---
_id: '12878'
abstract:
- lang: eng
  text: Salicylic acid (SA) plays important roles in different aspects of plant development,
    including root growth, where auxin is also a major player by means of its asymmetric
    distribution. However, the mechanism underlying the effect of SA on the development
    of rice roots remains poorly understood. Here, we show that SA inhibits rice root
    growth by interfering with auxin transport associated with the OsPIN3t- and clathrin-mediated
    gene regulatory network (GRN). SA inhibits root growth as well as Brefeldin A-sensitive
    trafficking through a non-canonical SA signaling mechanism. Transcriptome analysis
    of rice seedlings treated with SA revealed that the OsPIN3t auxin transporter
    is at the center of a GRN involving the coat protein clathrin. The root growth
    and endocytic trafficking in both the pin3t and clathrin heavy chain mutants were
    SA insensitivity. SA inhibitory effect on the endocytosis of OsPIN3t was dependent
    on clathrin; however, the root growth and endocytic trafficking mediated by tyrphostin
    A23 (TyrA23) were independent of the pin3t mutant under SA treatment. These data
    reveal that SA affects rice root growth through the convergence of transcriptional
    and non-SA signaling mechanisms involving OsPIN3t-mediated auxin transport and
    clathrin-mediated trafficking as key components.
acknowledgement: The authors thank Professor Jianqiang Wu (Kunming Institute of Botany,
  Chinese Academy of Sciences) for support with phytohormone measurement. Thanks also
  go to Professor Pieter. B. F. Ouwerkerk (Leiden University) and Professor Jean-Benoit
  Morel (Plant Health Institute of Montpellier) for provision of the rice lines NB-7B-70
  and NB-7B-76 and wild-type NB-61-WT, Professor Zuhua He (Chinese Academy of Sciences)
  for provision of the rice OsNPR1-RNAi mutant, and Professor Yinong Yang (The Pennsylvania
  State University) for provision of the rice line NahG. This work was supported by
  grants from the National Natural Science Foundation of China (Grant Nos. 32260085,
  31460453, 31660501, 31860064, 31970609, 31801792 and 31960554), the Key Projects
  of the Applied Basic Research Plan of Yunnan Province (202301AS070082), the Major
  Special Program for Scientific Research, Education Department of Yunnan Province
  (Grant No. ZD2015005), the Start-up fund from Xishuangbanna Tropical Botanical Garden,
  and ‘Top Talents Program in Science and Technology’ from Yunnan Province, the SRF
  for ROCS, SEM (Grant No. [2013] 1792), and the Major Science and Technology Project
  in Yunnan Province (202102AE090042 and 202202AE090036); and the young and middle-aged
  academic and technical leaders reserve talent program in Yunnan Province (202205AC160076).
article_processing_charge: No
article_type: original
author:
- first_name: Lihui
  full_name: Jiang, Lihui
  last_name: Jiang
- first_name: Baolin
  full_name: Yao, Baolin
  last_name: Yao
- first_name: Xiaoyan
  full_name: Zhang, Xiaoyan
  last_name: Zhang
- first_name: Lixia
  full_name: Wu, Lixia
  last_name: Wu
- first_name: Qijing
  full_name: Fu, Qijing
  last_name: Fu
- first_name: Yiting
  full_name: Zhao, Yiting
  last_name: Zhao
- first_name: Yuxin
  full_name: Cao, Yuxin
  last_name: Cao
- first_name: Ruomeng
  full_name: Zhu, Ruomeng
  last_name: Zhu
- first_name: Xinqi
  full_name: Lu, Xinqi
  last_name: Lu
- first_name: Wuying
  full_name: Huang, Wuying
  last_name: Huang
- first_name: Jianping
  full_name: Zhao, Jianping
  last_name: Zhao
- first_name: Kuixiu
  full_name: Li, Kuixiu
  last_name: Li
- first_name: Shuanglu
  full_name: Zhao, Shuanglu
  last_name: Zhao
- first_name: Li
  full_name: Han, Li
  last_name: Han
- first_name: Xuan
  full_name: Zhou, Xuan
  last_name: Zhou
- first_name: Chongyu
  full_name: Luo, Chongyu
  last_name: Luo
- first_name: Haiyan
  full_name: Zhu, Haiyan
  last_name: Zhu
- first_name: Jing
  full_name: Yang, Jing
  last_name: Yang
- first_name: Huichuan
  full_name: Huang, Huichuan
  last_name: Huang
- first_name: Zhengge
  full_name: Zhu, Zhengge
  last_name: Zhu
- first_name: Xiahong
  full_name: He, Xiahong
  last_name: He
- first_name: Jiří
  full_name: Friml, Jiří
  id: 4159519E-F248-11E8-B48F-1D18A9856A87
  last_name: Friml
  orcid: 0000-0002-8302-7596
- first_name: Zhongkai
  full_name: Zhang, Zhongkai
  last_name: Zhang
- first_name: Changning
  full_name: Liu, Changning
  last_name: Liu
- first_name: Yunlong
  full_name: Du, Yunlong
  last_name: Du
citation:
  ama: Jiang L, Yao B, Zhang X, et al. Salicylic acid inhibits rice endocytic protein
    trafficking mediated by OsPIN3t and clathrin to affect root growth. <i>Plant Journal</i>.
    2023;115(1):155-174. doi:<a href="https://doi.org/10.1111/tpj.16218">10.1111/tpj.16218</a>
  apa: Jiang, L., Yao, B., Zhang, X., Wu, L., Fu, Q., Zhao, Y., … Du, Y. (2023). Salicylic
    acid inhibits rice endocytic protein trafficking mediated by OsPIN3t and clathrin
    to affect root growth. <i>Plant Journal</i>. Wiley. <a href="https://doi.org/10.1111/tpj.16218">https://doi.org/10.1111/tpj.16218</a>
  chicago: Jiang, Lihui, Baolin Yao, Xiaoyan Zhang, Lixia Wu, Qijing Fu, Yiting Zhao,
    Yuxin Cao, et al. “Salicylic Acid Inhibits Rice Endocytic Protein Trafficking
    Mediated by OsPIN3t and Clathrin to Affect Root Growth.” <i>Plant Journal</i>.
    Wiley, 2023. <a href="https://doi.org/10.1111/tpj.16218">https://doi.org/10.1111/tpj.16218</a>.
  ieee: L. Jiang <i>et al.</i>, “Salicylic acid inhibits rice endocytic protein trafficking
    mediated by OsPIN3t and clathrin to affect root growth,” <i>Plant Journal</i>,
    vol. 115, no. 1. Wiley, pp. 155–174, 2023.
  ista: Jiang L, Yao B, Zhang X, Wu L, Fu Q, Zhao Y, Cao Y, Zhu R, Lu X, Huang W,
    Zhao J, Li K, Zhao S, Han L, Zhou X, Luo C, Zhu H, Yang J, Huang H, Zhu Z, He
    X, Friml J, Zhang Z, Liu C, Du Y. 2023. Salicylic acid inhibits rice endocytic
    protein trafficking mediated by OsPIN3t and clathrin to affect root growth. Plant
    Journal. 115(1), 155–174.
  mla: Jiang, Lihui, et al. “Salicylic Acid Inhibits Rice Endocytic Protein Trafficking
    Mediated by OsPIN3t and Clathrin to Affect Root Growth.” <i>Plant Journal</i>,
    vol. 115, no. 1, Wiley, 2023, pp. 155–74, doi:<a href="https://doi.org/10.1111/tpj.16218">10.1111/tpj.16218</a>.
  short: L. Jiang, B. Yao, X. Zhang, L. Wu, Q. Fu, Y. Zhao, Y. Cao, R. Zhu, X. Lu,
    W. Huang, J. Zhao, K. Li, S. Zhao, L. Han, X. Zhou, C. Luo, H. Zhu, J. Yang, H.
    Huang, Z. Zhu, X. He, J. Friml, Z. Zhang, C. Liu, Y. Du, Plant Journal 115 (2023)
    155–174.
date_created: 2023-04-30T22:01:06Z
date_published: 2023-07-01T00:00:00Z
date_updated: 2023-08-01T14:16:33Z
day: '01'
department:
- _id: JiFr
doi: 10.1111/tpj.16218
external_id:
  isi:
  - '000971861400001'
  pmid:
  - '37025008 '
intvolume: '       115'
isi: 1
issue: '1'
language:
- iso: eng
month: '07'
oa_version: None
page: 155-174
pmid: 1
publication: Plant Journal
publication_identifier:
  eissn:
  - 1365-313X
  issn:
  - 0960-7412
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: Salicylic acid inhibits rice endocytic protein trafficking mediated by OsPIN3t
  and clathrin to affect root growth
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 115
year: '2023'
...
