---
_id: '9136'
abstract:
- lang: eng
text: In this study we investigate the scaling of precipitation extremes with temperature
in the Mediterranean region by assessing against observations the present day
and future regional climate simulations performed in the frame of the HyMeX and
MED-CORDEX programs. Over the 1979–2008 period, despite differences in quantitative
precipitation simulation across the various models, the change in precipitation
extremes with respect to temperature is robust and consistent. The spatial variability
of the temperature–precipitation extremes relationship displays a hook shape across
the Mediterranean, with negative slope at high temperatures and a slope following
Clausius–Clapeyron (CC)-scaling at low temperatures. The temperature at which
the slope of the temperature–precipitation extreme relation sharply changes (or
temperature break), ranges from about 20 °C in the western Mediterranean to <10
°C in Greece. In addition, this slope is always negative in the arid regions of
the Mediterranean. The scaling of the simulated precipitation extremes is insensitive
to ocean–atmosphere coupling, while it depends very weakly on the resolution at
high temperatures for short precipitation accumulation times. In future climate
scenario simulations covering the 2070–2100 period, the temperature break shifts
to higher temperatures by a value which is on average the mean regional temperature
change due to global warming. The slope of the simulated future temperature–precipitation
extremes relationship is close to CC-scaling at temperatures below the temperature
break, while at high temperatures, the negative slope is close, but somewhat flatter
or steeper, than in the current climate depending on the model. Overall, models
predict more intense precipitation extremes in the future. Adjusting the temperature–precipitation
extremes relationship in the present climate using the CC law and the temperature
shift in the future allows the recovery of the temperature–precipitation extremes
relationship in the future climate. This implies negligible regional changes of
relative humidity in the future despite the large warming and drying over the
Mediterranean. This suggests that the Mediterranean Sea is the primary source
of moisture which counteracts the drying and warming impacts on relative humidity
in parts of the Mediterranean region.
article_processing_charge: No
article_type: original
author:
- first_name: Philippe
full_name: Drobinski, Philippe
last_name: Drobinski
- first_name: Nicolas Da
full_name: Silva, Nicolas Da
last_name: Silva
- first_name: Gérémy
full_name: Panthou, Gérémy
last_name: Panthou
- first_name: Sophie
full_name: Bastin, Sophie
last_name: Bastin
- first_name: Caroline J
full_name: Muller, Caroline J
id: f978ccb0-3f7f-11eb-b193-b0e2bd13182b
last_name: Muller
orcid: 0000-0001-5836-5350
- first_name: Bodo
full_name: Ahrens, Bodo
last_name: Ahrens
- first_name: Marco
full_name: Borga, Marco
last_name: Borga
- first_name: Dario
full_name: Conte, Dario
last_name: Conte
- first_name: Giorgia
full_name: Fosser, Giorgia
last_name: Fosser
- first_name: Filippo
full_name: Giorgi, Filippo
last_name: Giorgi
- first_name: Ivan
full_name: Güttler, Ivan
last_name: Güttler
- first_name: Vassiliki
full_name: Kotroni, Vassiliki
last_name: Kotroni
- first_name: Laurent
full_name: Li, Laurent
last_name: Li
- first_name: Efrat
full_name: Morin, Efrat
last_name: Morin
- first_name: Bariş
full_name: Önol, Bariş
last_name: Önol
- first_name: Pere
full_name: Quintana-Segui, Pere
last_name: Quintana-Segui
- first_name: Raquel
full_name: Romera, Raquel
last_name: Romera
- first_name: Csaba Zsolt
full_name: Torma, Csaba Zsolt
last_name: Torma
citation:
ama: 'Drobinski P, Silva ND, Panthou G, et al. Scaling precipitation extremes with
temperature in the Mediterranean: Past climate assessment and projection in anthropogenic
scenarios. Climate Dynamics. 2018;51(3):1237-1257. doi:10.1007/s00382-016-3083-x'
apa: 'Drobinski, P., Silva, N. D., Panthou, G., Bastin, S., Muller, C. J., Ahrens,
B., … Torma, C. Z. (2018). Scaling precipitation extremes with temperature in
the Mediterranean: Past climate assessment and projection in anthropogenic scenarios.
Climate Dynamics. Springer Nature. https://doi.org/10.1007/s00382-016-3083-x'
chicago: 'Drobinski, Philippe, Nicolas Da Silva, Gérémy Panthou, Sophie Bastin,
Caroline J Muller, Bodo Ahrens, Marco Borga, et al. “Scaling Precipitation Extremes
with Temperature in the Mediterranean: Past Climate Assessment and Projection
in Anthropogenic Scenarios.” Climate Dynamics. Springer Nature, 2018. https://doi.org/10.1007/s00382-016-3083-x.'
ieee: 'P. Drobinski et al., “Scaling precipitation extremes with temperature
in the Mediterranean: Past climate assessment and projection in anthropogenic
scenarios,” Climate Dynamics, vol. 51, no. 3. Springer Nature, pp. 1237–1257,
2018.'
ista: 'Drobinski P, Silva ND, Panthou G, Bastin S, Muller CJ, Ahrens B, Borga M,
Conte D, Fosser G, Giorgi F, Güttler I, Kotroni V, Li L, Morin E, Önol B, Quintana-Segui
P, Romera R, Torma CZ. 2018. Scaling precipitation extremes with temperature in
the Mediterranean: Past climate assessment and projection in anthropogenic scenarios.
Climate Dynamics. 51(3), 1237–1257.'
mla: 'Drobinski, Philippe, et al. “Scaling Precipitation Extremes with Temperature
in the Mediterranean: Past Climate Assessment and Projection in Anthropogenic
Scenarios.” Climate Dynamics, vol. 51, no. 3, Springer Nature, 2018, pp.
1237–57, doi:10.1007/s00382-016-3083-x.'
short: P. Drobinski, N.D. Silva, G. Panthou, S. Bastin, C.J. Muller, B. Ahrens,
M. Borga, D. Conte, G. Fosser, F. Giorgi, I. Güttler, V. Kotroni, L. Li, E. Morin,
B. Önol, P. Quintana-Segui, R. Romera, C.Z. Torma, Climate Dynamics 51 (2018)
1237–1257.
date_created: 2021-02-15T14:18:53Z
date_published: 2018-08-01T00:00:00Z
date_updated: 2022-01-24T12:40:40Z
day: '01'
doi: 10.1007/s00382-016-3083-x
extern: '1'
intvolume: ' 51'
issue: '3'
keyword:
- Atmospheric Science
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1007/s00382-016-3083-x
month: '08'
oa: 1
oa_version: Published Version
page: 1237-1257
publication: Climate Dynamics
publication_identifier:
issn:
- 0930-7575
- 1432-0894
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
status: public
title: 'Scaling precipitation extremes with temperature in the Mediterranean: Past
climate assessment and projection in anthropogenic scenarios'
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 51
year: '2018'
...
---
_id: '9229'
alternative_title:
- Molecular and cellular neuroscience
article_processing_charge: No
article_type: letter_note
author:
- first_name: Johann G
full_name: Danzl, Johann G
id: 42EFD3B6-F248-11E8-B48F-1D18A9856A87
last_name: Danzl
orcid: 0000-0001-8559-3973
citation:
ama: Danzl JG. Diffraction-unlimited optical imaging for synaptic physiology. Opera
Medica et Physiologica. 2018;4(S1):11. doi:10.20388/omp2018.00s1.001
apa: Danzl, J. G. (2018). Diffraction-unlimited optical imaging for synaptic physiology.
Opera Medica et Physiologica. Lobachevsky State University of Nizhny Novgorod.
https://doi.org/10.20388/omp2018.00s1.001
chicago: Danzl, Johann G. “Diffraction-Unlimited Optical Imaging for Synaptic Physiology.”
Opera Medica et Physiologica. Lobachevsky State University of Nizhny Novgorod,
2018. https://doi.org/10.20388/omp2018.00s1.001.
ieee: J. G. Danzl, “Diffraction-unlimited optical imaging for synaptic physiology,”
Opera Medica et Physiologica, vol. 4, no. S1. Lobachevsky State University
of Nizhny Novgorod, p. 11, 2018.
ista: Danzl JG. 2018. Diffraction-unlimited optical imaging for synaptic physiology.
Opera Medica et Physiologica. 4(S1), 11.
mla: Danzl, Johann G. “Diffraction-Unlimited Optical Imaging for Synaptic Physiology.”
Opera Medica et Physiologica, vol. 4, no. S1, Lobachevsky State University
of Nizhny Novgorod, 2018, p. 11, doi:10.20388/omp2018.00s1.001.
short: J.G. Danzl, Opera Medica et Physiologica 4 (2018) 11.
date_created: 2021-03-07T23:01:25Z
date_published: 2018-06-30T00:00:00Z
date_updated: 2021-12-03T07:31:05Z
day: '30'
department:
- _id: JoDa
doi: 10.20388/omp2018.00s1.001
intvolume: ' 4'
issue: S1
language:
- iso: eng
main_file_link:
- open_access: '1'
url: http://operamedphys.org/content/molecular-and-cellular-neuroscience
month: '06'
oa: 1
oa_version: Published Version
page: '11'
publication: Opera Medica et Physiologica
publication_identifier:
eissn:
- 2500-2295
issn:
- 2500-2287
publication_status: published
publisher: Lobachevsky State University of Nizhny Novgorod
quality_controlled: '1'
scopus_import: '1'
status: public
title: Diffraction-unlimited optical imaging for synaptic physiology
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 4
year: '2018'
...
---
_id: '9471'
abstract:
- lang: eng
text: The DEMETER (DME) DNA glycosylase catalyzes genome-wide DNA demethylation
and is required for endosperm genomic imprinting and embryo viability. Targets
of DME-mediated DNA demethylation reside in small, euchromatic, AT-rich transposons
and at the boundaries of large transposons, but how DME interacts with these diverse
chromatin states is unknown. The STRUCTURE SPECIFIC RECOGNITION PROTEIN 1 (SSRP1)
subunit of the chromatin remodeler FACT (facilitates chromatin transactions),
was previously shown to be involved in the DME-dependent regulation of genomic
imprinting in Arabidopsis endosperm. Therefore, to investigate the interaction
between DME and chromatin, we focused on the activity of the two FACT subunits,
SSRP1 and SUPPRESSOR of TY16 (SPT16), during reproduction in Arabidopsis. We found
that FACT colocalizes with nuclear DME in vivo, and that DME has two classes of
target sites, the first being euchromatic and accessible to DME, but the second,
representing over half of DME targets, requiring the action of FACT for DME-mediated
DNA demethylation genome-wide. Our results show that the FACT-dependent DME targets
are GC-rich heterochromatin domains with high nucleosome occupancy enriched with
H3K9me2 and H3K27me1. Further, we demonstrate that heterochromatin-associated
linker histone H1 specifically mediates the requirement for FACT at a subset of
DME-target loci. Overall, our results demonstrate that FACT is required for DME
targeting by facilitating its access to heterochromatin.
article_processing_charge: No
article_type: original
author:
- first_name: Jennifer M.
full_name: Frost, Jennifer M.
last_name: Frost
- first_name: M. Yvonne
full_name: Kim, M. Yvonne
last_name: Kim
- first_name: Guen Tae
full_name: Park, Guen Tae
last_name: Park
- first_name: Ping-Hung
full_name: Hsieh, Ping-Hung
last_name: Hsieh
- first_name: Miyuki
full_name: Nakamura, Miyuki
last_name: Nakamura
- first_name: Samuel J. H.
full_name: Lin, Samuel J. H.
last_name: Lin
- first_name: Hyunjin
full_name: Yoo, Hyunjin
last_name: Yoo
- first_name: Jaemyung
full_name: Choi, Jaemyung
last_name: Choi
- first_name: Yoko
full_name: Ikeda, Yoko
last_name: Ikeda
- first_name: Tetsu
full_name: Kinoshita, Tetsu
last_name: Kinoshita
- first_name: Yeonhee
full_name: Choi, Yeonhee
last_name: Choi
- first_name: Daniel
full_name: Zilberman, Daniel
id: 6973db13-dd5f-11ea-814e-b3e5455e9ed1
last_name: Zilberman
orcid: 0000-0002-0123-8649
- first_name: Robert L.
full_name: Fischer, Robert L.
last_name: Fischer
citation:
ama: Frost JM, Kim MY, Park GT, et al. FACT complex is required for DNA demethylation
at heterochromatin during reproduction in Arabidopsis. Proceedings of the National
Academy of Sciences. 2018;115(20):E4720-E4729. doi:10.1073/pnas.1713333115
apa: Frost, J. M., Kim, M. Y., Park, G. T., Hsieh, P.-H., Nakamura, M., Lin, S.
