xiang
last_name: Wang
- first_name: Seungho
full_name: Lee, Seungho
id: BB243B88-D767-11E9-B658-BC13E6697425
last_name: Lee
orcid: 0000-0002-6962-8598
- first_name: Ting
full_name: Zhang, Ting
last_name: Zhang
- first_name: Lingxiao
full_name: Li, Lingxiao
last_name: Li
- first_name: Zhifu
full_name: Liang, Zhifu
last_name: Liang
- first_name: Jingwei
full_name: Chen, Jingwei
last_name: Chen
- first_name: Junshan
full_name: Li, Junshan
last_name: Li
- first_name: Ahmad
full_name: Ostovari Moghaddam, Ahmad
last_name: Ostovari Moghaddam
- first_name: Jordi
full_name: Llorca, Jordi
last_name: Llorca
- first_name: Maria
full_name: Ibáñez, Maria
id: 43C61214-F248-11E8-B48F-1D18A9856A87
last_name: Ibáñez
orcid: 0000-0001-5013-2843
- first_name: Jordi
full_name: Arbiol, Jordi
last_name: Arbiol
- first_name: Ying
full_name: Xu, Ying
last_name: Xu
- first_name: Andreu
full_name: Cabot, Andreu
last_name: Cabot
citation:
ama: He R, Yang L, Zhang Y, et al. A CrMnFeCoNi high entropy alloy boosting oxygen
evolution/reduction reactions and zinc-air battery performance. Energy Storage
Materials. 2023;58(4):287-298. doi:10.1016/j.ensm.2023.03.022
apa: He, R., Yang, L., Zhang, Y., Wang, X., Lee, S., Zhang, T., … Cabot, A. (2023).
A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions
and zinc-air battery performance. Energy Storage Materials. Elsevier. https://doi.org/10.1016/j.ensm.2023.03.022
chicago: He, Ren, Linlin Yang, Yu Zhang, Xiang Wang, Seungho Lee, Ting Zhang, Lingxiao
Li, et al. “A CrMnFeCoNi High Entropy Alloy Boosting Oxygen Evolution/Reduction
Reactions and Zinc-Air Battery Performance.” Energy Storage Materials.
Elsevier, 2023. https://doi.org/10.1016/j.ensm.2023.03.022.
ieee: R. He et al., “A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction
reactions and zinc-air battery performance,” Energy Storage Materials,
vol. 58, no. 4. Elsevier, pp. 287–298, 2023.
ista: He R, Yang L, Zhang Y, Wang X, Lee S, Zhang T, Li L, Liang Z, Chen J, Li J,
Ostovari Moghaddam A, Llorca J, Ibáñez M, Arbiol J, Xu Y, Cabot A. 2023. A CrMnFeCoNi
high entropy alloy boosting oxygen evolution/reduction reactions and zinc-air
battery performance. Energy Storage Materials. 58(4), 287–298.
mla: He, Ren, et al. “A CrMnFeCoNi High Entropy Alloy Boosting Oxygen Evolution/Reduction
Reactions and Zinc-Air Battery Performance.” Energy Storage Materials,
vol. 58, no. 4, Elsevier, 2023, pp. 287–98, doi:10.1016/j.ensm.2023.03.022.
short: R. He, L. Yang, Y. Zhang, X. Wang, S. Lee, T. Zhang, L. Li, Z. Liang, J.
Chen, J. Li, A. Ostovari Moghaddam, J. Llorca, M. Ibáñez, J. Arbiol, Y. Xu, A.
Cabot, Energy Storage Materials 58 (2023) 287–298.
date_created: 2023-04-16T22:01:07Z
date_published: 2023-04-01T00:00:00Z
date_updated: 2023-08-01T14:08:02Z
day: '01'
department:
- _id: MaIb
doi: 10.1016/j.ensm.2023.03.022
external_id:
isi:
- '000967601700001'
intvolume: ' 58'
isi: 1
issue: '4'
language:
- iso: eng
month: '04'
oa_version: None
page: 287-298
project:
- _id: 9B8F7476-BA93-11EA-9121-9846C619BF3A
name: 'HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of
Semiconductors for Waste Heat Recovery'
publication: Energy Storage Materials
publication_identifier:
eissn:
- 2405-8297
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: A CrMnFeCoNi high entropy alloy boosting oxygen evolution/reduction reactions
and zinc-air battery performance
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 58
year: '2023'
...