---
_id: '12879'
abstract:
- lang: eng
  text: Machine learning (ML) has been widely applied to chemical property prediction,
    most prominently for the energies and forces in molecules and materials. The strong
    interest in predicting energies in particular has led to a ‘local energy’-based
    paradigm for modern atomistic ML models, which ensures size-extensivity and a
    linear scaling of computational cost with system size. However, many electronic
    properties (such as excitation energies or ionization energies) do not necessarily
    scale linearly with system size and may even be spatially localized. Using size-extensive
    models in these cases can lead to large errors. In this work, we explore different
    strategies for learning intensive and localized properties, using HOMO energies
    in organic molecules as a representative test case. In particular, we analyze
    the pooling functions that atomistic neural networks use to predict molecular
    properties, and suggest an orbital weighted average (OWA) approach that enables
    the accurate prediction of orbital energies and locations.
acknowledgement: KC acknowledges funding from the China Scholarship Council. KC is
  grateful for the TUM graduate school finance support to visit Bingqing Cheng's group
  in IST for two months. We also thankfully acknowledge computational resources provided
  by the MPCDF Supercomputing Centre.
article_processing_charge: No
article_type: original
author:
- first_name: Ke
  full_name: Chen, Ke
  id: c636c5ca-e8b8-11ed-b2d4-cc2c37613a8d
  last_name: Chen
- first_name: Christian
  full_name: Kunkel, Christian
  last_name: Kunkel
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
- first_name: Karsten
  full_name: Reuter, Karsten
  last_name: Reuter
- first_name: Johannes T.
  full_name: Margraf, Johannes T.
  last_name: Margraf
citation:
  ama: Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. Physics-inspired machine learning
    of localized intensive properties. <i>Chemical Science</i>. 2023. doi:<a href="https://doi.org/10.1039/d3sc00841j">10.1039/d3sc00841j</a>
  apa: Chen, K., Kunkel, C., Cheng, B., Reuter, K., &#38; Margraf, J. T. (2023). Physics-inspired
    machine learning of localized intensive properties. <i>Chemical Science</i>. Royal
    Society of Chemistry. <a href="https://doi.org/10.1039/d3sc00841j">https://doi.org/10.1039/d3sc00841j</a>
  chicago: Chen, Ke, Christian Kunkel, Bingqing Cheng, Karsten Reuter, and Johannes
    T. Margraf. “Physics-Inspired Machine Learning of Localized Intensive Properties.”
    <i>Chemical Science</i>. Royal Society of Chemistry, 2023. <a href="https://doi.org/10.1039/d3sc00841j">https://doi.org/10.1039/d3sc00841j</a>.
  ieee: K. Chen, C. Kunkel, B. Cheng, K. Reuter, and J. T. Margraf, “Physics-inspired
    machine learning of localized intensive properties,” <i>Chemical Science</i>.
    Royal Society of Chemistry, 2023.
  ista: Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. 2023. Physics-inspired machine
    learning of localized intensive properties. Chemical Science.
  mla: Chen, Ke, et al. “Physics-Inspired Machine Learning of Localized Intensive
    Properties.” <i>Chemical Science</i>, Royal Society of Chemistry, 2023, doi:<a
    href="https://doi.org/10.1039/d3sc00841j">10.1039/d3sc00841j</a>.
  short: K. Chen, C. Kunkel, B. Cheng, K. Reuter, J.T. Margraf, Chemical Science (2023).
date_created: 2023-04-30T22:01:06Z
date_published: 2023-04-10T00:00:00Z
date_updated: 2023-08-01T14:18:10Z
day: '10'
ddc:
- '000'
- '540'
department:
- _id: BiCh
doi: 10.1039/d3sc00841j
external_id:
  isi:
  - '000971508100001'
file:
- access_level: open_access
  checksum: 5eeec69a51e192dcd94b955d84423836
  content_type: application/pdf
  creator: dernst
  date_created: 2023-05-02T07:17:05Z
  date_updated: 2023-05-02T07:17:05Z
  file_id: '12883'
  file_name: 2023_ChemialScience_Chen.pdf
  file_size: 1515446
  relation: main_file
  success: 1
file_date_updated: 2023-05-02T07:17:05Z
has_accepted_license: '1'
isi: 1
language:
- iso: eng
license: https://creativecommons.org/licenses/by/3.0/
month: '04'
oa: 1
oa_version: Published Version
publication: Chemical Science
publication_identifier:
  eissn:
  - 2041-6539
  issn:
  - 2041-6520
publication_status: published
publisher: Royal Society of Chemistry
quality_controlled: '1'
scopus_import: '1'
status: public
title: Physics-inspired machine learning of localized intensive properties
tmp:
  image: /images/cc_by.png
  legal_code_url: https://creativecommons.org/licenses/by/3.0/legalcode
  name: Creative Commons Attribution 3.0 Unported (CC BY 3.0)
  short: CC BY (3.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
year: '2023'
...
---
_id: '12880'
abstract:
- lang: eng
  text: Peripheral heterochromatin positioning depends on nuclear envelope associated
    proteins and repressive histone modifications. Here we show that overexpression
    (OE) of Lamin B1 (LmnB1) leads to the redistribution of peripheral heterochromatin
    into heterochromatic foci within the nucleoplasm. These changes represent a perturbation
    of heterochromatin binding at the nuclear periphery (NP) through a mechanism independent
    from altering other heterochromatin anchors or histone post-translational modifications.
    We further show that LmnB1 OE alters gene expression. These changes do not correlate
    with different levels of H3K9me3, but a significant number of the misregulated
    genes were likely mislocalized away from the NP upon LmnB1 OE. We also observed
    an enrichment of developmental processes amongst the upregulated genes. ~74% of
    these genes were normally repressed in our cell type, suggesting that LmnB1 OE
    promotes gene de-repression. This demonstrates a broader consequence of LmnB1
    OE on cell fate, and highlights the importance of maintaining proper levels of
    LmnB1.
acknowledgement: 'We thank members of the Hetzer lab for critical review of the manuscript;
  Novogene for mRNA library preparation and sequencing; the Next-Generation Sequencing
  Core Facility at the Salk Institute, with funding from NIH-NCI CCSG: P30 014195,
  the Chapman Foundation, and the Helmsley Charitable Trust, for sequencing Cut&Run
  libraries; and the Waitt Advanced Biophotonics Core Facility at the Salk Institute,
  with funding from NIH-NCI CCSG: P30 014195, the Waitt Foundation, and the Chan-Zuckerberg
  Initiative Imaging Scientist Award, for electron microscopy sample preparation and
  imaging.'
article_number: '2202548'
article_processing_charge: No
article_type: original
author:
- first_name: Jeanae M.
  full_name: Kaneshiro, Jeanae M.
  last_name: Kaneshiro
- first_name: Juliana S.
  full_name: Capitanio, Juliana S.
  last_name: Capitanio
- first_name: Martin W
  full_name: Hetzer, Martin W
  id: 86c0d31b-b4eb-11ec-ac5a-eae7b2e135ed
  last_name: Hetzer
  orcid: 0000-0002-2111-992X
citation:
  ama: Kaneshiro JM, Capitanio JS, Hetzer M. Lamin B1 overexpression alters chromatin
    organization and gene expression. <i>Nucleus</i>. 2023;14(1). doi:<a href="https://doi.org/10.1080/19491034.2023.2202548">10.1080/19491034.2023.2202548</a>
  apa: Kaneshiro, J. M., Capitanio, J. S., &#38; Hetzer, M. (2023). Lamin B1 overexpression
    alters chromatin organization and gene expression. <i>Nucleus</i>. Taylor &#38;
    Francis. <a href="https://doi.org/10.1080/19491034.2023.2202548">https://doi.org/10.1080/19491034.2023.2202548</a>
  chicago: Kaneshiro, Jeanae M., Juliana S. Capitanio, and Martin Hetzer. “Lamin B1
    Overexpression Alters Chromatin Organization and Gene Expression.” <i>Nucleus</i>.
    Taylor &#38; Francis, 2023. <a href="https://doi.org/10.1080/19491034.2023.2202548">https://doi.org/10.1080/19491034.2023.2202548</a>.
  ieee: J. M. Kaneshiro, J. S. Capitanio, and M. Hetzer, “Lamin B1 overexpression
    alters chromatin organization and gene expression,” <i>Nucleus</i>, vol. 14, no.
    1. Taylor &#38; Francis, 2023.
  ista: Kaneshiro JM, Capitanio JS, Hetzer M. 2023. Lamin B1 overexpression alters
    chromatin organization and gene expression. Nucleus. 14(1), 2202548.
  mla: Kaneshiro, Jeanae M., et al. “Lamin B1 Overexpression Alters Chromatin Organization
    and Gene Expression.” <i>Nucleus</i>, vol. 14, no. 1, 2202548, Taylor &#38; Francis,
    2023, doi:<a href="https://doi.org/10.1080/19491034.2023.2202548">10.1080/19491034.2023.2202548</a>.
  short: J.M. Kaneshiro, J.S. Capitanio, M. Hetzer, Nucleus 14 (2023).
date_created: 2023-04-30T22:01:06Z
date_published: 2023-04-18T00:00:00Z
date_updated: 2023-08-01T14:18:46Z
day: '18'
ddc:
- '570'
department:
- _id: MaHe
doi: 10.1080/19491034.2023.2202548
external_id:
  isi:
  - '000971629400001'
  pmid:
  - '37071033'
file:
- access_level: open_access
  checksum: 8e707eda84f64dbad7f03545ae0a83ef
  content_type: application/pdf
  creator: dernst
  date_created: 2023-05-02T07:24:55Z
  date_updated: 2023-05-02T07:24:55Z
  file_id: '12884'
  file_name: 2023_Nucleus_Kaneshiro.pdf
  file_size: 3811113
  relation: main_file
  success: 1
file_date_updated: 2023-05-02T07:24:55Z
has_accepted_license: '1'
intvolume: '        14'
isi: 1
issue: '1'
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nc/4.0/
month: '04'
oa: 1
oa_version: Published Version
pmid: 1
publication: Nucleus
publication_identifier:
  eissn:
  - 1949-1042
  issn:
  - 1949-1034
publication_status: published
publisher: Taylor & Francis
quality_controlled: '1'
scopus_import: '1'
status: public
title: Lamin B1 overexpression alters chromatin organization and gene expression
tmp:
  image: /images/cc_by_nc.png
  legal_code_url: https://creativecommons.org/licenses/by-nc/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)
  short: CC BY-NC (4.0)
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 14
year: '2023'
...