J. H., … Fischer, R. L. (2018). FACT complex is required for DNA demethylation
at heterochromatin during reproduction in Arabidopsis. Proceedings of the National
Academy of Sciences. National Academy of Sciences. https://doi.org/10.1073/pnas.1713333115
chicago: Frost, Jennifer M., M. Yvonne Kim, Guen Tae Park, Ping-Hung Hsieh, Miyuki
Nakamura, Samuel J. H. Lin, Hyunjin Yoo, et al. “FACT Complex Is Required for
DNA Demethylation at Heterochromatin during Reproduction in Arabidopsis.” Proceedings
of the National Academy of Sciences. National Academy of Sciences, 2018. https://doi.org/10.1073/pnas.1713333115.
ieee: J. M. Frost et al., “FACT complex is required for DNA demethylation
at heterochromatin during reproduction in Arabidopsis,” Proceedings of the
National Academy of Sciences, vol. 115, no. 20. National Academy of Sciences,
pp. E4720–E4729, 2018.
ista: Frost JM, Kim MY, Park GT, Hsieh P-H, Nakamura M, Lin SJH, Yoo H, Choi J,
Ikeda Y, Kinoshita T, Choi Y, Zilberman D, Fischer RL. 2018. FACT complex is required
for DNA demethylation at heterochromatin during reproduction in Arabidopsis. Proceedings
of the National Academy of Sciences. 115(20), E4720–E4729.
mla: Frost, Jennifer M., et al. “FACT Complex Is Required for DNA Demethylation
at Heterochromatin during Reproduction in Arabidopsis.” Proceedings of the
National Academy of Sciences, vol. 115, no. 20, National Academy of Sciences,
2018, pp. E4720–29, doi:10.1073/pnas.1713333115.
short: J.M. Frost, M.Y. Kim, G.T. Park, P.-H. Hsieh, M. Nakamura, S.J.H. Lin, H.
Yoo, J. Choi, Y. Ikeda, T. Kinoshita, Y. Choi, D. Zilberman, R.L. Fischer, Proceedings
of the National Academy of Sciences 115 (2018) E4720–E4729.
date_created: 2021-06-07T06:11:28Z
date_published: 2018-05-15T00:00:00Z
date_updated: 2021-12-14T07:53:40Z
day: '15'
ddc:
- '580'
department:
- _id: DaZi
doi: 10.1073/pnas.1713333115
extern: '1'
external_id:
pmid:
- '29712855'
file:
- access_level: open_access
checksum: 810260dc0e3cc3033e15c19ad0dc123e
content_type: application/pdf
creator: asandaue
date_created: 2021-06-07T06:16:38Z
date_updated: 2021-06-07T06:16:38Z
file_id: '9472'
file_name: 2018_PNAS_Frost.pdf
file_size: 3045260
relation: main_file
success: 1
file_date_updated: 2021-06-07T06:16:38Z
has_accepted_license: '1'
intvolume: ' 115'
issue: '20'
keyword:
- Multidisciplinary
language:
- iso: eng
month: '05'
oa: 1
oa_version: Published Version
page: E4720-E4729
pmid: 1
publication: Proceedings of the National Academy of Sciences
publication_identifier:
eissn:
- 1091-6490
issn:
- 0027-8424
publication_status: published
publisher: National Academy of Sciences
quality_controlled: '1'
related_material:
link:
- relation: earlier_version
url: 'https://doi.org/10.1101/187674 '
scopus_import: '1'
status: public
title: FACT complex is required for DNA demethylation at heterochromatin during reproduction
in Arabidopsis
tmp:
image: /images/cc_by_nc_nd.png
legal_code_url: https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
name: Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
(CC BY-NC-ND 4.0)
short: CC BY-NC-ND (4.0)
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 115
year: '2018'
...
---
_id: '95'
abstract:
- lang: eng
text: Electrostatic charging of insulating fine particles can be responsible for
numerous phenomena ranging from lightning in volcanic plumes to dust explosions.
However, even basic aspects of how fine particles become charged are still unclear.
Studying particle charging is challenging because it usually involves the complexities
associated with many-particle collisions. To address these issues, we introduce
a method based on acoustic levitation, which makes it possible to initiate sequences
of repeated collisions of a single submillimeter particle with a flat plate, and
to precisely measure the particle charge in situ after each collision. We show
that collisional charge transfer between insulators is dependent on the hydrophobicity
of the contacting surfaces. We use glass, which we modify by attaching nonpolar
molecules to the particle, the plate, or both. We find that hydrophilic surfaces
develop significant positive charges after contacting hydrophobic surfaces. Moreover,
we demonstrate that charging between a hydrophilic and a hydrophobic surface is
suppressed in an acidic environment and enhanced in a basic one. Application of
an electric field during each collision is found to modify the charge transfer,
again depending on surface hydrophobicity. We discuss these results within the
context of contact charging due to ion transfer, and we show that they lend strong
support to OH− ions as the charge carriers.
article_number: '035602'
arxiv: 1
author:
- first_name: Victor
full_name: Lee, Victor
last_name: Lee
- first_name: Nicole
full_name: James, Nicole
last_name: James
- first_name: Scott R
full_name: Waitukaitis, Scott R
id: 3A1FFC16-F248-11E8-B48F-1D18A9856A87
last_name: Waitukaitis
orcid: 0000-0002-2299-3176
- first_name: Heinrich
full_name: Jaeger, Heinrich
last_name: Jaeger
citation:
ama: 'Lee V, James N, Waitukaitis SR, Jaeger H. Collisional charging of individual
submillimeter particles: Using ultrasonic levitation to initiate and track charge
transfer. Physical Review Materials. 2018;2(3). doi:10.1103/PhysRevMaterials.2.035602'
apa: 'Lee, V., James, N., Waitukaitis, S. R., & Jaeger, H. (2018). Collisional
charging of individual submillimeter particles: Using ultrasonic levitation to
initiate and track charge transfer. Physical Review Materials. American
Physical Society. https://doi.org/10.1103/PhysRevMaterials.2.035602'
chicago: 'Lee, Victor, Nicole James, Scott R Waitukaitis, and Heinrich Jaeger. “Collisional
Charging of Individual Submillimeter Particles: Using Ultrasonic Levitation to
Initiate and Track Charge Transfer.” Physical Review Materials. American
Physical Society, 2018. https://doi.org/10.1103/PhysRevMaterials.2.035602.'
ieee: 'V. Lee, N. James, S. R. Waitukaitis, and H. Jaeger, “Collisional charging
of individual submillimeter particles: Using ultrasonic levitation to initiate
and track charge transfer,” Physical Review Materials, vol. 2, no. 3. American
Physical Society, 2018.'
ista: 'Lee V, James N, Waitukaitis SR, Jaeger H. 2018. Collisional charging of individual
submillimeter particles: Using ultrasonic levitation to initiate and track charge
transfer. Physical Review Materials. 2(3), 035602.'
mla: 'Lee, Victor, et al. “Collisional Charging of Individual Submillimeter Particles:
Using Ultrasonic Levitation to Initiate and Track Charge Transfer.” Physical
Review Materials, vol. 2, no. 3, 035602, American Physical Society, 2018,
doi:10.1103/PhysRevMaterials.2.035602.'
short: V. Lee, N. James, S.R. Waitukaitis, H. Jaeger, Physical Review Materials
2 (2018).
date_created: 2018-12-11T11:44:36Z
date_published: 2018-03-29T00:00:00Z
date_updated: 2021-01-12T08:22:09Z
day: '29'
doi: 10.1103/PhysRevMaterials.2.035602
extern: '1'
external_id:
arxiv:
- '1801.09278'
intvolume: ' 2'
issue: '3'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1801.09278
month: '03'
oa: 1
oa_version: Preprint
publication: Physical Review Materials
publication_status: published
publisher: American Physical Society
publist_id: '7959'
quality_controlled: '1'
status: public
title: 'Collisional charging of individual submillimeter particles: Using ultrasonic
levitation to initiate and track charge transfer'
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 2
year: '2018'
...
---
_id: '9565'
abstract:
- lang: eng
text: Let D(n,p) be the random directed graph on n vertices where each of the n(n-1)
possible arcs is present independently with probability p. A celebrated result
of Frieze shows that if p≥(logn+ω(1))/n then D(n,p) typically has a directed Hamilton
cycle, and this is best possible. In this paper, we obtain a strengthening of
this result, showing that under the same condition, the number of directed Hamilton
cycles in D(n,p) is typically n!(p(1+o(1)))n. We also prove a hitting-time version
of this statement, showing that in the random directed graph process, as soon
as every vertex has in-/out-degrees at least 1, there are typically n!(logn/n(1+o(1)))n
directed Hamilton cycles.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Asaf
full_name: Ferber, Asaf
last_name: Ferber
- first_name: Matthew Alan
full_name: Kwan, Matthew Alan
id: 5fca0887-a1db-11eb-95d1-ca9d5e0453b3
last_name: Kwan
orcid: 0000-0002-4003-7567
- first_name: Benny
full_name: Sudakov, Benny
last_name: Sudakov
citation:
ama: Ferber A, Kwan MA, Sudakov B. Counting Hamilton cycles in sparse random directed
graphs. Random Structures and Algorithms. 2018;53(4):592-603. doi:10.1002/rsa.20815
apa: Ferber, A., Kwan, M. A., & Sudakov, B. (2018). Counting Hamilton cycles
in sparse random directed graphs. Random Structures and Algorithms. Wiley.
https://doi.org/10.1002/rsa.20815
chicago: Ferber, Asaf, Matthew Alan Kwan, and Benny Sudakov. “Counting Hamilton
Cycles in Sparse Random Directed Graphs.” Random Structures and Algorithms.
Wiley, 2018. https://doi.org/10.1002/rsa.20815.
ieee: A. Ferber, M. A. Kwan, and B. Sudakov, “Counting Hamilton cycles in sparse
random directed graphs,” Random Structures and Algorithms, vol. 53, no.