---
_id: '12822'
abstract:
- lang: eng
text: Gears and cogwheels are elemental components of machines. They restrain degrees
of freedom and channel power into a specified motion. Building and powering small-scale
cogwheels are key steps toward feasible micro and nanomachinery. Assembly, energy
injection, and control are, however, a challenge at the microscale. In contrast
with passive gears, whose function is to transmit torques from one to another,
interlocking and untethered active gears have the potential to unveil dynamics
and functions untapped by externally driven mechanisms. Here, it is shown the
assembly and control of a family of self-spinning cogwheels with varying teeth
numbers and study the interlocking of multiple cogwheels. The teeth are formed
by colloidal microswimmers that power the structure. The cogwheels are autonomous
and active, showing persistent rotation. Leveraging the angular momentum of optical
vortices, we control the direction of rotation of the cogwheels. The pairs of
interlocking and active cogwheels that roll over each other in a random walk and
have curvature-dependent mobility are studied. This behavior is leveraged to self-position
parts and program microbots, demonstrating the ability to pick up, direct, and
release a load. The work constitutes a step toward autonomous machinery with external
control as well as (re)programmable microbots and matter.
acknowledgement: 'Army Research Office. Grant Number: W911NF-20-1-0112'
article_number: '2200129'
article_processing_charge: No
article_type: original
author:
- first_name: Quentin
full_name: Martinet, Quentin
id: b37485a8-d343-11eb-a0e9-df8c484ef8ab
last_name: Martinet
- first_name: Antoine
full_name: Aubret, Antoine
last_name: Aubret
- first_name: Jérémie A
full_name: Palacci, Jérémie A
id: 8fb92548-2b22-11eb-b7c1-a3f0d08d7c7d
last_name: Palacci
orcid: 0000-0002-7253-9465
citation:
ama: Martinet Q, Aubret A, Palacci JA. Rotation control, interlocking, and self‐positioning
of active cogwheels. Advanced Intelligent Systems. 2023;5(1). doi:10.1002/aisy.202200129
apa: Martinet, Q., Aubret, A., & Palacci, J. A. (2023). Rotation control, interlocking,
and self‐positioning of active cogwheels. Advanced Intelligent Systems.
Wiley. https://doi.org/10.1002/aisy.202200129
chicago: Martinet, Quentin, Antoine Aubret, and Jérémie A Palacci. “Rotation Control,
Interlocking, and Self‐positioning of Active Cogwheels.” Advanced Intelligent
Systems. Wiley, 2023. https://doi.org/10.1002/aisy.202200129.
ieee: Q. Martinet, A. Aubret, and J. A. Palacci, “Rotation control, interlocking,
and self‐positioning of active cogwheels,” Advanced Intelligent Systems,
vol. 5, no. 1. Wiley, 2023.
ista: Martinet Q, Aubret A, Palacci JA. 2023. Rotation control, interlocking, and
self‐positioning of active cogwheels. Advanced Intelligent Systems. 5(1), 2200129.
mla: Martinet, Quentin, et al. “Rotation Control, Interlocking, and Self‐positioning
of Active Cogwheels.” Advanced Intelligent Systems, vol. 5, no. 1, 2200129,
Wiley, 2023, doi:10.1002/aisy.202200129.
short: Q. Martinet, A. Aubret, J.A. Palacci, Advanced Intelligent Systems 5 (2023).
date_created: 2023-04-12T08:30:03Z
date_published: 2023-01-01T00:00:00Z
date_updated: 2023-08-01T14:06:50Z
day: '01'
ddc:
- '530'
department:
- _id: JePa
doi: 10.1002/aisy.202200129
external_id:
arxiv:
- '2201.03333'
isi:
- '000852291200001'
file:
- access_level: open_access
checksum: d48fc41d39892e7fa0d44cb352dd46aa
content_type: application/pdf
creator: dernst
date_created: 2023-04-17T06:44:17Z
date_updated: 2023-04-17T06:44:17Z
file_id: '12840'
file_name: 2023_AdvancedIntelligentSystems_Martinet.pdf
file_size: 2414125
relation: main_file
success: 1
file_date_updated: 2023-04-17T06:44:17Z
has_accepted_license: '1'
intvolume: ' 5'
isi: 1
issue: '1'
language:
- iso: eng
month: '01'
oa: 1
oa_version: Published Version
publication: Advanced Intelligent Systems
publication_identifier:
issn:
- 2640-4567
publication_status: published
publisher: Wiley
quality_controlled: '1'
status: public
title: Rotation control, interlocking, and self‐positioning of active cogwheels
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: 5
year: '2023'
...
---
_id: '12818'
abstract:
- lang: eng
text: The multicellular organization of diverse systems, including embryos, intestines,
and tumors relies on coordinated cell migration in curved environments. In these
settings, cells establish supracellular patterns of motion, including collective
rotation and invasion. While such collective modes have been studied extensively
in flat systems, the consequences of geometrical and topological constraints on
collective migration in curved systems are largely unknown. Here, we discover
a collective mode of cell migration in rotating spherical tissues manifesting
as a propagating single-wavelength velocity wave. This wave is accompanied by
an apparently incompressible supracellular flow pattern featuring topological
defects as dictated by the spherical topology. Using a minimal active particle
model, we reveal that this collective mode arises from the effect of curvature
on the active flocking behavior of a cell layer confined to a spherical surface.