---
_id: '12885'
abstract:
- lang: eng
  text: 'High-performance semiconductors rely upon precise control of heat and charge
    transport. This can be achieved by precisely engineering defects in polycrystalline
    solids. There are multiple approaches to preparing such polycrystalline semiconductors,
    and the transformation of solution-processed colloidal nanoparticles is appealing
    because colloidal nanoparticles combine low cost with structural and compositional
    tunability along with rich surface chemistry. However, the multiple processes
    from nanoparticle synthesis to the final bulk nanocomposites are very complex.
    They involve nanoparticle purification, post-synthetic modifications, and finally
    consolidation (thermal treatments and densification). All these properties dictate
    the final material’s composition and microstructure, ultimately affecting its
    functional properties. This thesis explores the synthesis, surface chemistry and
    consolidation of colloidal semiconductor nanoparticles into dense solids. In particular,
    the transformations that take place during these processes, and their effect on
    the material’s transport properties are evaluated. '
acknowledged_ssus:
- _id: EM-Fac
- _id: NanoFab
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Mariano
  full_name: Calcabrini, Mariano
  id: 45D7531A-F248-11E8-B48F-1D18A9856A87
  last_name: Calcabrini
  orcid: 0000-0003-4566-5877
citation:
  ama: 'Calcabrini M. Nanoparticle-based semiconductor solids: From synthesis to consolidation.
    2023. doi:<a href="https://doi.org/10.15479/at:ista:12885">10.15479/at:ista:12885</a>'
  apa: 'Calcabrini, M. (2023). <i>Nanoparticle-based semiconductor solids: From synthesis
    to consolidation</i>. Institute of Science and Technology Austria. <a href="https://doi.org/10.15479/at:ista:12885">https://doi.org/10.15479/at:ista:12885</a>'
  chicago: 'Calcabrini, Mariano. “Nanoparticle-Based Semiconductor Solids: From Synthesis
    to Consolidation.” Institute of Science and Technology Austria, 2023. <a href="https://doi.org/10.15479/at:ista:12885">https://doi.org/10.15479/at:ista:12885</a>.'
  ieee: 'M. Calcabrini, “Nanoparticle-based semiconductor solids: From synthesis to
    consolidation,” Institute of Science and Technology Austria, 2023.'
  ista: 'Calcabrini M. 2023. Nanoparticle-based semiconductor solids: From synthesis
    to consolidation. Institute of Science and Technology Austria.'
  mla: 'Calcabrini, Mariano. <i>Nanoparticle-Based Semiconductor Solids: From Synthesis
    to Consolidation</i>. Institute of Science and Technology Austria, 2023, doi:<a
    href="https://doi.org/10.15479/at:ista:12885">10.15479/at:ista:12885</a>.'
  short: 'M. Calcabrini, Nanoparticle-Based Semiconductor Solids: From Synthesis to
    Consolidation, Institute of Science and Technology Austria, 2023.'
date_created: 2023-05-02T07:58:57Z
date_published: 2023-04-28T00:00:00Z
date_updated: 2023-08-14T07:25:26Z
day: '28'
ddc:
- '546'
- '541'
degree_awarded: PhD
department:
- _id: GradSch
- _id: MaIb
doi: 10.15479/at:ista:12885
ec_funded: 1
file:
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  checksum: 9347b0e09425f56fdcede5d3528404dc
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  creator: mcalcabr
  date_created: 2023-05-02T07:43:18Z
  date_updated: 2023-05-02T07:43:18Z
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  creator: mcalcabr
  date_created: 2023-05-02T07:42:45Z
  date_updated: 2023-05-02T07:42:45Z
  file_id: '12888'
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file_date_updated: 2023-05-02T07:43:18Z
has_accepted_license: '1'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
page: '82'
project:
- _id: 2564DBCA-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '665385'
  name: International IST Doctoral Program
publication_identifier:
  isbn:
  - 978-3-99078-028-2
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '10806'
    relation: part_of_dissertation
    status: public
  - id: '10042'
    relation: part_of_dissertation
    status: public
  - id: '12237'
    relation: part_of_dissertation
    status: public
  - id: '9118'
    relation: part_of_dissertation
    status: public
  - id: '10123'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
title: 'Nanoparticle-based semiconductor solids: From synthesis to consolidation'
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2023'
...
---
_id: '12890'
abstract:
- lang: eng
  text: We introduce a stochastic cellular automaton as a model for culture and border
    formation. The model can be conceptualized as a game where the expansion rate
    of cultures is quantified in terms of their area and perimeter in such a way that
    approximately geometrically round cultures get a competitive advantage. We first
    analyze the model with periodic boundary conditions, where we study how the model
    can end up in a fixed state, i.e., freezes. Then we implement the model on the
    European geography with mountains and rivers. We see how the model reproduces
    some qualitative features of European culture formation, namely, that rivers and
    mountains are more frequently borders between cultures, mountainous regions tend
    to have higher cultural diversity, and the central European plain has less clear
    cultural borders.
acknowledgement: Thanks to Kim Sneppen, Svend Krøjer, Peter Wildemann, Peter Rasmussen
  and Kent Bækgaard Lauritsen for discussions and suggestions. FRK acknowledges support
  from the Villum Foundation for support through the QMATH center of Excellence (Grant
  No. 10059) and the Villum Young Investigator (Grant No. 25452) programs.
article_number: '054307'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Frederik Ravn
  full_name: Klausen, Frederik Ravn
  last_name: Klausen
- first_name: Asbjørn Bækgaard
  full_name: Lauritsen, Asbjørn Bækgaard
  id: e1a2682f-dc8d-11ea-abe3-81da9ac728f1
  last_name: Lauritsen
  orcid: 0000-0003-4476-2288
citation:
  ama: Klausen FR, Lauritsen AB. Stochastic cellular automaton model of culture formation.
    <i>Physical Review E</i>. 2023;108(5). doi:<a href="https://doi.org/10.1103/PhysRevE.108.054307">10.1103/PhysRevE.108.054307</a>
  apa: Klausen, F. R., &#38; Lauritsen, A. B. (2023). Stochastic cellular automaton
    model of culture formation. <i>Physical Review E</i>. American Physical Society.
    <a href="https://doi.org/10.1103/PhysRevE.108.054307">https://doi.org/10.1103/PhysRevE.108.054307</a>
  chicago: Klausen, Frederik Ravn, and Asbjørn Bækgaard Lauritsen. “Stochastic Cellular
    Automaton Model of Culture Formation.” <i>Physical Review E</i>. American Physical
    Society, 2023. <a href="https://doi.org/10.1103/PhysRevE.108.054307">https://doi.org/10.1103/PhysRevE.108.054307</a>.
  ieee: F. R. Klausen and A. B. Lauritsen, “Stochastic cellular automaton model of
    culture formation,” <i>Physical Review E</i>, vol. 108, no. 5. American Physical
    Society, 2023.
  ista: Klausen FR, Lauritsen AB. 2023. Stochastic cellular automaton model of culture
    formation. Physical Review E. 108(5), 054307.
  mla: Klausen, Frederik Ravn, and Asbjørn Bækgaard Lauritsen. “Stochastic Cellular
    Automaton Model of Culture Formation.” <i>Physical Review E</i>, vol. 108, no.
    5, 054307, American Physical Society, 2023, doi:<a href="https://doi.org/10.1103/PhysRevE.108.054307">10.1103/PhysRevE.108.054307</a>.
  short: F.R. Klausen, A.B. Lauritsen, Physical Review E 108 (2023).
date_created: 2023-05-04T08:35:01Z
date_published: 2023-11-08T00:00:00Z
date_updated: 2023-11-13T07:47:30Z
day: '08'
department:
- _id: GradSch
- _id: RoSe
doi: 10.1103/PhysRevE.108.054307
external_id:
  arxiv:
  - '2305.02153'
intvolume: '       108'
issue: '5'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2305.02153
month: '11'
oa: 1
oa_version: Preprint
publication: Physical Review E
publication_identifier:
  eissn:
  - 2470-0053
  issn:
  - 2470-0045
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
related_material:
  link:
  - relation: software
    url: https://github.com/FrederikRavnKlausen/model-for-culture-formation
  record:
  - id: '12869'
    relation: research_data
    status: public
scopus_import: '1'
status: public
title: Stochastic cellular automaton model of culture formation
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 108
year: '2023'
...