4. Wiley, pp. 592–603, 2018.
ista: Ferber A, Kwan MA, Sudakov B. 2018. Counting Hamilton cycles in sparse random
directed graphs. Random Structures and Algorithms. 53(4), 592–603.
mla: Ferber, Asaf, et al. “Counting Hamilton Cycles in Sparse Random Directed Graphs.”
Random Structures and Algorithms, vol. 53, no. 4, Wiley, 2018, pp. 592–603,
doi:10.1002/rsa.20815.
short: A. Ferber, M.A. Kwan, B. Sudakov, Random Structures and Algorithms 53 (2018)
592–603.
date_created: 2021-06-18T12:06:28Z
date_published: 2018-12-01T00:00:00Z
date_updated: 2023-02-23T14:01:03Z
day: '01'
doi: 10.1002/rsa.20815
extern: '1'
external_id:
arxiv:
- '1708.07746'
intvolume: ' 53'
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1708.07746
month: '12'
oa: 1
oa_version: Preprint
page: 592-603
publication: Random Structures and Algorithms
publication_identifier:
eissn:
- 1098-2418
issn:
- 1042-9832
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: Counting Hamilton cycles in sparse random directed graphs
type: journal_article
user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf
volume: 53
year: '2018'
...
---
_id: '9567'
abstract:
- lang: eng
text: Let P be a graph property which is preserved by removal of edges, and consider
the random graph process that starts with the empty n-vertex graph and then adds
edges one-by-one, each chosen uniformly at random subject to the constraint that
P is not violated. These types of random processes have been the subject of extensive
research over the last 20 years, having striking applications in extremal combinatorics,
and leading to the discovery of important probabilistic tools. In this paper we
consider the k-matching-free process, where P is the property of not containing
a matching of size k. We are able to analyse the behaviour of this process for
a wide range of values of k; in particular we prove that if k=o(n) or if n−2k=o(n−−√/logn)
then this process is likely to terminate in a k-matching-free graph with the maximum
possible number of edges, as characterised by Erdős and Gallai. We also show that
these bounds on k are essentially best possible, and we make a first step towards
understanding the behaviour of the process in the intermediate regime.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Michael
full_name: Krivelevich, Michael
last_name: Krivelevich
- first_name: Matthew Alan
full_name: Kwan, Matthew Alan
id: 5fca0887-a1db-11eb-95d1-ca9d5e0453b3
last_name: Kwan
orcid: 0000-0002-4003-7567
- first_name: Po‐Shen
full_name: Loh, Po‐Shen
last_name: Loh
- first_name: Benny
full_name: Sudakov, Benny
last_name: Sudakov
citation:
ama: Krivelevich M, Kwan MA, Loh P, Sudakov B. The random k‐matching‐free process.
Random Structures and Algorithms. 2018;53(4):692-716. doi:10.1002/rsa.20814
apa: Krivelevich, M., Kwan, M. A., Loh, P., & Sudakov, B. (2018). The random
k‐matching‐free process. Random Structures and Algorithms. Wiley. https://doi.org/10.1002/rsa.20814
chicago: Krivelevich, Michael, Matthew Alan Kwan, Po‐Shen Loh, and Benny Sudakov.
“The Random K‐matching‐free Process.” Random Structures and Algorithms.
Wiley, 2018. https://doi.org/10.1002/rsa.20814.
ieee: M. Krivelevich, M. A. Kwan, P. Loh, and B. Sudakov, “The random k‐matching‐free
process,” Random Structures and Algorithms, vol. 53, no. 4. Wiley, pp.
692–716, 2018.
ista: Krivelevich M, Kwan MA, Loh P, Sudakov B. 2018. The random k‐matching‐free
process. Random Structures and Algorithms. 53(4), 692–716.
mla: Krivelevich, Michael, et al. “The Random K‐matching‐free Process.” Random
Structures and Algorithms, vol. 53, no. 4, Wiley, 2018, pp. 692–716, doi:10.1002/rsa.20814.
short: M. Krivelevich, M.A. Kwan, P. Loh, B. Sudakov, Random Structures and Algorithms
53 (2018) 692–716.
date_created: 2021-06-18T12:37:40Z
date_published: 2018-12-01T00:00:00Z
date_updated: 2023-02-23T14:01:07Z
day: '01'
doi: 10.1002/rsa.20814
extern: '1'
external_id:
arxiv:
- '1708.01054'
intvolume: ' 53'
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1708.01054
month: '12'
oa: 1
oa_version: Preprint
page: 692-716
publication: Random Structures and Algorithms
publication_identifier:
eissn:
- 1098-2418
issn:
- 1042-9832
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: The random k‐matching‐free process
type: journal_article
user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf
volume: 53
year: '2018'
...
---
_id: '9568'
abstract:
- lang: eng
text: An intercalate in a Latin square is a 2×2 Latin subsquare. Let N be the number
of intercalates in a uniformly random n×n Latin square. We prove that asymptotically
almost surely N≥(1−o(1))n2/4, and that EN≤(1+o(1))n2/2 (therefore asymptotically
almost surely N≤fn2 for any f→∞). This significantly improves the previous best
lower and upper bounds. We also give an upper tail bound for the number of intercalates
in two fixed rows of a random Latin square. In addition, we discuss a problem
of Linial and Luria on low-discrepancy Latin squares.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Matthew Alan
full_name: Kwan, Matthew Alan
id: 5fca0887-a1db-11eb-95d1-ca9d5e0453b3
last_name: Kwan
orcid: 0000-0002-4003-7567
- first_name: Benny
full_name: Sudakov, Benny
last_name: Sudakov
citation:
ama: Kwan MA, Sudakov B. Intercalates and discrepancy in random Latin squares. Random
Structures and Algorithms. 2018;52(2):181-196. doi:10.1002/rsa.20742
apa: Kwan, M. A., & Sudakov, B. (2018). Intercalates and discrepancy in random
Latin squares. Random Structures and Algorithms. Wiley. https://doi.org/10.1002/rsa.20742
chicago: Kwan, Matthew Alan, and Benny Sudakov. “Intercalates and Discrepancy in
Random Latin Squares.” Random Structures and Algorithms. Wiley, 2018. https://doi.org/10.1002/rsa.20742.
ieee: M. A. Kwan and B. Sudakov, “Intercalates and discrepancy in random Latin squares,”
Random Structures and Algorithms, vol. 52, no. 2. Wiley, pp. 181–196, 2018.
ista: Kwan MA, Sudakov B. 2018. Intercalates and discrepancy in random Latin squares.
Random Structures and Algorithms. 52(2), 181–196.
mla: Kwan, Matthew Alan, and Benny Sudakov. “Intercalates and Discrepancy in Random
Latin Squares.” Random Structures and Algorithms, vol. 52, no. 2, Wiley,
2018, pp. 181–96, doi:10.1002/rsa.20742.
short: M.A. Kwan, B. Sudakov, Random Structures and Algorithms 52 (2018) 181–196.
date_created: 2021-06-18T12:47:25Z
date_published: 2018-03-01T00:00:00Z
date_updated: 2023-02-23T14:01:09Z
day: '01'
doi: 10.1002/rsa.20742
extern: '1'
external_id:
arxiv:
- '1607.04981'
intvolume: ' 52'
issue: '2'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1607.04981
month: '03'
oa: 1
oa_version: Preprint
page: 181-196
publication: Random Structures and Algorithms
publication_identifier:
eissn:
- 1098-2418
issn:
- 1042-9832
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: Intercalates and discrepancy in random Latin squares
type: journal_article
user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf
volume: 52
year: '2018'
...
---
_id: '9587'
abstract:
- lang: eng
text: We say a family of sets is intersecting if any two of its sets intersect,
and we say it is trivially intersecting if there is an element which appears in
every set of the family. In this paper we study the maximum size of a non-trivially
intersecting family in a natural “multi-part” setting. Here the ground set is
divided into parts, and one considers families of sets whose intersection with
each part is of a prescribed size. Our work is motivated by classical results
in the single-part setting due to Erdős, Ko and Rado, and Hilton and Milner, and
by a theorem of Frankl concerning intersecting families in this multi-part setting.
In the case where the part sizes are sufficiently large we determine the maximum
size of a non-trivially intersecting multi-part family, disproving a conjecture
of Alon and Katona.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Matthew Alan
full_name: Kwan, Matthew Alan
id: 5fca0887-a1db-11eb-95d1-ca9d5e0453b3
last_name: Kwan
orcid: 0000-0002-4003-7567
- first_name: Benny
full_name: Sudakov, Benny
last_name: Sudakov
- first_name: Pedro
full_name: Vieira, Pedro
last_name: Vieira
citation:
ama: Kwan MA, Sudakov B, Vieira P. Non-trivially intersecting multi-part families.
Journal of Combinatorial Theory Series A. 2018;156:44-60. doi:10.1016/j.jcta.2017.12.001
apa: Kwan, M. A., Sudakov, B., & Vieira, P. (2018). Non-trivially intersecting
multi-part families. Journal of Combinatorial Theory Series A. Elsevier.
https://doi.org/10.1016/j.jcta.2017.12.001
chicago: Kwan, Matthew Alan, Benny Sudakov, and Pedro Vieira. “Non-Trivially Intersecting
Multi-Part Families.” Journal of Combinatorial Theory Series A. Elsevier,
2018. https://doi.org/10.1016/j.jcta.2017.12.001.
ieee: M. A. Kwan, B. Sudakov, and P. Vieira, “Non-trivially intersecting multi-part
families,” Journal of Combinatorial Theory Series A, vol. 156. Elsevier,
pp. 44–60, 2018.
ista: Kwan MA, Sudakov B, Vieira P. 2018. Non-trivially intersecting multi-part
families. Journal of Combinatorial Theory Series A. 156, 44–60.
mla: Kwan, Matthew Alan, et al. “Non-Trivially Intersecting Multi-Part Families.”
Journal of Combinatorial Theory Series A, vol. 156, Elsevier, 2018, pp.
44–60, doi:10.1016/j.jcta.2017.12.001.
short: M.A. Kwan, B. Sudakov, P. Vieira, Journal of Combinatorial Theory Series
A 156 (2018) 44–60.
date_created: 2021-06-22T11:42:48Z
date_published: 2018-05-01T00:00:00Z
date_updated: 2023-02-23T14:01:55Z
day: '01'
doi: 10.1016/j.jcta.2017.12.001
extern: '1'
external_id:
arxiv:
- '1703.09946'
intvolume: ' 156'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1703.09946
month: '05'
oa: 1
oa_version: Preprint
page: 44-60
publication: Journal of Combinatorial Theory Series A
publication_identifier:
issn:
- 0097-3165
publication_status: published
publisher: Elsevier
quality_controlled: '1'
scopus_import: '1'
status: public
title: Non-trivially intersecting multi-part families
type: journal_article
user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf
volume: 156
year: '2018'
...