Our results thus identify curvature-induced velocity waves as a mode of collective
cell migration, impacting the dynamical organization of 3D curved tissues.
acknowledgement: We thank H. Abbaszadeh, M.J. Bowick, G. Gradziuk, M.C. Marchetti,
and S. Shankar for their helpful discussions. Funded by the Deutsche Forschungsgemeinschaft
(DFG, German Research Foundation)—Project-ID 201269156-SFB 1032 (Project B12). D.B.B.
is a NOMIS fellow supported by the NOMIS foundation and was in part supported by
a DFG fellowship within the Graduate School of Quantitative Biosciences Munich (QBM)
and Joachim Herz Stiftung. R.A. acknowledges support from the Human Frontier Science
Program (LT000475/2018-C) and from the National Science Foundation, through the
Center for the Physics of Biological Function (PHY-1734030). M.G. acknowledges support
from NIH R01GM140108 and Alfred Sloan Foundation. Funded by the Deutsche Forschungsgemeinschaft
(DFG, German Research Foundation)—Project-ID 201269156-SFB 1032 (Project B12).Open
Access funding enabled and organized by Projekt DEAL.
article_number: '1643'
article_processing_charge: No
article_type: original
author:
- first_name: Tom
full_name: Brandstätter, Tom
last_name: Brandstätter
- first_name: David
full_name: Brückner, David
id: e1e86031-6537-11eb-953a-f7ab92be508d
last_name: Brückner
orcid: 0000-0001-7205-2975
- first_name: Yu Long
full_name: Han, Yu Long
last_name: Han
- first_name: Ricard
full_name: Alert, Ricard
last_name: Alert
- first_name: Ming
full_name: Guo, Ming
last_name: Guo
- first_name: Chase P.
full_name: Broedersz, Chase P.
last_name: Broedersz
citation:
ama: Brandstätter T, Brückner D, Han YL, Alert R, Guo M, Broedersz CP. Curvature
induces active velocity waves in rotating spherical tissues. Nature Communications.
2023;14. doi:10.1038/s41467-023-37054-2
apa: Brandstätter, T., Brückner, D., Han, Y. L., Alert, R., Guo, M., & Broedersz,
C. P. (2023). Curvature induces active velocity waves in rotating spherical tissues.
Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-023-37054-2
chicago: Brandstätter, Tom, David Brückner, Yu Long Han, Ricard Alert, Ming Guo,
and Chase P. Broedersz. “Curvature Induces Active Velocity Waves in Rotating Spherical
Tissues.” Nature Communications. Springer Nature, 2023. https://doi.org/10.1038/s41467-023-37054-2.
ieee: T. Brandstätter, D. Brückner, Y. L. Han, R. Alert, M. Guo, and C. P. Broedersz,
“Curvature induces active velocity waves in rotating spherical tissues,” Nature
Communications, vol. 14. Springer Nature, 2023.
ista: Brandstätter T, Brückner D, Han YL, Alert R, Guo M, Broedersz CP. 2023. Curvature
induces active velocity waves in rotating spherical tissues. Nature Communications.
14, 1643.
mla: Brandstätter, Tom, et al. “Curvature Induces Active Velocity Waves in Rotating
Spherical Tissues.” Nature Communications, vol. 14, 1643, Springer Nature,
2023, doi:10.1038/s41467-023-37054-2.
short: T. Brandstätter, D. Brückner, Y.L. Han, R. Alert, M. Guo, C.P. Broedersz,
Nature Communications 14 (2023).
date_created: 2023-04-09T22:01:00Z
date_published: 2023-03-24T00:00:00Z
date_updated: 2023-08-01T14:05:30Z
day: '24'
ddc:
- '570'
department:
- _id: EdHa
doi: 10.1038/s41467-023-37054-2
external_id:
isi:
- '000959887700008'
pmid:
- '36964141'
file:
- access_level: open_access
checksum: 54f06f9eee11d43bab253f3492c983ba
content_type: application/pdf
creator: dernst
date_created: 2023-04-11T06:27:00Z
date_updated: 2023-04-11T06:27:00Z
file_id: '12821'
file_name: 2023_NatureComm_Brandstaetter.pdf
file_size: 4146777
relation: main_file
success: 1
file_date_updated: 2023-04-11T06:27:00Z
has_accepted_license: '1'
intvolume: ' 14'
isi: 1
language:
- iso: eng
month: '03'
oa: 1
oa_version: Published Version
pmid: 1
publication: Nature Communications
publication_identifier:
eissn:
- 2041-1723
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Curvature induces active velocity waves in rotating spherical tissues
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'
...