---
_id: '12891'
abstract:
- lang: eng
  text: "The tight spatiotemporal coordination of signaling activity determining embryo\r\npatterning
    and the physical processes driving embryo morphogenesis renders\r\nembryonic development
    robust, such that key developmental processes can unfold\r\nrelatively normally
    even outside of the full embryonic context. For instance, embryonic\r\nstem cell
    cultures can recapitulate the hallmarks of gastrulation, i.e. break symmetry\r\nleading
    to germ layer formation and morphogenesis, in a very reduced environment.\r\nThis
    leads to questions on specific contributions of embryo-specific features, such
    as\r\nthe presence of extraembryonic tissues, which are inherently involved in
    gastrulation\r\nin the full embryonic context. To address this, we established
    zebrafish embryonic\r\nexplants without the extraembryonic yolk cell, an important
    player as a signaling\r\nsource and for morphogenesis during gastrulation, as
    a model of ex vivo development.\r\nWe found that dorsal-marginal determinants
    are required and sufficient in these\r\nexplants to form and pattern all three
    germ layers. However, formation of tissues,\r\nwhich require the highest Nodal-signaling
    levels, is variable, demonstrating a\r\ncontribution of extraembryonic tissues
    for reaching peak Nodal signaling levels.\r\nBlastoderm explants also undergo
    gastrulation-like axis elongation. We found that this\r\nelongation movement shows
    hallmarks of oriented mesendoderm cell intercalations\r\ntypically associated
    with dorsal tissues in the intact embryo. These are disrupted by\r\nuniform upregulation
    of BMP signaling activity and concomitant explant ventralization,\r\nsuggesting
    that tight spatial control of BMP signaling is a prerequisite for explant\r\nmorphogenesis.
    This control is achieved by Nodal signaling, which is critical for\r\neffectively
    downregulating BMP signaling in the mesendoderm, highlighting that Nodal\r\nsignaling
    is not only directly required for mesendoderm cell fate specification and\r\nmorphogenesis,
    but also by maintaining low levels of BMP signaling at the dorsal side.\r\nCollectively,
    we provide insights into the capacity and organization of signaling and\r\nmorphogenetic
    domains to recapitulate features of zebrafish gastrulation outside of\r\nthe full
    embryonic context."
acknowledged_ssus:
- _id: Bio
- _id: LifeSc
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Alexandra
  full_name: Schauer, Alexandra
  id: 30A536BA-F248-11E8-B48F-1D18A9856A87
  last_name: Schauer
  orcid: 0000-0001-7659-9142
citation:
  ama: 'Schauer A. Mesendoderm formation in zebrafish gastrulation: The role of extraembryonic
    tissues. 2023. doi:<a href="https://doi.org/10.15479/at:ista:12891">10.15479/at:ista:12891</a>'
  apa: 'Schauer, A. (2023). <i>Mesendoderm formation in zebrafish gastrulation: The
    role of extraembryonic tissues</i>. Institute of Science and Technology Austria.
    <a href="https://doi.org/10.15479/at:ista:12891">https://doi.org/10.15479/at:ista:12891</a>'
  chicago: 'Schauer, Alexandra. “Mesendoderm Formation in Zebrafish Gastrulation:
    The Role of Extraembryonic Tissues.” Institute of Science and Technology Austria,
    2023. <a href="https://doi.org/10.15479/at:ista:12891">https://doi.org/10.15479/at:ista:12891</a>.'
  ieee: 'A. Schauer, “Mesendoderm formation in zebrafish gastrulation: The role of
    extraembryonic tissues,” Institute of Science and Technology Austria, 2023.'
  ista: 'Schauer A. 2023. Mesendoderm formation in zebrafish gastrulation: The role
    of extraembryonic tissues. Institute of Science and Technology Austria.'
  mla: 'Schauer, Alexandra. <i>Mesendoderm Formation in Zebrafish Gastrulation: The
    Role of Extraembryonic Tissues</i>. Institute of Science and Technology Austria,
    2023, doi:<a href="https://doi.org/10.15479/at:ista:12891">10.15479/at:ista:12891</a>.'
  short: 'A. Schauer, Mesendoderm Formation in Zebrafish Gastrulation: The Role of
    Extraembryonic Tissues, Institute of Science and Technology Austria, 2023.'
date_created: 2023-05-05T08:48:20Z
date_published: 2023-05-05T00:00:00Z
date_updated: 2023-08-21T06:25:48Z
day: '05'
ddc:
- '570'
degree_awarded: PhD
department:
- _id: GradSch
- _id: CaHe
doi: 10.15479/at:ista:12891
ec_funded: 1
file:
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  checksum: 59b0303dc483f40a96a610a90aab7ee9
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  creator: aschauer
  date_created: 2023-05-05T13:01:14Z
  date_updated: 2023-05-05T13:01:14Z
  embargo: 2024-05-05
  embargo_to: open_access
  file_id: '12907'
  file_name: Thesis_Schauer_final.pdf
  file_size: 31434230
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  checksum: 25f54e12479b6adaabd129a20568e6c1
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  creator: aschauer
  date_created: 2023-05-05T13:04:15Z
  date_updated: 2023-05-05T13:04:15Z
  file_id: '12908'
  file_name: Thesis_Schauer_final.docx
  file_size: 43809109
  relation: source_file
file_date_updated: 2023-05-05T13:04:15Z
has_accepted_license: '1'
language:
- iso: eng
month: '05'
oa_version: Published Version
page: '190'
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: 26B1E39C-B435-11E9-9278-68D0E5697425
  grant_number: '25239'
  name: 'Mesendoderm specification in zebrafish: The role of extraembryonic tissues'
publication_identifier:
  issn:
  - 2663 - 337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '8966'
    relation: part_of_dissertation
    status: public
  - id: '7888'
    relation: part_of_dissertation
    status: public
status: public
supervisor:
- 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
title: 'Mesendoderm formation in zebrafish gastrulation: The role of extraembryonic
  tissues'
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2023'
...
---
_id: '12897'
abstract:
- lang: eng
  text: "Inverse design problems in fabrication-aware shape optimization are typically
    solved on discrete representations such as polygonal meshes. This thesis argues
    that there are benefits to treating these problems in the same domain as human
    designers, namely, the parametric one. One reason is that discretizing a parametric
    model usually removes the capability of making further manual changes to the design,
    because the human intent is captured by the shape parameters. Beyond this, knowledge
    about a design problem can sometimes reveal a structure that is present in a smooth
    representation, but is fundamentally altered by discretizing. In this case, working
    in the parametric domain may even simplify the optimization task. We present two
    lines of research that explore both of these aspects of fabrication-aware shape
    optimization on parametric representations.\r\n\r\nThe first project studies the
    design of plane elastic curves and Kirchhoff rods, which are common mathematical
    models for describing the deformation of thin elastic rods such as beams, ribbons,
    cables, and hair. Our main contribution is a characterization of all curved shapes
    that can be attained by bending and twisting elastic rods having a stiffness that
    is allowed to vary across the length. Elements like these can be manufactured
    using digital fabrication devices such as 3d printers and digital cutters, and
    have applications in free-form architecture and soft robotics.\r\n\r\nWe show
    that the family of curved shapes that can be produced this way admits geometric
    description that is concise and computationally convenient. In the case of plane
    curves, the geometric description is intuitive enough to allow a designer to determine
    whether a curved shape is physically achievable by visual inspection alone. We
    also present shape optimization algorithms that convert a user-defined curve in
    the plane or in three dimensions into the geometry of an elastic rod that will
    naturally deform to follow this curve when its endpoints are attached to a support
    structure. Implemented in an interactive software design tool, the rod geometry
    is generated in real time as the user edits a curve and enables fast prototyping.
    \r\n\r\nThe second project tackles the problem of general-purpose shape optimization
    on CAD models using a novel variant of the extended finite element method (XFEM).
    Our goal is the decoupling between the simulation mesh and the CAD model, so no
    geometry-dependent meshing or remeshing needs to be performed when the CAD parameters
    change during optimization. This is achieved by discretizing the embedding space
    of the CAD model, and using a new high-accuracy numerical integration method to
    enable XFEM on free-form elements bounded by the parametric surface patches of
    the model. Our simulation is differentiable from the CAD parameters to the simulation
    output, which enables us to use off-the-shelf gradient-based optimization procedures.
    The result is a method that fits seamlessly into the CAD workflow because it works
    on the same representation as the designer, enabling the alternation of manual
    editing and fabrication-aware optimization at will."
acknowledged_ssus:
- _id: M-Shop
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Christian
  full_name: Hafner, Christian
  id: 400429CC-F248-11E8-B48F-1D18A9856A87
  last_name: Hafner
citation:
  ama: 'Hafner C. Inverse shape design with parametric representations: Kirchhoff
    Rods and parametric surface models. 2023. doi:<a href="https://doi.org/10.15479/at:ista:12897">10.15479/at:ista:12897</a>'
  apa: 'Hafner, C. (2023). <i>Inverse shape design with parametric representations:
    Kirchhoff Rods and parametric surface models</i>. Institute of Science and Technology
    Austria. <a href="https://doi.org/10.15479/at:ista:12897">https://doi.org/10.15479/at:ista:12897</a>'
  chicago: 'Hafner, Christian. “Inverse Shape Design with Parametric Representations:
    Kirchhoff Rods and Parametric Surface Models.” Institute of Science and Technology
    Austria, 2023. <a href="https://doi.org/10.15479/at:ista:12897">https://doi.org/10.15479/at:ista:12897</a>.'
  ieee: 'C. Hafner, “Inverse shape design with parametric representations: Kirchhoff
    Rods and parametric surface models,” Institute of Science and Technology Austria,
    2023.'
  ista: 'Hafner C. 2023. Inverse shape design with parametric representations: Kirchhoff
    Rods and parametric surface models. Institute of Science and Technology Austria.'
  mla: 'Hafner, Christian. <i>Inverse Shape Design with Parametric Representations:
    Kirchhoff Rods and Parametric Surface Models</i>. Institute of Science and Technology
    Austria, 2023, doi:<a href="https://doi.org/10.15479/at:ista:12897">10.15479/at:ista:12897</a>.'
  short: 'C. Hafner, Inverse Shape Design with Parametric Representations: Kirchhoff
    Rods and Parametric Surface Models, Institute of Science and Technology Austria,
    2023.'