---
_id: '9659'
abstract:
- lang: eng
text: The curvature dependence of interfacial free energy, which is crucial in quantitatively
predicting nucleation kinetics and the stability of bubbles and droplets, is quantified
by the Tolman length δ. For solid-liquid interfaces, however, δ has never been
computed directly due to various theoretical and practical challenges. Here we
perform a direct evaluation of the Tolman length from atomistic simulations of
a solid-liquid planar interface in out-of-equilibrium conditions, by first computing
the surface tension from the amplitude of thermal capillary fluctuations of a
localized version of the Gibbs dividing surface and by then calculating how much
the surface energy changes when it is defined relative to the equimolar dividing
surface. We computed δ for a model potential, and found a good agreement with
the values indirectly inferred from nucleation simulations. The agreement not
only validates our approach but also suggests that the nucleation free energy
of the system can be perfectly described using classical nucleation theory if
the Tolman length is taken into account.
article_number: '231102'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Bingqing
full_name: Cheng, Bingqing
id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
last_name: Cheng
orcid: 0000-0002-3584-9632
- first_name: Michele
full_name: Ceriotti, Michele
last_name: Ceriotti
citation:
ama: 'Cheng B, Ceriotti M. Communication: Computing the Tolman length for solid-liquid
interfaces. The Journal of Chemical Physics. 2018;148(23). doi:10.1063/1.5038396'
apa: 'Cheng, B., & Ceriotti, M. (2018). Communication: Computing the Tolman
length for solid-liquid interfaces. The Journal of Chemical Physics. AIP
Publishing. https://doi.org/10.1063/1.5038396'
chicago: 'Cheng, Bingqing, and Michele Ceriotti. “Communication: Computing the Tolman
Length for Solid-Liquid Interfaces.” The Journal of Chemical Physics. AIP
Publishing, 2018. https://doi.org/10.1063/1.5038396.'
ieee: 'B. Cheng and M. Ceriotti, “Communication: Computing the Tolman length for
solid-liquid interfaces,” The Journal of Chemical Physics, vol. 148, no.
23. AIP Publishing, 2018.'
ista: 'Cheng B, Ceriotti M. 2018. Communication: Computing the Tolman length for
solid-liquid interfaces. The Journal of Chemical Physics. 148(23), 231102.'
mla: 'Cheng, Bingqing, and Michele Ceriotti. “Communication: Computing the Tolman
Length for Solid-Liquid Interfaces.” The Journal of Chemical Physics, vol.
148, no. 23, 231102, AIP Publishing, 2018, doi:10.1063/1.5038396.'
short: B. Cheng, M. Ceriotti, The Journal of Chemical Physics 148 (2018).
date_created: 2021-07-15T07:51:42Z
date_published: 2018-06-21T00:00:00Z
date_updated: 2023-02-23T14:03:57Z
day: '21'
doi: 10.1063/1.5038396
extern: '1'
external_id:
arxiv:
- '1803.09140'
pmid:
- '29935495'
intvolume: ' 148'
issue: '23'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://doi.org/10.1063/1.5038396
month: '06'
oa: 1
oa_version: Submitted Version
pmid: 1
publication: The Journal of Chemical Physics
publication_identifier:
eissn:
- 1089-7690
issn:
- 0021-9606
publication_status: published
publisher: AIP Publishing
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Communication: Computing the Tolman length for solid-liquid interfaces'
type: journal_article
user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf
volume: 148
year: '2018'
...
---
_id: '9665'
abstract:
- lang: eng
text: We investigate the thermodynamics and kinetics of a hydrogen interstitial
in magnetic α-iron, taking account of the quantum fluctuations of the proton as
well as the anharmonicities of lattice vibrations and hydrogen hopping. We show
that the diffusivity of hydrogen in the lattice of bcc iron deviates strongly
from an Arrhenius behavior at and below room temperature. We compare a quantum
transition state theory to explicit ring polymer molecular dynamics in the calculation
of diffusivity. We then address the trapping of hydrogen by a vacancy as a prototype
lattice defect. By a sequence of steps in a thought experiment, each involving
a thermodynamic integration, we are able to separate out the binding free energy
of a proton to a defect into harmonic and anharmonic, and classical and quantum
contributions. We find that about 30% of a typical binding free energy of hydrogen
to a lattice defect in iron is accounted for by finite temperature effects, and
about half of these arise from quantum proton fluctuations. This has huge implications
for the comparison between thermal desorption and permeation experiments and standard
electronic structure theory. The implications are even greater for the interpretation
of muon spin resonance experiments.
article_number: '225901'
article_processing_charge: No
article_type: review
arxiv: 1
author:
- first_name: Bingqing
full_name: Cheng, Bingqing
id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
last_name: Cheng
orcid: 0000-0002-3584-9632
- first_name: Anthony T.
full_name: Paxton, Anthony T.
last_name: Paxton
- first_name: Michele
full_name: Ceriotti, Michele
last_name: Ceriotti
citation:
ama: 'Cheng B, Paxton AT, Ceriotti M. Hydrogen diffusion and trapping in α-iron:
The role of quantum and anharmonic fluctuations. Physical Review Letters.
2018;120(22). doi:10.1103/physrevlett.120.225901'
apa: 'Cheng, B., Paxton, A. T., & Ceriotti, M. (2018). Hydrogen diffusion and
trapping in α-iron: The role of quantum and anharmonic fluctuations. Physical
Review Letters. American Physical Society. https://doi.org/10.1103/physrevlett.120.225901'
chicago: 'Cheng, Bingqing, Anthony T. Paxton, and Michele Ceriotti. “Hydrogen Diffusion
and Trapping in α-Iron: The Role of Quantum and Anharmonic Fluctuations.” Physical
Review Letters. American Physical Society, 2018. https://doi.org/10.1103/physrevlett.120.225901.'
ieee: 'B. Cheng, A. T. Paxton, and M. Ceriotti, “Hydrogen diffusion and trapping
in α-iron: The role of quantum and anharmonic fluctuations,” Physical Review
Letters, vol. 120, no. 22. American Physical Society, 2018.'
ista: 'Cheng B, Paxton AT, Ceriotti M. 2018. Hydrogen diffusion and trapping in
α-iron: The role of quantum and anharmonic fluctuations. Physical Review Letters.
120(22), 225901.'
mla: 'Cheng, Bingqing, et al. “Hydrogen Diffusion and Trapping in α-Iron: The Role
of Quantum and Anharmonic Fluctuations.” Physical Review Letters, vol.
120, no. 22, 225901, American Physical Society, 2018, doi:10.1103/physrevlett.120.225901.'
short: B. Cheng, A.T. Paxton, M. Ceriotti, Physical Review Letters 120 (2018).
date_created: 2021-07-15T12:22:41Z
date_published: 2018-06-01T00:00:00Z
date_updated: 2021-08-09T12:36:22Z
day: '01'
doi: 10.1103/physrevlett.120.225901
extern: '1'
external_id:
arxiv:
- '1803.00600'
pmid:
- '29906144'
intvolume: ' 120'
issue: '22'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1803.00600
month: '06'
oa: 1
oa_version: Preprint
pmid: 1
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: 'Hydrogen diffusion and trapping in α-iron: The role of quantum and anharmonic
fluctuations'
type: journal_article
user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf
volume: 120
year: '2018'
...
---
_id: '9668'
abstract:
- lang: eng
text: Estimating the homogeneous ice nucleation rate from undercooled liquid water
is crucial for understanding many important physical phenomena and technological
applications, and challenging for both experiments and theory. From a theoretical
point of view, difficulties arise due to the long time scales required, as well
as the numerous nucleation pathways involved to form ice nuclei with different
stacking disorders. We computed the homogeneous ice nucleation rate at a physically
relevant undercooling for a single-site water model, taking into account the diffuse
nature of ice–water interfaces, stacking disorders in ice nuclei, and the addition
rate of particles to the critical nucleus. We disentangled and investigated the
relative importance of all the terms, including interfacial free energy, entropic
contributions and the kinetic prefactor, that contribute to the overall nucleation
rate. Breaking down the problem into pieces not only provides physical insights
into ice nucleation, but also sheds light on the long-standing discrepancy between
different theoretical predictions, as well as between theoretical and experimental
determinations of the nucleation rate. Moreover, we pinpoint the main shortcomings
and suggest strategies to systematically improve the existing simulation methods.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Bingqing
full_name: Cheng, Bingqing
id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
last_name: Cheng
orcid: 0000-0002-3584-9632
- first_name: Christoph
full_name: Dellago, Christoph
last_name: Dellago
- first_name: Michele
full_name: Ceriotti, Michele
last_name: Ceriotti
citation:
ama: 'Cheng B, Dellago C, Ceriotti M. Theoretical prediction of the homogeneous
ice nucleation rate: Disentangling thermodynamics and kinetics. Physical Chemistry
Chemical Physics. 2018;20(45):28732-28740. doi:10.1039/c8cp04561e'
apa: 'Cheng, B., Dellago, C., & Ceriotti, M. (2018). Theoretical prediction
of the homogeneous ice nucleation rate: Disentangling thermodynamics and kinetics.
Physical Chemistry Chemical Physics. Royal Society of Chemistry. https://doi.org/10.1039/c8cp04561e'
chicago: 'Cheng, Bingqing, Christoph Dellago, and Michele Ceriotti. “Theoretical
Prediction of the Homogeneous Ice Nucleation Rate: Disentangling Thermodynamics
and Kinetics.” Physical Chemistry Chemical Physics. Royal Society of Chemistry,
2018. https://doi.org/10.1039/c8cp04561e.'
ieee: 'B. Cheng, C. Dellago, and M. Ceriotti, “Theoretical prediction of the homogeneous
ice nucleation rate: Disentangling thermodynamics and kinetics,” Physical Chemistry
Chemical Physics, vol. 20, no. 45. Royal Society of Chemistry, pp. 28732–28740,
2018.'
ista: 'Cheng B, Dellago C, Ceriotti M. 2018. Theoretical prediction of the homogeneous
ice nucleation rate: Disentangling thermodynamics and kinetics. Physical Chemistry
Chemical Physics. 20(45), 28732–28740.'
mla: 'Cheng, Bingqing, et al. “Theoretical Prediction of the Homogeneous Ice Nucleation
Rate: Disentangling Thermodynamics and Kinetics.” Physical Chemistry Chemical
Physics, vol. 20, no. 45, Royal Society of Chemistry, 2018, pp. 28732–40,
doi:10.1039/c8cp04561e.'
short: B. Cheng, C. Dellago, M. Ceriotti, Physical Chemistry Chemical Physics 20
(2018) 28732–28740.
date_created: 2021-07-15T12:51:44Z
date_published: 2018-12-07T00:00:00Z
date_updated: 2021-08-09T12:36:47Z
day: '07'
doi: 10.1039/c8cp04561e
extern: '1'
external_id:
arxiv:
- '1807.05551'
pmid:
- '30412211'
intvolume: ' 20'
issue: '45'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1807.05551
month: '12'
oa: 1
oa_version: Preprint
page: 28732-28740
pmid: 1
publication: Physical Chemistry Chemical Physics
publication_identifier:
eissn:
- 1463-9084
issn:
- 1463-9076
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Theoretical prediction of the homogeneous ice nucleation rate: Disentangling
thermodynamics and kinetics'
type: journal_article
user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf
volume: 20
year: '2018'
...
---
_id: '9687'
abstract:
- lang: eng
text: The Gibbs free energy is the fundamental thermodynamic potential underlying
the relative stability of different states of matter under constant-pressure conditions.
However, computing this quantity from atomic-scale simulations is far from trivial,
so the potential energy of a system is often used as a proxy. In this paper, we
use a combination of thermodynamic integration methods to accurately evaluate
the Gibbs free energies associated with defects in crystals, including the vacancy
formation energy in bcc iron, and the stacking fault energy in fcc nickel, iron,
and cobalt. We quantify the importance of entropic and anharmonic effects in determining
the free energies of defects at high temperatures, and show that the potential
energy approximation as well as the harmonic approximation may produce inaccurate
or even qualitatively wrong results. Our calculations manifest the necessity to
employ accurate free energy methods such as thermodynamic integration to estimate
the stability of crystallographic defects at high temperatures.
article_number: '054102'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Bingqing
full_name: Cheng, Bingqing
id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
last_name: Cheng
orcid: 0000-0002-3584-9632
- first_name: Michele
full_name: Ceriotti, Michele
last_name: Ceriotti
citation:
ama: 'Cheng B, Ceriotti M. Computing the absolute Gibbs free energy in atomistic
simulations: Applications to defects in solids. Physical Review B. 2018;97(5).
doi:10.1103/physrevb.97.054102'
apa: 'Cheng, B., & Ceriotti, M. (2018). Computing the absolute Gibbs free energy
in atomistic simulations: Applications to defects in solids. Physical Review
B. American Physical Society. https://doi.org/10.1103/physrevb.97.054102'
chicago: 'Cheng, Bingqing, and Michele Ceriotti. “Computing the Absolute Gibbs Free
Energy in Atomistic Simulations: Applications to Defects in Solids.” Physical
Review B. American Physical Society, 2018. https://doi.org/10.1103/physrevb.97.054102.'
ieee: 'B. Cheng and M. Ceriotti, “Computing the absolute Gibbs free energy in atomistic
simulations: Applications to defects in solids,” Physical Review B, vol.
97, no. 5. American Physical Society, 2018.'
ista: 'Cheng B, Ceriotti M. 2018. Computing the absolute Gibbs free energy in atomistic
simulations: Applications to defects in solids. Physical Review B. 97(5), 054102.'
mla: 'Cheng, Bingqing, and Michele Ceriotti. “Computing the Absolute Gibbs Free
Energy in Atomistic Simulations: Applications to Defects in Solids.” Physical
Review B, vol. 97, no. 5, 054102, American Physical Society, 2018, doi:10.1103/physrevb.97.054102.'
short: B. Cheng, M. Ceriotti, Physical Review B 97 (2018).
date_created: 2021-07-19T09:39:48Z
date_published: 2018-02-01T00:00:00Z
date_updated: 2021-08-09T12:38:26Z
day: '01'
doi: 10.1103/physrevb.97.054102
extern: '1'
external_id:
arxiv:
- '1710.02815'
intvolume: ' 97'
issue: '5'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1710.02815
month: '02'
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: 'Computing the absolute Gibbs free energy in atomistic simulations: Applications
to defects in solids'
type: journal_article
user_id: 6785fbc1-c503-11eb-8a32-93094b40e1cf
volume: 97
year: '2018'
...
---
_id: '10'
abstract:
- lang: eng
text: Genomic imprinting is an epigenetic process that leads to parent of origin-specific
gene expression in a subset of genes. Imprinted genes are essential for brain
development, and deregulation of imprinting is associated with neurodevelopmental
diseases and the pathogenesis of psychiatric disorders. However, the cell-type
specificity of imprinting at single cell resolution, and how imprinting and thus
gene dosage regulates neuronal circuit assembly is still largely unknown. Here,
MADM (Mosaic Analysis with Double Markers) technology was employed to assess genomic
imprinting at single cell level. By visualizing MADM-induced uniparental disomies
(UPDs) in distinct colors at single cell level in genetic mosaic animals, this
experimental paradigm provides a unique quantitative platform to systematically
assay the UPD-mediated imbalances in imprinted gene expression at unprecedented
resolution. An experimental pipeline based on FACS, RNA-seq and bioinformatics
analysis was established and applied to systematically map cell-type-specific
‘imprintomes’ in the mouse brain. The results revealed that parental-specific
expression of imprinted genes per se is rarely cell-type-specific even at the
individual cell level. Conversely, when we extended the comparison to downstream
responses resulting from imbalanced imprinted gene expression, we discovered an
unexpectedly high degree of cell-type specificity. Furthermore, we determined
a novel function of genomic imprinting in cortical astrocyte production and in
olfactory bulb (OB) granule cell generation. These results suggest important functional
implication of genomic imprinting for generating cell-type diversity in the brain.
In addition, MADM provides a powerful tool to study candidate genes by concomitant
genetic manipulation and fluorescent labelling of single cells. MADM-based candidate
gene approach was utilized to identify potential imprinted genes involved in the
generation of cortical astrocytes and OB granule cells. We investigated p57Kip2,
a maternally expressed gene and known cell cycle regulator. Although we found
that p57Kip2 does not play a role in these processes, we detected an unexpected
function of the paternal allele previously thought to be silent. Finally, we took
advantage of a key property of MADM which is to allow unambiguous investigation
of environmental impact on single cells. The experimental pipeline based on FACS
and RNA-seq analysis of MADM-labeled cells was established to probe the functional
differences of single cell loss of gene function compared to global loss of function
on a transcriptional level. With this method, both common and distinct responses
were isolated due to cell-autonomous and non-autonomous effects acting on genotypically
identical cells. As a result, transcriptional changes were identified which result
solely from the surrounding environment. Using the MADM technology to study genomic
imprinting at single cell resolution, we have identified cell-type-specific gene
expression, novel gene function and the impact of environment on single cell transcriptomes.
Together, these provide important insights to the understanding of mechanisms
regulating cell-type specificity and thus diversity in the brain.
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Susanne
full_name: Laukoter, Susanne
id: 2D6B7A9A-F248-11E8-B48F-1D18A9856A87
last_name: Laukoter
orcid: 0000-0002-7903-3010
citation:
ama: Laukoter S. Role of genomic imprinting in cerebral cortex development. 2018:1-139.
doi:10.15479/AT:ISTA:th1057
apa: Laukoter, S. (2018). Role of genomic imprinting in cerebral cortex development.
Institute of Science and Technology Austria. https://doi.org/10.15479/AT:ISTA:th1057
chicago: Laukoter, Susanne. “Role of Genomic Imprinting in Cerebral Cortex Development.”
Institute of Science and Technology Austria, 2018. https://doi.org/10.15479/AT:ISTA:th1057.
ieee: S. Laukoter, “Role of genomic imprinting in cerebral cortex development,”
Institute of Science and Technology Austria, 2018.
ista: Laukoter S. 2018. Role of genomic imprinting in cerebral cortex development.
Institute of Science and Technology Austria.
mla: Laukoter, Susanne. Role of Genomic Imprinting in Cerebral Cortex Development.
Institute of Science and Technology Austria, 2018, pp. 1–139, doi:10.15479/AT:ISTA:th1057.
short: S. Laukoter, Role of Genomic Imprinting in Cerebral Cortex Development, Institute
of Science and Technology Austria, 2018.
date_created: 2018-12-11T11:44:08Z
date_published: 2018-11-21T00:00:00Z
date_updated: 2023-09-07T12:40:44Z
day: '21'
ddc:
- '570'
degree_awarded: PhD
department:
- _id: SiHi
doi: 10.15479/AT:ISTA:th1057
file:
- access_level: closed
checksum: 41fdbf5fdce312802935d88a8ad9932c
content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
creator: dernst
date_created: 2019-05-10T07:47:04Z
date_updated: 2019-11-23T23:30:03Z
embargo_to: open_access
file_id: '6396'
file_name: Thesis_LaukoterSusanne_FINAL.docx
file_size: 17949175
relation: source_file
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checksum: 53001a9a0c9e570e598d861bb0af28aa
content_type: application/pdf
creator: dernst
date_created: 2019-05-10T07:47:04Z
date_updated: 2021-02-11T11:17:16Z
embargo: 2019-11-21
file_id: '6397'
file_name: Thesis_LaukoterSusanne_FINAL.pdf
file_size: 21187245
relation: main_file
file_date_updated: 2021-02-11T11:17:16Z
has_accepted_license: '1'
language:
- iso: eng
month: '11'
oa: 1
oa_version: Published Version
page: 1 - 139
publication_identifier:
issn:
- 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
publist_id: '8046'
pubrep_id: '1057'
status: public
supervisor:
- first_name: Beatriz
full_name: Vicoso, Beatriz
id: 49E1C5C6-F248-11E8-B48F-1D18A9856A87
last_name: Vicoso
orcid: 0000-0002-4579-8306
title: Role of genomic imprinting in cerebral cortex development
type: dissertation
user_id: c635000d-4b10-11ee-a964-aac5a93f6ac1
year: '2018'
...
---
_id: '1012'
abstract:
- lang: eng
text: We prove a new central limit theorem (CLT) for the difference of linear eigenvalue
statistics of a Wigner random matrix H and its minor H and find that the fluctuation
is much smaller than the fluctuations of the individual linear statistics, as
a consequence of the strong correlation between the eigenvalues of H and H. In
particular, our theorem identifies the fluctuation of Kerov's rectangular Young
diagrams, defined by the interlacing eigenvalues ofH and H, around their asymptotic
shape, the Vershik'Kerov'Logan'Shepp curve. Young diagrams equipped with the Plancherel
measure follow the same limiting shape. For this, algebraically motivated, ensemble
a CLT has been obtained in Ivanov and Olshanski [20] which is structurally similar
to our result but the variance is different, indicating that the analogy between
the two models has its limitations. Moreover, our theorem shows that Borodin's
result [7] on the convergence of the spectral distribution of Wigner matrices
to a Gaussian free field also holds in derivative sense.
article_processing_charge: No
arxiv: 1
author:
- first_name: László
full_name: Erdös, László
id: 4DBD5372-F248-11E8-B48F-1D18A9856A87
last_name: Erdös
orcid: 0000-0001-5366-9603
- first_name: Dominik J
full_name: Schröder, Dominik J
id: 408ED176-F248-11E8-B48F-1D18A9856A87
last_name: Schröder
orcid: 0000-0002-2904-1856
citation:
ama: Erdös L, Schröder DJ. Fluctuations of rectangular young diagrams of interlacing
wigner eigenvalues. International Mathematics Research Notices. 2018;2018(10):3255-3298.
doi:10.1093/imrn/rnw330
apa: Erdös, L., & Schröder, D. J. (2018). Fluctuations of rectangular young
diagrams of interlacing wigner eigenvalues. International Mathematics Research
Notices. Oxford University Press. https://doi.org/10.1093/imrn/rnw330
chicago: Erdös, László, and Dominik J Schröder. “Fluctuations of Rectangular Young
Diagrams of Interlacing Wigner Eigenvalues.” International Mathematics Research
Notices. Oxford University Press, 2018. https://doi.org/10.1093/imrn/rnw330.
ieee: L. Erdös and D. J. Schröder, “Fluctuations of rectangular young diagrams of
interlacing wigner eigenvalues,” International Mathematics Research Notices,
vol. 2018, no. 10. Oxford University Press, pp. 3255–3298, 2018.