date_created: 2023-05-05T10:40:14Z
date_published: 2023-05-05T00:00:00Z
date_updated: 2024-01-29T10:47:51Z
day: '05'
ddc:
- '516'
- '004'
- '518'
- '531'
degree_awarded: PhD
department:
- _id: GradSch
- _id: BeBi
doi: 10.15479/at:ista:12897
ec_funded: 1
file:
- access_level: open_access
  checksum: cc2094e92fa27000b70eb4bfb76d6b5a
  content_type: application/pdf
  creator: chafner
  date_created: 2023-05-11T10:43:20Z
  date_updated: 2023-12-08T23:30:04Z
  embargo: 2023-12-07
  file_id: '12942'
  file_name: thesis-hafner-2023may11-a2b.pdf
  file_size: 50714445
  relation: main_file
- access_level: closed
  checksum: a6b51334be2b81672357b1549afab40c
  content_type: application/pdf
  creator: chafner
  date_created: 2023-05-11T10:43:44Z
  date_updated: 2023-12-08T23:30:04Z
  embargo_to: open_access
  file_id: '12943'
  file_name: thesis-release-form.pdf
  file_size: 265319
  relation: source_file
file_date_updated: 2023-12-08T23:30:04Z
has_accepted_license: '1'
language:
- iso: eng
month: '05'
oa: 1
oa_version: Published Version
page: '180'
project:
- _id: 24F9549A-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '715767'
  name: 'MATERIALIZABLE: Intelligent fabrication-oriented Computational Design and
    Modeling'
publication_identifier:
  isbn:
  - 978-3-99078-031-2
  issn:
  - 2663-337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '9817'
    relation: part_of_dissertation
    status: public
  - id: '7117'
    relation: part_of_dissertation
    status: public
  - id: '13188'
    relation: dissertation_contains
    status: public
status: public
supervisor:
- first_name: Bernd
  full_name: Bickel, Bernd
  id: 49876194-F248-11E8-B48F-1D18A9856A87
  last_name: Bickel
  orcid: 0000-0001-6511-9385
title: 'Inverse shape design with parametric representations: Kirchhoff Rods and parametric
  surface models'
type: dissertation
user_id: 400429CC-F248-11E8-B48F-1D18A9856A87
year: '2023'
...
---
_id: '12900'
abstract:
- lang: eng
  text: "About a 100 years ago, we discovered that our universe is inherently noisy,
    that is, measuring any physical quantity with a precision beyond a certain point
    is not possible because of an omnipresent inherent noise. We call this - the quantum
    noise. Certain physical processes allow this quantum noise to get correlated in
    conjugate physical variables. These quantum correlations can be used to go beyond
    the potential of our inherently noisy universe and obtain a quantum advantage
    over the classical applications. \r\n\r\nQuantum noise being inherent also means
    that, at the fundamental level, the physical quantities are not well defined and
    therefore, objects can stay in multiple states at the same time. For example,
    the position of a particle not being well defined means that the particle is in
    multiple positions at the same time. About 4 decades ago, we started exploring
    the possibility of using objects which can be in multiple states at the same time
    to increase the dimensionality in computation. Thus, the field of quantum computing
    was born. We discovered that using quantum entanglement, a property closely related
    to quantum correlations, can be used to speed up computation of certain problems,
    such as factorisation of large numbers, faster than any known classical algorithm.
    Thus began the pursuit to make quantum computers a reality. \r\n\r\nTill date,
    we have explored quantum control over many physical systems including photons,
    spins, atoms, ions and even simple circuits made up of superconducting material.
    However, there persists one ubiquitous theme. The more readily a system interacts
    with an external field or matter, the more easily we can control it. But this
    also means that such a system can easily interact with a noisy environment and
    quickly lose its coherence. Consequently, such systems like electron spins need
    to be protected from the environment to ensure the longevity of their coherence.
    Other systems like nuclear spins are naturally protected as they do not interact
    easily with the environment. But, due to the same reason, it is harder to interact
    with such systems. \r\n\r\nAfter decades of experimentation with various systems,
    we are convinced that no one type of quantum system would be the best for all
    the quantum applications. We would need hybrid systems which are all interconnected
    - much like the current internet where all sorts of devices can all talk to each
    other - but now for quantum devices. A quantum internet. \r\n\r\nOptical photons
    are the best contenders to carry information for the quantum internet. They can
    carry quantum information cheaply and without much loss - the same reasons which
    has made them the backbone of our current internet. Following this direction,
    many systems, like trapped ions, have already demonstrated successful quantum
    links over a large distances using optical photons. However, some of the most
    promising contenders for quantum computing which are based on microwave frequencies
    have been left behind. This is because high energy optical photons can adversely
    affect fragile low-energy microwave systems. \r\n\r\nIn this thesis, we present
    substantial progress on this missing quantum link between microwave and optics
    using electrooptical nonlinearities in lithium niobate. The nonlinearities are
    enhanced by using resonant cavities for all the involved modes leading to observation
    of strong direct coupling between optical and microwave frequencies. With this
    strong coupling we are not only able to achieve almost 100\\% internal conversion
    efficiency with low added noise, thus presenting a quantum-enabled transducer,
    but also we are able to observe novel effects such as cooling of a microwave mode
    using optics. The strong coupling regime also leads to direct observation of dynamical
    backaction effect between microwave and optical frequencies which are studied
    in detail here. Finally, we also report first observation of microwave-optics
    entanglement in form of two-mode squeezed vacuum squeezed 0.7dB below vacuum level.
    \r\nWith this new bridge between microwave and optics, the microwave-based quantum
    technologies can finally be a part of a quantum network which is based on optical
    photons - putting us one step closer to a future with quantum internet. "
acknowledged_ssus:
- _id: M-Shop
- _id: SSU
- _id: NanoFab
alternative_title:
- ISTA Thesis
article_processing_charge: No
author:
- first_name: Rishabh
  full_name: Sahu, Rishabh
  id: 47D26E34-F248-11E8-B48F-1D18A9856A87
  last_name: Sahu
  orcid: 0000-0001-6264-2162
citation:
  ama: Sahu R. Cavity quantum electrooptics. 2023. doi:<a href="https://doi.org/10.15479/at:ista:12900">10.15479/at:ista:12900</a>
  apa: Sahu, R. (2023). <i>Cavity quantum electrooptics</i>. Institute of Science
    and Technology Austria. <a href="https://doi.org/10.15479/at:ista:12900">https://doi.org/10.15479/at:ista:12900</a>
  chicago: Sahu, Rishabh. “Cavity Quantum Electrooptics.” Institute of Science and
    Technology Austria, 2023. <a href="https://doi.org/10.15479/at:ista:12900">https://doi.org/10.15479/at:ista:12900</a>.
  ieee: R. Sahu, “Cavity quantum electrooptics,” Institute of Science and Technology
    Austria, 2023.
  ista: Sahu R. 2023. Cavity quantum electrooptics. Institute of Science and Technology
    Austria.
  mla: Sahu, Rishabh. <i>Cavity Quantum Electrooptics</i>. Institute of Science and
    Technology Austria, 2023, doi:<a href="https://doi.org/10.15479/at:ista:12900">10.15479/at:ista:12900</a>.
  short: R. Sahu, Cavity Quantum Electrooptics, Institute of Science and Technology
    Austria, 2023.
date_created: 2023-05-05T11:08:50Z
date_published: 2023-05-05T00:00:00Z
date_updated: 2024-10-29T09:11:05Z
day: '05'
ddc:
- '537'
- '535'
- '539'
degree_awarded: PhD
department:
- _id: GradSch
- _id: JoFi
doi: 10.15479/at:ista:12900
ec_funded: 1
file:
- access_level: closed
  checksum: 8cbdab9c37ee55e591092a6f66b272c4
  content_type: application/x-zip-compressed
  creator: rsahu
  date_created: 2023-05-09T08:45:14Z
  date_updated: 2023-06-06T22:30:03Z
  embargo_to: open_access
  file_id: '12928'
  file_name: thesis.zip
  file_size: 36767177
  relation: source_file
- access_level: closed
  checksum: 439659ead46618147309be39d9dd5a8c
  content_type: application/pdf
  creator: rsahu
  date_created: 2023-05-09T08:51:17Z
  date_updated: 2023-07-06T11:37:40Z
  file_id: '12929'
  file_name: thesis_pdfa_final.pdf
  file_size: 17501990
  relation: main_file
file_date_updated: 2023-07-06T11:37:40Z
has_accepted_license: '1'
keyword:
- quantum optics
- electrooptics
- quantum networks
- quantum communication
- transduction
language:
- iso: eng
license: https://creativecommons.org/licenses/by-nc-sa/4.0/
month: '05'
oa_version: Published Version
page: '190'
project:
- _id: 26336814-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '758053'
  name: A Fiber Optic Transceiver for Superconducting Qubits
- _id: 9B868D20-BA93-11EA-9121-9846C619BF3A
  call_identifier: H2020
  grant_number: '899354'
  name: Quantum Local Area Networks with Superconducting Qubits
- _id: bdb108fd-d553-11ed-ba76-83dc74a9864f
  name: QUANTUM INFORMATION SYSTEMS BEYOND CLASSICAL CAPABILITIES / P5- Integration
    of Superconducting Quantum Circuits
publication_identifier:
  isbn:
  - 978-3-99078-030-5
  issn:
  - 2663 - 337X
publication_status: published
publisher: Institute of Science and Technology Austria
related_material:
  record:
  - id: '9114'
    relation: part_of_dissertation
    status: public
  - id: '10924'
    relation: part_of_dissertation
    status: public
  - id: '13175'
    relation: new_edition
    status: public
status: public
supervisor:
- first_name: Johannes M
  full_name: Fink, Johannes M
  id: 4B591CBA-F248-11E8-B48F-1D18A9856A87
  last_name: Fink
  orcid: 0000-0001-8112-028X
title: Cavity quantum electrooptics
tmp:
  image: /images/cc_by_nc_sa.png
  legal_code_url: https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
  name: Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC
    BY-NC-SA 4.0)
  short: CC BY-NC-SA (4.0)
type: dissertation
user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9
year: '2023'
...