ista: Erdös L, Schröder DJ. 2018. Fluctuations of rectangular young diagrams of
interlacing wigner eigenvalues. International Mathematics Research Notices. 2018(10),
3255–3298.
mla: Erdös, László, and Dominik J. Schröder. “Fluctuations of Rectangular Young
Diagrams of Interlacing Wigner Eigenvalues.” International Mathematics Research
Notices, vol. 2018, no. 10, Oxford University Press, 2018, pp. 3255–98, doi:10.1093/imrn/rnw330.
short: L. Erdös, D.J. Schröder, International Mathematics Research Notices 2018
(2018) 3255–3298.
date_created: 2018-12-11T11:49:41Z
date_published: 2018-05-18T00:00:00Z
date_updated: 2023-09-22T09:44:21Z
day: '18'
department:
- _id: LaEr
doi: 10.1093/imrn/rnw330
ec_funded: 1
external_id:
arxiv:
- '1608.05163'
isi:
- '000441668300009'
intvolume: ' 2018'
isi: 1
issue: '10'
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1608.05163
month: '05'
oa: 1
oa_version: Preprint
page: 3255-3298
project:
- _id: 258DCDE6-B435-11E9-9278-68D0E5697425
call_identifier: FP7
grant_number: '338804'
name: Random matrices, universality and disordered quantum systems
publication: International Mathematics Research Notices
publication_identifier:
issn:
- '10737928'
publication_status: published
publisher: Oxford University Press
publist_id: '6383'
quality_controlled: '1'
related_material:
record:
- id: '6179'
relation: dissertation_contains
status: public
scopus_import: '1'
status: public
title: Fluctuations of rectangular young diagrams of interlacing wigner eigenvalues
type: journal_article
user_id: c635000d-4b10-11ee-a964-aac5a93f6ac1
volume: 2018
year: '2018'
...
---
_id: '10286'
abstract:
- lang: eng
text: 'In this paper, we evaluate clock signals generated in ring oscillators and
self-timed rings and the way their jitter can be transformed into random numbers.
We show that counting the periods of the jittery clock signal produces random
numbers of significantly better quality than the methods in which the jittery
signal is simply sampled (the case in almost all current methods). Moreover, we
use the counter values to characterize and continuously monitor the source of
randomness. However, instead of using the widely used statistical variance, we
propose to use Allan variance to do so. There are two main advantages: Allan variance
is insensitive to low frequency noises such as flicker noise that are known to
be autocorrelated and significantly less circuitry is required for its computation
than that used to compute commonly used variance. We also show that it is essential
to use a differential principle of randomness extraction from the jitter based
on the use of two identical oscillators to avoid autocorrelations originating
from external and internal global jitter sources and that this fact is valid for
both kinds of rings. Last but not least, we propose a method of statistical testing
based on high order Markov model to show the reduced dependencies when the proposed
randomness extraction is applied.'
article_processing_charge: No
article_type: original
author:
- first_name: Elie Noumon
full_name: Allini, Elie Noumon
last_name: Allini
- first_name: Maciej
full_name: Skórski, Maciej
id: EC09FA6A-02D0-11E9-8223-86B7C91467DD
last_name: Skórski
- first_name: Oto
full_name: Petura, Oto
last_name: Petura
- first_name: Florent
full_name: Bernard, Florent
last_name: Bernard
- first_name: Marek
full_name: Laban, Marek
last_name: Laban
- first_name: Viktor
full_name: Fischer, Viktor
last_name: Fischer
citation:
ama: Allini EN, Skórski M, Petura O, Bernard F, Laban M, Fischer V. Evaluation and
monitoring of free running oscillators serving as source of randomness. IACR
Transactions on Cryptographic Hardware and Embedded Systems. 2018;2018(3):214-242.
doi:10.13154/tches.v2018.i3.214-242
apa: Allini, E. N., Skórski, M., Petura, O., Bernard, F., Laban, M., & Fischer,
V. (2018). Evaluation and monitoring of free running oscillators serving as source
of randomness. IACR Transactions on Cryptographic Hardware and Embedded Systems.
International Association for Cryptologic Research. https://doi.org/10.13154/tches.v2018.i3.214-242
chicago: Allini, Elie Noumon, Maciej Skórski, Oto Petura, Florent Bernard, Marek
Laban, and Viktor Fischer. “Evaluation and Monitoring of Free Running Oscillators
Serving as Source of Randomness.” IACR Transactions on Cryptographic Hardware
and Embedded Systems. International Association for Cryptologic Research,
2018. https://doi.org/10.13154/tches.v2018.i3.214-242.
ieee: E. N. Allini, M. Skórski, O. Petura, F. Bernard, M. Laban, and V. Fischer,
“Evaluation and monitoring of free running oscillators serving as source of randomness,”
IACR Transactions on Cryptographic Hardware and Embedded Systems, vol.
2018, no. 3. International Association for Cryptologic Research, pp. 214–242,
2018.
ista: Allini EN, Skórski M, Petura O, Bernard F, Laban M, Fischer V. 2018. Evaluation
and monitoring of free running oscillators serving as source of randomness. IACR
Transactions on Cryptographic Hardware and Embedded Systems. 2018(3), 214–242.
mla: Allini, Elie Noumon, et al. “Evaluation and Monitoring of Free Running Oscillators
Serving as Source of Randomness.” IACR Transactions on Cryptographic Hardware
and Embedded Systems, vol. 2018, no. 3, International Association for Cryptologic
Research, 2018, pp. 214–42, doi:10.13154/tches.v2018.i3.214-242.
short: E.N. Allini, M. Skórski, O. Petura, F. Bernard, M. Laban, V. Fischer, IACR
Transactions on Cryptographic Hardware and Embedded Systems 2018 (2018) 214–242.
date_created: 2021-11-14T23:01:25Z
date_published: 2018-01-01T00:00:00Z
date_updated: 2021-11-15T10:48:49Z
day: '01'
ddc:
- '000'
department:
- _id: KrPi
doi: 10.13154/tches.v2018.i3.214-242
file:
- access_level: open_access
checksum: b816b848f046c48a8357700d9305dce5
content_type: application/pdf
creator: cchlebak
date_created: 2021-11-15T10:27:29Z
date_updated: 2021-11-15T10:27:29Z
file_id: '10289'
file_name: 2018_IACR_Allini.pdf
file_size: 955755
relation: main_file
success: 1
file_date_updated: 2021-11-15T10:27:29Z
has_accepted_license: '1'
intvolume: ' 2018'
issue: '3'
language:
- iso: eng
month: '01'
oa: 1
oa_version: Published Version
page: 214-242
publication: IACR Transactions on Cryptographic Hardware and Embedded Systems
publication_identifier:
eissn:
- 2569-2925
publication_status: published
publisher: International Association for Cryptologic Research
quality_controlled: '1'
scopus_import: '1'
status: public
title: Evaluation and monitoring of free running oscillators serving as source of
randomness
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: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 2018
year: '2018'
...
---
_id: '10357'
abstract:
- lang: eng
text: The misfolding and aggregation of proteins into linear fibrils is widespread
in human biology, for example, in connection with amyloid formation and the pathology
of neurodegenerative disorders such as Alzheimer’s and Parkinson’s diseases. The
oligomeric species that are formed in the early stages of protein aggregation
are of great interest, having been linked with the cellular toxicity associated
with these conditions. However, these species are not characterized in any detail
experimentally, and their properties are not well understood. Many of these species
have been found to have approximately spherical morphology and to be held together
by hydrophobic interactions. We present here an analytical statistical mechanical
model of globular oligomer formation from simple idealized amphiphilic protein
monomers and show that this correlates well with Monte Carlo simulations of oligomer
formation. We identify the controlling parameters of the model, which are closely
related to simple quantities that may be fitted directly from experiment. We predict
that globular oligomers are unlikely to form at equilibrium in many polypeptide
systems but instead form transiently in the early stages of amyloid formation.
We contrast the globular model of oligomer formation to a well-established model
of linear oligomer formation, highlighting how the differing ensemble properties
of linear and globular oligomers offer a potential strategy for characterizing
oligomers from experimental measurements.
acknowledgement: We acknowledge support from the Schiff Foundation (A.J.D.), the Royal
Society (A.Š.), the Academy of Medical Sciences and Wellcome Trust (A.Š.), Peterhouse,
Cambridge (T.C.T.M.), the Swiss National Science foundation (T.C.T.M.), the Wellcome
Trust (T.P.J.K.), the Cambridge Centre for Misfolding Diseases (T.P.J.K.), the BBSRC
(T.P.J.K.), the Frances and Augustus Newman foundation (T.P.J.K.). The research
leading to these results has received funding from the European Research Council
under the European Union’s Seventh Framework Programme (Grant FP7/2007-2013) through
the ERC Grant PhysProt (Agreement No. 337969). We thank Daan Frenkel for several
useful discussions.
article_processing_charge: No
article_type: original
author:
- first_name: Alexander J.
full_name: Dear, Alexander J.
last_name: Dear
- first_name: Anđela
full_name: Šarić, Anđela
id: bf63d406-f056-11eb-b41d-f263a6566d8b
last_name: Šarić
orcid: 0000-0002-7854-2139
- first_name: Thomas C. T.
full_name: Michaels, Thomas C. T.
last_name: Michaels
- first_name: Christopher M.
full_name: Dobson, Christopher M.
last_name: Dobson
- first_name: Tuomas P. J.
full_name: Knowles, Tuomas P. J.
last_name: Knowles
citation:
ama: Dear AJ, Šarić A, Michaels TCT, Dobson CM, Knowles TPJ. Statistical mechanics
of globular oligomer formation by protein molecules. The Journal of Physical
Chemistry B. 2018;122(49):11721-11730. doi:10.1021/acs.jpcb.8b07805
apa: Dear, A. J., Šarić, A., Michaels, T. C. T., Dobson, C. M., & Knowles, T.
P. J. (2018). Statistical mechanics of globular oligomer formation by protein
molecules. The Journal of Physical Chemistry B. American Chemical Society.
https://doi.org/10.1021/acs.jpcb.8b07805
chicago: Dear, Alexander J., Anđela Šarić, Thomas C. T. Michaels, Christopher M.
Dobson, and Tuomas P. J. Knowles. “Statistical Mechanics of Globular Oligomer
Formation by Protein Molecules.” The Journal of Physical Chemistry B. American
Chemical Society, 2018. https://doi.org/10.1021/acs.jpcb.8b07805.
ieee: A. J. Dear, A. Šarić, T. C. T. Michaels, C. M. Dobson, and T. P. J. Knowles,
“Statistical mechanics of globular oligomer formation by protein molecules,” The
Journal of Physical Chemistry B, vol. 122, no. 49. American Chemical Society,
pp. 11721–11730, 2018.
ista: Dear AJ, Šarić A, Michaels TCT, Dobson CM, Knowles TPJ. 2018. Statistical
mechanics of globular oligomer formation by protein molecules. The Journal of
Physical Chemistry B. 122(49), 11721–11730.
mla: Dear, Alexander J., et al. “Statistical Mechanics of Globular Oligomer Formation
by Protein Molecules.” The Journal of Physical Chemistry B, vol. 122, no.
49, American Chemical Society, 2018, pp. 11721–30, doi:10.1021/acs.jpcb.8b07805.
short: A.J. Dear, A. Šarić, T.C.T. Michaels, C.M. Dobson, T.P.J. Knowles, The Journal
of Physical Chemistry B 122 (2018) 11721–11730.
date_created: 2021-11-26T11:55:12Z
date_published: 2018-10-18T00:00:00Z
date_updated: 2021-11-26T12:40:02Z
day: '18'
doi: 10.1021/acs.jpcb.8b07805
extern: '1'
external_id:
pmid:
- '30336667'
intvolume: ' 122'
issue: '49'
keyword:
- materials chemistry
language:
- iso: eng
month: '10'
oa_version: None
page: 11721-11730
pmid: 1
publication: The Journal of Physical Chemistry B
publication_identifier:
eissn:
- 1520-5207
issn:
- 1520-6106
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Statistical mechanics of globular oligomer formation by protein molecules
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 122
year: '2018'
...
---
_id: '10358'
abstract:
- lang: eng
text: Probing reaction mechanisms of supramolecular processes in soft and biological
matter, such as protein aggregation, is inherently challenging. This is because
these processes involve multiple molecular mechanisms that are associated with
the rearrangement of large numbers of weak bonds, resulting in complex free energy
landscapes with many kinetic barriers. Reaction rate measurements at different
temperatures can offer unprecedented insights into the underlying molecular mechanisms.
However, to be able to interpret such measurements, a key challenge is to establish
which properties of the complex free energy landscapes are probed by the reaction
rate. Here, we present a reaction rate theory for supramolecular kinetics based
on Kramers theory of diffusive reactions over multiple kinetic barriers. We find
that reaction rates for protein aggregation are of the Arrhenius–Eyring type and
that the associated activation energies probe only one relevant barrier along
the respective free energy landscapes. We apply this advancement to interpret,
in experiments and in coarse-grained computer simulations, reaction rates of amyloid
aggregation in terms of molecular mechanisms and associated thermodynamic signatures.
These results suggest a practical extension of the concept of rate-determining
steps for complex supramolecular processes and establish a general platform for
probing the underlying energy landscape using kinetic measurements.
acknowledgement: We thank Claudia Flandoli for the help with illustrations.
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Thomas C. T.
full_name: Michaels, Thomas C. T.
last_name: Michaels
- first_name: Lucie X.
full_name: Liu, Lucie X.
last_name: Liu
- first_name: Samo
full_name: Curk, Samo
last_name: Curk
- first_name: Peter G.
full_name: Bolhuis, Peter G.
last_name: Bolhuis
- first_name: Anđela
full_name: Šarić, Anđela
id: bf63d406-f056-11eb-b41d-f263a6566d8b
last_name: Šarić
orcid: 0000-0002-7854-2139
- first_name: Tuomas P. J.
full_name: Knowles, Tuomas P. J.
last_name: Knowles
citation:
ama: 'Michaels TCT, Liu LX, Curk S, Bolhuis PG, Šarić A, Knowles TPJ. Reaction rate
theory for supramolecular kinetics: application to protein aggregation. Molecular
Physics. 2018;116(21-22):3055-3065. doi:10.1080/00268976.2018.1474280'
apa: 'Michaels, T. C. T., Liu, L. X., Curk, S., Bolhuis, P. G., Šarić, A., &
Knowles, T. P. J. (2018). Reaction rate theory for supramolecular kinetics: application
to protein aggregation. Molecular Physics. Taylor & Francis. https://doi.org/10.1080/00268976.2018.1474280'
chicago: 'Michaels, Thomas C. T., Lucie X. Liu, Samo Curk, Peter G. Bolhuis, Anđela
Šarić, and Tuomas P. J. Knowles. “Reaction Rate Theory for Supramolecular Kinetics:
Application to Protein Aggregation.” Molecular Physics. Taylor & Francis,
2018. https://doi.org/10.1080/00268976.2018.1474280.'
ieee: 'T. C. T. Michaels, L. X. Liu, S. Curk, P. G. Bolhuis, A. Šarić, and T. P.
J. Knowles, “Reaction rate theory for supramolecular kinetics: application to
protein aggregation,” Molecular Physics, vol. 116, no. 21–22. Taylor &
Francis, pp. 3055–3065, 2018.'
ista: 'Michaels TCT, Liu LX, Curk S, Bolhuis PG, Šarić A, Knowles TPJ. 2018. Reaction
rate theory for supramolecular kinetics: application to protein aggregation. Molecular
Physics. 116(21–22), 3055–3065.'
mla: 'Michaels, Thomas C. T., et al. “Reaction Rate Theory for Supramolecular Kinetics:
Application to Protein Aggregation.” Molecular Physics, vol. 116, no. 21–22,
Taylor & Francis, 2018, pp. 3055–65, doi:10.1080/00268976.2018.1474280.'
short: T.C.T. Michaels, L.X. Liu, S. Curk, P.G. Bolhuis, A. Šarić, T.P.J. Knowles,
Molecular Physics 116 (2018) 3055–3065.
date_created: 2021-11-26T12:08:02Z
date_published: 2018-05-24T00:00:00Z
date_updated: 2021-11-26T12:39:58Z
day: '24'
doi: 10.1080/00268976.2018.1474280
extern: '1'
external_id:
arxiv:
- '1803.04851'
intvolume: ' 116'
issue: 21-22
keyword:
- physical chemistry
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1803.04851
month: '05'
oa: 1
oa_version: Preprint
page: 3055-3065
publication: Molecular Physics
publication_identifier:
eissn:
- 1362-3028
issn:
- 0026-8976
publication_status: published
publisher: Taylor & Francis
quality_controlled: '1'
scopus_import: '1'
status: public
title: 'Reaction rate theory for supramolecular kinetics: application to protein aggregation'
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 116
year: '2018'
...
---
_id: '10359'
abstract:
- lang: eng
text: Biological membranes typically contain a large number of different components
dispersed in small concentrations in the main membrane phase, including proteins,
sugars, and lipids of varying geometrical properties. Most of these components
do not bind the cargo. Here, we show that such “inert” components can be crucial
for the precise control of cross-membrane trafficking. Using a statistical mechanics
model and molecular dynamics simulations, we demonstrate that the presence of
inert membrane components of small isotropic curvatures dramatically influences
cargo endocytosis, even if the total spontaneous curvature of such a membrane
remains unchanged. Curved lipids, such as cholesterol, as well as asymmetrically
included proteins and tethered sugars can, therefore, actively participate in
the control of the membrane trafficking of nanoscopic cargo. We find that even
a low-level expression of curved inert membrane components can determine the membrane
selectivity toward the cargo size and can be used to selectively target membranes
of certain compositions. Our results suggest a robust and general method of controlling
cargo trafficking by adjusting the membrane composition without needing to alter
the concentration of receptors or the average membrane curvature. This study indicates
that cells can prepare for any trafficking event by incorporating curved inert
components in either of the membrane leaflets.
acknowledgement: We acknowledge discussions with Giuseppe Battaglia as well as support
from the Herchel Smith scholarship (T.C.), the CAS PIFI fellowship (T.C.), the UCL
Institute for the Physics of Living Systems (T.C. and A.Š.), the Austrian Academy
of Sciences through a DOC fellowship (P.W.), the European Union Horizon 2020 programme
under ETN grant no. 674979-NANOTRANS and FET grant no. 766972-NANOPHLOW (J.D. and
D.F.), the Engineering and Physical Sciences Research Council (D.F. and A.Š.), the
Academy of Medical Sciences and Wellcome Trust (A.Š.), and the Royal Society (A.Š.).
We thank Claudia Flandoli for help with Figure 1.
article_processing_charge: No
article_type: original
author:
- first_name: Tine
full_name: Curk, Tine
last_name: Curk
- first_name: Peter
full_name: Wirnsberger, Peter
last_name: Wirnsberger
- first_name: Jure
full_name: Dobnikar, Jure
last_name: Dobnikar
- first_name: Daan
full_name: Frenkel, Daan
last_name: Frenkel
- first_name: Anđela
full_name: Šarić, Anđela
id: bf63d406-f056-11eb-b41d-f263a6566d8b
last_name: Šarić
orcid: 0000-0002-7854-2139
citation:
ama: Curk T, Wirnsberger P, Dobnikar J, Frenkel D, Šarić A. Controlling cargo trafficking
in multicomponent membranes. Nano Letters. 2018;18(9):5350-5356. doi:10.1021/acs.nanolett.8b00786
apa: Curk, T., Wirnsberger, P., Dobnikar, J., Frenkel, D., & Šarić, A. (2018).
Controlling cargo trafficking in multicomponent membranes. Nano Letters.
American Chemical Society. https://doi.org/10.1021/acs.nanolett.8b00786
chicago: Curk, Tine, Peter Wirnsberger, Jure Dobnikar, Daan Frenkel, and Anđela
Šarić. “Controlling Cargo Trafficking in Multicomponent Membranes.” Nano Letters.
American Chemical Society, 2018. https://doi.org/10.1021/acs.nanolett.8b00786.
ieee: T. Curk, P. Wirnsberger, J. Dobnikar, D. Frenkel, and A. Šarić, “Controlling
cargo trafficking in multicomponent membranes,” Nano Letters, vol. 18,
no. 9. American Chemical Society, pp. 5350–5356, 2018.
ista: Curk T, Wirnsberger P, Dobnikar J, Frenkel D, Šarić A. 2018. Controlling cargo
trafficking in multicomponent membranes. Nano Letters. 18(9), 5350–5356.
mla: Curk, Tine, et al. “Controlling Cargo Trafficking in Multicomponent Membranes.”
Nano Letters, vol. 18, no. 9, American Chemical Society, 2018, pp. 5350–56,
doi:10.1021/acs.nanolett.8b00786.
short: T. Curk, P. Wirnsberger, J. Dobnikar, D. Frenkel, A. Šarić, Nano Letters
18 (2018) 5350–5356.
date_created: 2021-11-26T12:15:47Z
date_published: 2018-04-18T00:00:00Z
date_updated: 2021-11-26T15:14:08Z
day: '18'
doi: 10.1021/acs.nanolett.8b00786
extern: '1'
external_id:
pmid:
- '29667410'
intvolume: ' 18'
issue: '9'
keyword:
- mechanical engineering
- condensed matter physics
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://arxiv.org/abs/1712.10147
month: '04'
oa: 1
oa_version: Preprint
page: 5350-5356
pmid: 1
publication: Nano Letters
publication_identifier:
eissn:
- 1530-6992
issn:
- 1530-6984
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Controlling cargo trafficking in multicomponent membranes
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 18
year: '2018'
...
---
_id: '10360'
abstract:
- lang: eng
text: Mapping free-energy landscapes has proved to be a powerful tool for studying
reaction mechanisms. Many complex biomolecular assembly processes, however, have
remained challenging to access using this approach, including the aggregation
of peptides and proteins into amyloid fibrils implicated in a range of disorders.