---
_id: '12911'
abstract:
- lang: eng
  text: 'This paper establishes new connections between many-body quantum systems,
    One-body Reduced Density Matrices Functional Theory (1RDMFT) and Optimal Transport
    (OT), by interpreting the problem of computing the ground-state energy of a finite-dimensional
    composite quantum system at positive temperature as a non-commutative entropy
    regularized Optimal Transport problem. We develop a new approach to fully characterize
    the dual-primal solutions in such non-commutative setting. The mathematical formalism
    is particularly relevant in quantum chemistry: numerical realizations of the many-electron
    ground-state energy can be computed via a non-commutative version of Sinkhorn
    algorithm. Our approach allows to prove convergence and robustness of this algorithm,
    which, to our best knowledge, were unknown even in the two marginal case. Our
    methods are based on a priori estimates in the dual problem, which we believe
    to be of independent interest. Finally, the above results are extended in 1RDMFT
    setting, where bosonic or fermionic symmetry conditions are enforced on the problem.'
acknowledgement: "This work started when A.G. was visiting the Erwin Schrödinger Institute
  and then continued when D.F. and L.P visited the Theoretical Chemistry Department
  of the Vrije Universiteit Amsterdam. The authors thank the hospitality of both places
  and, especially, P. Gori-Giorgi and K. Giesbertz for fruitful discussions and literature
  suggestions in the early state of the project. The authors also thank J. Maas and
  R. Seiringer for their feedback and useful comments to a first draft of the article.
  Finally, we acknowledge the high quality review done by the anonymous referee of
  our paper, who we would like to thank for the excellent work and constructive feedback.\r\nD.F
  acknowledges support by the European Research Council (ERC) under the European Union's
  Horizon 2020 research and innovation programme (grant agreements No 716117 and No
  694227). A.G. acknowledges funding by the HORIZON EUROPE European Research Council
  under H2020/MSCA-IF “OTmeetsDFT” [grant ID: 795942] as well as partial support of
  his research by the Canada Research Chairs Program (ID 2021-00234) and Natural Sciences
  and Engineering Research Council of Canada, RGPIN-2022-05207. L.P. acknowledges
  support by the Austrian Science Fund (FWF), grants No W1245 and No F65, and by the
  Deutsche Forschungsgemeinschaft (DFG) - Project number 390685813."
article_number: '109963'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Dario
  full_name: Feliciangeli, Dario
  id: 41A639AA-F248-11E8-B48F-1D18A9856A87
  last_name: Feliciangeli
  orcid: 0000-0003-0754-8530
- first_name: Augusto
  full_name: Gerolin, Augusto
  last_name: Gerolin
- first_name: Lorenzo
  full_name: Portinale, Lorenzo
  id: 30AD2CBC-F248-11E8-B48F-1D18A9856A87
  last_name: Portinale
citation:
  ama: Feliciangeli D, Gerolin A, Portinale L. A non-commutative entropic optimal
    transport approach to quantum composite systems at positive temperature. <i>Journal
    of Functional Analysis</i>. 2023;285(4). doi:<a href="https://doi.org/10.1016/j.jfa.2023.109963">10.1016/j.jfa.2023.109963</a>
  apa: Feliciangeli, D., Gerolin, A., &#38; Portinale, L. (2023). A non-commutative
    entropic optimal transport approach to quantum composite systems at positive temperature.
    <i>Journal of Functional Analysis</i>. Elsevier. <a href="https://doi.org/10.1016/j.jfa.2023.109963">https://doi.org/10.1016/j.jfa.2023.109963</a>
  chicago: Feliciangeli, Dario, Augusto Gerolin, and Lorenzo Portinale. “A Non-Commutative
    Entropic Optimal Transport Approach to Quantum Composite Systems at Positive Temperature.”
    <i>Journal of Functional Analysis</i>. Elsevier, 2023. <a href="https://doi.org/10.1016/j.jfa.2023.109963">https://doi.org/10.1016/j.jfa.2023.109963</a>.
  ieee: D. Feliciangeli, A. Gerolin, and L. Portinale, “A non-commutative entropic
    optimal transport approach to quantum composite systems at positive temperature,”
    <i>Journal of Functional Analysis</i>, vol. 285, no. 4. Elsevier, 2023.
  ista: Feliciangeli D, Gerolin A, Portinale L. 2023. A non-commutative entropic optimal
    transport approach to quantum composite systems at positive temperature. Journal
    of Functional Analysis. 285(4), 109963.
  mla: Feliciangeli, Dario, et al. “A Non-Commutative Entropic Optimal Transport Approach
    to Quantum Composite Systems at Positive Temperature.” <i>Journal of Functional
    Analysis</i>, vol. 285, no. 4, 109963, Elsevier, 2023, doi:<a href="https://doi.org/10.1016/j.jfa.2023.109963">10.1016/j.jfa.2023.109963</a>.
  short: D. Feliciangeli, A. Gerolin, L. Portinale, Journal of Functional Analysis
    285 (2023).
date_created: 2023-05-07T22:01:02Z
date_published: 2023-08-15T00:00:00Z
date_updated: 2023-11-14T13:21:01Z
day: '15'
department:
- _id: RoSe
- _id: JaMa
doi: 10.1016/j.jfa.2023.109963
ec_funded: 1
external_id:
  arxiv:
  - '2106.11217'
  isi:
  - '000990804300001'
intvolume: '       285'
isi: 1
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2106.11217
month: '08'
oa: 1
oa_version: Preprint
project:
- _id: 256E75B8-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '716117'
  name: Optimal Transport and Stochastic Dynamics
- _id: 25C6DC12-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '694227'
  name: Analysis of quantum many-body systems
- _id: 260482E2-B435-11E9-9278-68D0E5697425
  call_identifier: FWF
  grant_number: ' F06504'
  name: Taming Complexity in Partial Di erential Systems
publication: Journal of Functional Analysis
publication_identifier:
  eissn:
  - 1096-0783
  issn:
  - 0022-1236
publication_status: published
publisher: Elsevier
quality_controlled: '1'
related_material:
  record:
  - id: '9792'
    relation: earlier_version
    status: public
scopus_import: '1'
status: public
title: A non-commutative entropic optimal transport approach to quantum composite
  systems at positive temperature
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 285
year: '2023'
...
---
_id: '12912'
abstract:
- lang: eng
  text: The chemical potential of adsorbed or confined fluids provides insight into
    their unique thermodynamic properties and determines adsorption isotherms. However,
    it is often difficult to compute this quantity from atomistic simulations using
    existing statistical mechanical methods. We introduce a computational framework
    that utilizes static structure factors, thermodynamic integration, and free energy
    perturbation for calculating the absolute chemical potential of fluids. For demonstration,
    we apply the method to compute the adsorption isotherms of carbon dioxide in a
    metal-organic framework and water in carbon nanotubes.
acknowledgement: We thank Aleks Reinhardt and Daan Frenkel for their insightful comments
  and suggestions on the article. B.C. acknowledges the resources provided by the
  Cambridge Tier-2 system operated by the University of Cambridge Research Computing
  Service funded by EPSRC Tier-2 capital Grant No. EP/P020259/1.
article_number: '161101 '
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Rochus
  full_name: Schmid, Rochus
  last_name: Schmid
- first_name: Bingqing
  full_name: Cheng, Bingqing
  id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
  last_name: Cheng
  orcid: 0000-0002-3584-9632
citation:
  ama: Schmid R, Cheng B. Computing chemical potentials of adsorbed or confined fluids.
    <i>The Journal of Chemical Physics</i>. 2023;158(16). doi:<a href="https://doi.org/10.1063/5.0146711">10.1063/5.0146711</a>
  apa: Schmid, R., &#38; Cheng, B. (2023). Computing chemical potentials of adsorbed
    or confined fluids. <i>The Journal of Chemical Physics</i>. AIP Publishing. <a
    href="https://doi.org/10.1063/5.0146711">https://doi.org/10.1063/5.0146711</a>
  chicago: Schmid, Rochus, and Bingqing Cheng. “Computing Chemical Potentials of Adsorbed
    or Confined Fluids.” <i>The Journal of Chemical Physics</i>. AIP Publishing, 2023.