Here, we generalize the strategy used to probe free-energy landscapes in protein
folding to determine the activation energies and entropies that characterize each
of the molecular steps in the aggregation of the amyloid-β peptide (Aβ42), which
is associated with Alzheimer’s disease. Our results reveal that interactions between
monomeric Aβ42 and amyloid fibrils during fibril-dependent secondary nucleation
fundamentally reverse the thermodynamic signature of this process relative to
primary nucleation, even though both processes generate aggregates from soluble
peptides. By mapping the energetic and entropic contributions along the reaction
trajectories, we show that the catalytic efficiency of Aβ42 fibril surfaces results
from the enthalpic stabilization of adsorbing peptides in conformations amenable
to nucleation, resulting in a dramatic lowering of the activation energy for nucleation.
acknowledgement: We thank B. Jönsson and I. André for helpful discussions. We acknowledge
financial support from the Schiff Foundation (S.I.A.C.), St John’s College, Cambridge
(S.I.A.C.), the Royal Physiographic Society (R.C.), the Research School FLÄK of
Lund University (S.L., R.C.), the Swedish Research Council (S.L.) and its Linneaus
Centre Organizing Molecular Matter (S.L.), the Crafoord Foundation (S.L.), Alzheimerfonden
(S.L.), the European Research Council (S.L.), NanoLund (S.L.), Knut and Alice Wallenberg
Foundation (S.L.), Peterhouse, Cambridge (T.C.T.M.), the Swiss National Science
Foundation (T.C.T.M.), Magdalene College, Cambridge (A.K.B.), the Leverhulme Trust
(A.K.B.), the Royal Society (A.Š.), the Academy of Medical Sciences (A.Š.), the
Wellcome Trust (C.M.D., T.P.J.K., A.Š.), and the Centre for Misfolding Diseases
(C.M.D., T.P.J.K, M.V.). A.K.B. thanks the Alzheimer Forschung Initiative (AFI).
article_processing_charge: No
article_type: original
author:
- first_name: Samuel I. A.
full_name: Cohen, Samuel I. A.
last_name: Cohen
- first_name: Risto
full_name: Cukalevski, Risto
last_name: Cukalevski
- first_name: Thomas C. T.
full_name: Michaels, Thomas C. T.
last_name: Michaels
- first_name: Anđela
full_name: Šarić, Anđela
id: bf63d406-f056-11eb-b41d-f263a6566d8b
last_name: Šarić
orcid: 0000-0002-7854-2139
- first_name: Mattias
full_name: Törnquist, Mattias
last_name: Törnquist
- first_name: Michele
full_name: Vendruscolo, Michele
last_name: Vendruscolo
- first_name: Christopher M.
full_name: Dobson, Christopher M.
last_name: Dobson
- first_name: Alexander K.
full_name: Buell, Alexander K.
last_name: Buell
- first_name: Tuomas P. J.
full_name: Knowles, Tuomas P. J.
last_name: Knowles
- first_name: Sara
full_name: Linse, Sara
last_name: Linse
citation:
ama: Cohen SIA, Cukalevski R, Michaels TCT, et al. Distinct thermodynamic signatures
of oligomer generation in the aggregation of the amyloid-β peptide. Nature
Chemistry. 2018;10(5):523-531. doi:10.1038/s41557-018-0023-x
apa: Cohen, S. I. A., Cukalevski, R., Michaels, T. C. T., Šarić, A., Törnquist,
M., Vendruscolo, M., … Linse, S. (2018). Distinct thermodynamic signatures of
oligomer generation in the aggregation of the amyloid-β peptide. Nature Chemistry.
Springer Nature. https://doi.org/10.1038/s41557-018-0023-x
chicago: Cohen, Samuel I. A., Risto Cukalevski, Thomas C. T. Michaels, Anđela Šarić,
Mattias Törnquist, Michele Vendruscolo, Christopher M. Dobson, Alexander K. Buell,
Tuomas P. J. Knowles, and Sara Linse. “Distinct Thermodynamic Signatures of Oligomer
Generation in the Aggregation of the Amyloid-β Peptide.” Nature Chemistry.
Springer Nature, 2018. https://doi.org/10.1038/s41557-018-0023-x.
ieee: S. I. A. Cohen et al., “Distinct thermodynamic signatures of oligomer
generation in the aggregation of the amyloid-β peptide,” Nature Chemistry,
vol. 10, no. 5. Springer Nature, pp. 523–531, 2018.
ista: Cohen SIA, Cukalevski R, Michaels TCT, Šarić A, Törnquist M, Vendruscolo M,
Dobson CM, Buell AK, Knowles TPJ, Linse S. 2018. Distinct thermodynamic signatures
of oligomer generation in the aggregation of the amyloid-β peptide. Nature Chemistry.
10(5), 523–531.
mla: Cohen, Samuel I. A., et al. “Distinct Thermodynamic Signatures of Oligomer
Generation in the Aggregation of the Amyloid-β Peptide.” Nature Chemistry,
vol. 10, no. 5, Springer Nature, 2018, pp. 523–31, doi:10.1038/s41557-018-0023-x.
short: S.I.A. Cohen, R. Cukalevski, T.C.T. Michaels, A. Šarić, M. Törnquist, M.
Vendruscolo, C.M. Dobson, A.K. Buell, T.P.J. Knowles, S. Linse, Nature Chemistry
10 (2018) 523–531.
date_created: 2021-11-26T12:41:38Z
date_published: 2018-03-26T00:00:00Z
date_updated: 2021-11-26T15:14:00Z
day: '26'
doi: 10.1038/s41557-018-0023-x
extern: '1'
external_id:
pmid:
- '29581486'
intvolume: ' 10'
issue: '5'
keyword:
- general chemical engineering
- general chemistry
language:
- iso: eng
month: '03'
oa_version: None
page: 523-531
pmid: 1
publication: Nature Chemistry
publication_identifier:
eissn:
- 1755-4349
issn:
- 1755-4330
publication_status: published
publisher: Springer Nature
quality_controlled: '1'
scopus_import: '1'
status: public
title: Distinct thermodynamic signatures of oligomer generation in the aggregation
of the amyloid-β peptide
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 10
year: '2018'
...
---
_id: '10361'
abstract:
- lang: eng
text: Understanding how normally soluble peptides and proteins aggregate to form
amyloid fibrils is central to many areas of modern biomolecular science, ranging
from the development of functional biomaterials to the design of rational therapeutic
strategies against increasingly prevalent medical conditions such as Alzheimer's
and Parkinson's diseases. As such, there is a great need to develop models to
mechanistically describe how amyloid fibrils are formed from precursor peptides
and proteins. Here we review and discuss how ideas and concepts from chemical
reaction kinetics can help to achieve this objective. In particular, we show how
a combination of theory, experiments, and computer simulations, based on chemical
kinetics, provides a general formalism for uncovering, at the molecular level,
the mechanistic steps that underlie the phenomenon of amyloid fibril formation.
acknowledgement: "We acknowledge support from the Swiss National Science Foundation
(T.C.T.M.); Peterhouse,\r\nCambridge (T.C.T.M.); the Royal Society (A.S.); the Academy
of Medical Sciences (A.S.); the\r\nWellcome Trust (A.S., M.V., C.M.D., T.P.J.K.);
the Cambridge Centre for Misfolding Diseases\r\n(M.V., C.M.D., T.P.J.K.); the Biotechnology
and Biological Sciences Research Council (C.M.D.,\r\nT.P.J.K.); and the Frances
and Augustus Newman Foundation (T.P.J.K.). The research leading\r\nto these results
has received funding from the European Research Council (ERC) under the\r\nEuropean
Union’s Seventh Framework Programme (FP7/2007-2013) through the ERC grant\r\nPhysProt
(337969)."
article_processing_charge: No
article_type: original
author:
- first_name: Thomas C.T.
full_name: Michaels, Thomas C.T.
last_name: Michaels
- first_name: Anđela
full_name: Šarić, Anđela
id: bf63d406-f056-11eb-b41d-f263a6566d8b
last_name: Šarić
orcid: 0000-0002-7854-2139
- first_name: Johnny
full_name: Habchi, Johnny
last_name: Habchi
- first_name: Sean
full_name: Chia, Sean
last_name: Chia
- first_name: Georg
full_name: Meisl, Georg
last_name: Meisl
- first_name: Michele
full_name: Vendruscolo, Michele
last_name: Vendruscolo
- first_name: Christopher M.
full_name: Dobson, Christopher M.
last_name: Dobson
- first_name: Tuomas P.J.
full_name: Knowles, Tuomas P.J.
last_name: Knowles
citation:
ama: Michaels TCT, Šarić A, Habchi J, et al. Chemical kinetics for bridging molecular
mechanisms and macroscopic measurements of amyloid fibril formation. Annual
Review of Physical Chemistry. 2018;69(1):273-298. doi:10.1146/annurev-physchem-050317-021322
apa: Michaels, T. C. T., Šarić, A., Habchi, J., Chia, S., Meisl, G., Vendruscolo,
M., … Knowles, T. P. J. (2018). Chemical kinetics for bridging molecular mechanisms
and macroscopic measurements of amyloid fibril formation. Annual Review of
Physical Chemistry. Annual Reviews. https://doi.org/10.1146/annurev-physchem-050317-021322
chicago: Michaels, Thomas C.T., Anđela Šarić, Johnny Habchi, Sean Chia, Georg Meisl,
Michele Vendruscolo, Christopher M. Dobson, and Tuomas P.J. Knowles. “Chemical
Kinetics for Bridging Molecular Mechanisms and Macroscopic Measurements of Amyloid
Fibril Formation.” Annual Review of Physical Chemistry. Annual Reviews,
2018. https://doi.org/10.1146/annurev-physchem-050317-021322.
ieee: T. C. T. Michaels et al., “Chemical kinetics for bridging molecular
mechanisms and macroscopic measurements of amyloid fibril formation,” Annual
Review of Physical Chemistry, vol. 69, no. 1. Annual Reviews, pp. 273–298,
2018.
ista: Michaels TCT, Šarić A, Habchi J, Chia S, Meisl G, Vendruscolo M, Dobson CM,
Knowles TPJ. 2018. Chemical kinetics for bridging molecular mechanisms and macroscopic
measurements of amyloid fibril formation. Annual Review of Physical Chemistry.
69(1), 273–298.
mla: Michaels, Thomas C. T., et al. “Chemical Kinetics for Bridging Molecular Mechanisms
and Macroscopic Measurements of Amyloid Fibril Formation.” Annual Review of
Physical Chemistry, vol. 69, no. 1, Annual Reviews, 2018, pp. 273–98, doi:10.1146/annurev-physchem-050317-021322.
short: T.C.T. Michaels, A. Šarić, J. Habchi, S. Chia, G. Meisl, M. Vendruscolo,
C.M. Dobson, T.P.J. Knowles, Annual Review of Physical Chemistry 69 (2018) 273–298.
date_created: 2021-11-26T12:52:12Z
date_published: 2018-02-28T00:00:00Z
date_updated: 2021-11-26T15:58:19Z
day: '28'
doi: 10.1146/annurev-physchem-050317-021322
extern: '1'
external_id:
pmid:
- '29490200'
intvolume: ' 69'
issue: '1'
keyword:
- physical and theoretical chemistry
language:
- iso: eng
month: '02'
oa_version: None
page: 273-298
pmid: 1
publication: Annual Review of Physical Chemistry
publication_identifier:
eissn:
- 1545-1593
issn:
- 0066-426X
publication_status: published
publisher: Annual Reviews
quality_controlled: '1'
scopus_import: '1'
status: public
title: Chemical kinetics for bridging molecular mechanisms and macroscopic measurements
of amyloid fibril formation
type: journal_article
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
volume: 69
year: '2018'
...