    <a href="https://doi.org/10.1063/5.0146711">https://doi.org/10.1063/5.0146711</a>.
  ieee: R. Schmid and B. Cheng, “Computing chemical potentials of adsorbed or confined
    fluids,” <i>The Journal of Chemical Physics</i>, vol. 158, no. 16. AIP Publishing,
    2023.
  ista: Schmid R, Cheng B. 2023. Computing chemical potentials of adsorbed or confined
    fluids. The Journal of Chemical Physics. 158(16), 161101.
  mla: Schmid, Rochus, and Bingqing Cheng. “Computing Chemical Potentials of Adsorbed
    or Confined Fluids.” <i>The Journal of Chemical Physics</i>, vol. 158, no. 16,
    161101, AIP Publishing, 2023, doi:<a href="https://doi.org/10.1063/5.0146711">10.1063/5.0146711</a>.
  short: R. Schmid, B. Cheng, The Journal of Chemical Physics 158 (2023).
date_created: 2023-05-07T22:01:03Z
date_published: 2023-04-24T00:00:00Z
date_updated: 2023-08-01T14:34:49Z
day: '24'
ddc:
- '540'
department:
- _id: BiCh
doi: 10.1063/5.0146711
external_id:
  arxiv:
  - '2302.01297'
  isi:
  - '001010676000010'
  pmid:
  - '37093149'
file:
- access_level: open_access
  checksum: 4ab8c965f2fa4e17920bfa846847f137
  content_type: application/pdf
  creator: dernst
  date_created: 2023-05-08T07:44:49Z
  date_updated: 2023-05-08T07:44:49Z
  file_id: '12918'
  file_name: 2023_JourChemicalPhysics_Schmid.pdf
  file_size: 6499468
  relation: main_file
  success: 1
file_date_updated: 2023-05-08T07:44:49Z
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intvolume: '       158'
isi: 1
issue: '16'
language:
- iso: eng
month: '04'
oa: 1
oa_version: Published Version
pmid: 1
publication: The Journal of Chemical Physics
publication_identifier:
  eissn:
  - 1089-7690
publication_status: published
publisher: AIP Publishing
quality_controlled: '1'
related_material:
  link:
  - relation: software
    url: https://github.com/BingqingCheng/mu-adsorption
  - relation: software
    url: https://github.com/BingqingCheng/S0
scopus_import: '1'
status: public
title: Computing chemical potentials of adsorbed or confined fluids
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: '12913'
abstract:
- lang: eng
  text: The coexistence of gate-tunable superconducting, magnetic and topological
    orders in magic-angle twisted bilayer graphene provides opportunities for the
    creation of hybrid Josephson junctions. Here we report the fabrication of gate-defined
    symmetry-broken Josephson junctions in magic-angle twisted bilayer graphene, where
    the weak link is gate-tuned close to the correlated insulator state with a moiré
    filling factor of υ = −2. We observe a phase-shifted and asymmetric Fraunhofer
    pattern with a pronounced magnetic hysteresis. Our theoretical calculations of
    the junction weak link—with valley polarization and orbital magnetization—explain
    most of these unconventional features. The effects persist up to the critical
    temperature of 3.5 K, with magnetic hysteresis observed below 800 mK. We show
    how the combination of magnetization and its current-induced magnetization switching
    allows us to realise a programmable zero-field superconducting diode. Our results
    represent a major advance towards the creation of future superconducting quantum
    electronic devices.
acknowledgement: We are grateful for the fruitful discussions with Allan MacDonald
  and Andrei Bernevig. D.K.E. acknowledges support from the Ministry of Economy and
  Competitiveness of Spain through the “Severo Ochoa” program for Centers of Excellence
  in R&D (SE5-0522), Fundació Privada Cellex, Fundació Privada Mir-Puig, the Generalitat
  de Catalunya through the CERCA program, funding from the European Research Council
  (ERC) under the European Union’s Horizon 2020 research and innovation program (grant
  agreement no. 852927)” and the La Caixa Foundation. K.T.L. acknowledges the support
  of the Ministry of Science and Technology of China and the HKRGC through grants
  MOST20SC04, C6025-19G, 16310219, 16309718, and 16310520. J.D.M. acknowledges support
  from the INPhINIT ‘la Caixa’ Foundation (ID 100010434) fellowship program (LCF/BQ/DI19/11730021).
  Y.M.X. acknowledges the support of HKRGC through Grant No. PDFS2223-6S01.
article_number: '2396'
article_processing_charge: No
article_type: original
author:
- first_name: J.
  full_name: Díez-Mérida, J.
  last_name: Díez-Mérida
- first_name: A.
  full_name: Díez-Carlón, A.
  last_name: Díez-Carlón
- first_name: S. Y.
  full_name: Yang, S. Y.
  last_name: Yang
- first_name: Y. M.
  full_name: Xie, Y. M.
  last_name: Xie
- first_name: X. J.
  full_name: Gao, X. J.
  last_name: Gao
- first_name: Jorden L
  full_name: Senior, Jorden L
  id: 5479D234-2D30-11EA-89CC-40953DDC885E
  last_name: Senior
- first_name: K.
  full_name: Watanabe, K.
  last_name: Watanabe
- first_name: T.
  full_name: Taniguchi, T.
  last_name: Taniguchi
- first_name: X.
  full_name: Lu, X.
  last_name: Lu
- first_name: Andrew P
  full_name: Higginbotham, Andrew P
  id: 4AD6785A-F248-11E8-B48F-1D18A9856A87
  last_name: Higginbotham
  orcid: 0000-0003-2607-2363
- first_name: K. T.
  full_name: Law, K. T.
  last_name: Law
- first_name: Dmitri K.
  full_name: Efetov, Dmitri K.
  last_name: Efetov
citation:
  ama: Díez-Mérida J, Díez-Carlón A, Yang SY, et al. Symmetry-broken Josephson junctions
    and superconducting diodes in magic-angle twisted bilayer graphene. <i>Nature
    Communications</i>. 2023;14. doi:<a href="https://doi.org/10.1038/s41467-023-38005-7">10.1038/s41467-023-38005-7</a>
  apa: Díez-Mérida, J., Díez-Carlón, A., Yang, S. Y., Xie, Y. M., Gao, X. J., Senior,
    J. L., … Efetov, D. K. (2023). Symmetry-broken Josephson junctions and superconducting
    diodes in magic-angle twisted bilayer graphene. <i>Nature Communications</i>.
    Springer Nature. <a href="https://doi.org/10.1038/s41467-023-38005-7">https://doi.org/10.1038/s41467-023-38005-7</a>
  chicago: Díez-Mérida, J., A. Díez-Carlón, S. Y. Yang, Y. M. Xie, X. J. Gao, Jorden
    L Senior, K. Watanabe, et al. “Symmetry-Broken Josephson Junctions and Superconducting
    Diodes in Magic-Angle Twisted Bilayer Graphene.” <i>Nature Communications</i>.
    Springer Nature, 2023. <a href="https://doi.org/10.1038/s41467-023-38005-7">https://doi.org/10.1038/s41467-023-38005-7</a>.
  ieee: J. Díez-Mérida <i>et al.</i>, “Symmetry-broken Josephson junctions and superconducting
    diodes in magic-angle twisted bilayer graphene,” <i>Nature Communications</i>,
    vol. 14. Springer Nature, 2023.
  ista: Díez-Mérida J, Díez-Carlón A, Yang SY, Xie YM, Gao XJ, Senior JL, Watanabe
    K, Taniguchi T, Lu X, Higginbotham AP, Law KT, Efetov DK. 2023. Symmetry-broken
    Josephson junctions and superconducting diodes in magic-angle twisted bilayer
    graphene. Nature Communications. 14, 2396.
  mla: Díez-Mérida, J., et al. “Symmetry-Broken Josephson Junctions and Superconducting
    Diodes in Magic-Angle Twisted Bilayer Graphene.” <i>Nature Communications</i>,
    vol. 14, 2396, Springer Nature, 2023, doi:<a href="https://doi.org/10.1038/s41467-023-38005-7">10.1038/s41467-023-38005-7</a>.
  short: J. Díez-Mérida, A. Díez-Carlón, S.Y. Yang, Y.M. Xie, X.J. Gao, J.L. Senior,
    K. Watanabe, T. Taniguchi, X. Lu, A.P. Higginbotham, K.T. Law, D.K. Efetov, Nature
    Communications 14 (2023).
date_created: 2023-05-07T22:01:03Z
date_published: 2023-04-26T00:00:00Z
date_updated: 2023-08-01T14:34:00Z
day: '26'
ddc:
- '530'
department:
- _id: AnHi
doi: 10.1038/s41467-023-38005-7
external_id:
  isi:
  - '000979744000004'
  pmid:
  - '37100775'
file:
- access_level: open_access
  checksum: a778105665c10beb2354c92d2b295115
  content_type: application/pdf
  creator: dernst
  date_created: 2023-05-08T07:26:40Z
  date_updated: 2023-05-08T07:26:40Z
  file_id: '12917'
  file_name: 2023_NatureComm_DiezMerida.pdf
  file_size: 1405588
  relation: main_file
  success: 1
file_date_updated: 2023-05-08T07:26:40Z
has_accepted_license: '1'
intvolume: '        14'
isi: 1
language:
- iso: eng
month: '04'
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: Symmetry-broken Josephson junctions and superconducting diodes in magic-angle
  twisted bilayer graphene
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: '12914'
abstract:
- lang: eng
  text: We numerically study two methods of measuring tunneling times using a quantum
    clock. In the conventional method using the Larmor clock, we show that the Larmor
    tunneling time can be shorter for higher tunneling barriers. In the second method,
    we study the probability of a spin-flip of a particle when it is transmitted through
    a potential barrier including a spatially rotating field interacting with its
    spin. According to the adiabatic theorem, the probability depends on the velocity
    of the particle inside the barrier. It is numerically observed that the probability
    increases for higher barriers, which is consistent with the result obtained by
    the Larmor clock. By comparing outcomes for different initial spin states, we
    suggest that one of the main causes of the apparent decrease in the tunneling
    time can be the filtering effect occurring at the end of the barrier.
acknowledgement: We thank W. H. Zurek, N. Sinitsyn, M. O. Scully, M. Arndt, and C.
  H. Marrows for helpful discussions. F.S. acknowledges support from the Los Alamos
  National Laboratory LDRD program under Project No. 20230049DR and the Center for
  Nonlinear Studies. F.S. also thanks the European Union’s Horizon 2020 research and
  innovation program under the Marie Skłodowska-Curie Grant No. 754411 for support.
  W.G.U. thanks the Natural Science and Engineering Research Council of Canada, the
  Hagler Institute of Texas A&M University, the Helmholz Inst HZDR, Germany for support
  while this work was being done.
article_number: '042216'
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Fumika
  full_name: Suzuki, Fumika
  id: 650C99FC-1079-11EA-A3C0-73AE3DDC885E
  last_name: Suzuki
  orcid: 0000-0003-4982-5970
- first_name: William G.
  full_name: Unruh, William G.
  last_name: Unruh
citation:
  ama: Suzuki F, Unruh WG. Numerical quantum clock simulations for measuring tunneling
    times. <i>Physical Review A</i>. 2023;107(4). doi:<a href="https://doi.org/10.1103/PhysRevA.107.042216">10.1103/PhysRevA.107.042216</a>
  apa: Suzuki, F., &#38; Unruh, W. G. (2023). Numerical quantum clock simulations
    for measuring tunneling times. <i>Physical Review A</i>. American Physical Society.
    <a href="https://doi.org/10.1103/PhysRevA.107.042216">https://doi.org/10.1103/PhysRevA.107.042216</a>
  chicago: Suzuki, Fumika, and William G. Unruh. “Numerical Quantum Clock Simulations
    for Measuring Tunneling Times.” <i>Physical Review A</i>. American Physical Society,
    2023. <a href="https://doi.org/10.1103/PhysRevA.107.042216">https://doi.org/10.1103/PhysRevA.107.042216</a>.
  ieee: F. Suzuki and W. G. Unruh, “Numerical quantum clock simulations for measuring
    tunneling times,” <i>Physical Review A</i>, vol. 107, no. 4. American Physical
    Society, 2023.
  ista: Suzuki F, Unruh WG. 2023. Numerical quantum clock simulations for measuring
    tunneling times. Physical Review A. 107(4), 042216.
  mla: Suzuki, Fumika, and William G. Unruh. “Numerical Quantum Clock Simulations
    for Measuring Tunneling Times.” <i>Physical Review A</i>, vol. 107, no. 4, 042216,
    American Physical Society, 2023, doi:<a href="https://doi.org/10.1103/PhysRevA.107.042216">10.1103/PhysRevA.107.042216</a>.
  short: F. Suzuki, W.G. Unruh, Physical Review A 107 (2023).
date_created: 2023-05-07T22:01:03Z
date_published: 2023-04-20T00:00:00Z
date_updated: 2023-08-01T14:33:21Z
day: '20'
department:
- _id: MiLe
doi: 10.1103/PhysRevA.107.042216
ec_funded: 1
external_id:
  arxiv:
  - '2207.13130'
  isi:
  - '000975799300006'
intvolume: '       107'
isi: 1
issue: '4'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2207.13130
month: '04'
oa: 1
oa_version: Preprint
project:
- _id: 260C2330-B435-11E9-9278-68D0E5697425
  call_identifier: H2020
  grant_number: '754411'
  name: ISTplus - Postdoctoral Fellowships
publication: Physical Review A
publication_identifier:
  eissn:
  - 2469-9934
  issn:
  - 2469-9926
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Numerical quantum clock simulations for measuring tunneling times
type: journal_article
user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8
volume: 107
year: '2023'
...
---
_id: '12915'
abstract:
- lang: eng
  text: Cu2–xS and Cu2–xSe have recently been reported as promising thermoelectric
    (TE) materials for medium-temperature applications. In contrast, Cu2–xTe, another
    member of the copper chalcogenide family, typically exhibits low Seebeck coefficients
    that limit its potential to achieve a superior thermoelectric figure of merit,
    zT, particularly in the low-temperature range where this material could be effective.
    To address this, we investigated the TE performance of Cu1.5–xTe–Cu2Se nanocomposites
    by consolidating surface-engineered Cu1.5Te nanocrystals. This surface engineering
    strategy allows for precise adjustment of Cu/Te ratios and results in a reversible
    phase transition at around 600 K in Cu1.5–xTe–Cu2Se nanocomposites, as systematically
    confirmed by in situ high-temperature X-ray diffraction combined with differential
    scanning calorimetry analysis. The phase transition leads to a conversion from
    metallic-like to semiconducting-like TE properties. Additionally, a layer of Cu2Se
    generated around Cu1.5–xTe nanoparticles effectively inhibits Cu1.5–xTe grain
    growth, minimizing thermal conductivity and decreasing hole concentration. These
    properties indicate that copper telluride based compounds have a promising thermoelectric
    potential, translated into a high dimensionless zT of 1.3 at 560 K.
acknowledgement: 'The authors acknowledge support from the projects ENE2016-77798-C4-3-R
  and NANOGEN (PID2020-116093RB-C43) funded by MCIN/AEI/10.13039/501100011033/and
  by “ERDF A way of making Europe”, and by the “European Union”. K.X. and B.N. thank
  the China Scholarship Council (CSC) for scholarship support. The authors acknowledge
  funding from Generalitat de Catalunya 2017 SGR 327 and 2017 SGR 1246. ICN2 is supported
  by the Severo Ochoa program from the Spanish MCIN/AEI (Grant No.: CEX2021-001214-S).
  IREC and ICN2 are funded by the CERCA Programme/Generalitat de Catalunya. J.L. acknowledges
  support from the Natural Science Foundation of Sichuan province (2022NSFSC1229).
  Part of the present work was performed in the frameworks of Universitat de Barcelona
  Nanoscience Ph.D. program and Universitat Autònoma de Barcelona Materials Science
  Ph.D. program. Y.L. acknowledges funding from the National Natural Science Foundation
  of China (Grant No. 22209034) and the Innovation and Entrepreneurship Project of
  Overseas Returnees in Anhui Province (Grants No. 2022LCX002). K.H.L. acknowledges
  the financial support of the National Natural Science Foundation of China (Grant
  No. 22208293).'
article_processing_charge: No
article_type: original
author:
- first_name: Congcong
  full_name: Xing, Congcong
  last_name: Xing
- first_name: Yu
  full_name: Zhang, Yu
  last_name: Zhang
- first_name: Ke
  full_name: Xiao, Ke
  last_name: Xiao
- first_name: Xu
  full_name: Han, Xu
  last_name: Han
- first_name: Yu
  full_name: Liu, Yu
  id: 2A70014E-F248-11E8-B48F-1D18A9856A87
  last_name: Liu
  orcid: 0000-0001-7313-6740
- first_name: Bingfei
  full_name: Nan, Bingfei
  last_name: 'Nan'
- first_name: Maria Garcia
  full_name: Ramon, Maria Garcia
  id: 1ffff7cd-ed76-11ed-8d5f-be5e7c364eb9
  last_name: Ramon
- first_name: Khak Ho
  full_name: Lim, Khak Ho
  last_name: Lim
- first_name: Junshan
  full_name: Li, Junshan
  last_name: Li
- first_name: Jordi
  full_name: Arbiol, Jordi
  last_name: Arbiol
- first_name: Bed
  full_name: Poudel, Bed
  last_name: Poudel
- first_name: Amin
  full_name: Nozariasbmarz, Amin
  last_name: Nozariasbmarz
- first_name: Wenjie
  full_name: Li, Wenjie
  last_name: Li
- first_name: Maria
  full_name: Ibáñez, Maria
  id: 43C61214-F248-11E8-B48F-1D18A9856A87
  last_name: Ibáñez
  orcid: 0000-0001-5013-2843
- first_name: Andreu
  full_name: Cabot, Andreu
  last_name: Cabot
citation:
  ama: Xing C, Zhang Y, Xiao K, et al. Thermoelectric performance of surface-engineered
    Cu1.5–xTe–Cu2Se nanocomposites. <i>ACS Nano</i>. 2023;17(9):8442-8452. doi:<a
    href="https://doi.org/10.1021/acsnano.3c00495">10.1021/acsnano.3c00495</a>
  apa: Xing, C., Zhang, Y., Xiao, K., Han, X., Liu, Y., Nan, B., … Cabot, A. (2023).
    Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites.
    <i>ACS Nano</i>. American Chemical Society. <a href="https://doi.org/10.1021/acsnano.3c00495">https://doi.org/10.1021/acsnano.3c00495</a>
  chicago: Xing, Congcong, Yu Zhang, Ke Xiao, Xu Han, Yu Liu, Bingfei Nan, Maria Garcia
    Ramon, et al. “Thermoelectric Performance of Surface-Engineered Cu1.5–XTe–Cu2Se
    Nanocomposites.” <i>ACS Nano</i>. American Chemical Society, 2023. <a href="https://doi.org/10.1021/acsnano.3c00495">https://doi.org/10.1021/acsnano.3c00495</a>.
  ieee: C. Xing <i>et al.</i>, “Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se
    nanocomposites,” <i>ACS Nano</i>, vol. 17, no. 9. American Chemical Society, pp.
    8442–8452, 2023.
  ista: Xing C, Zhang Y, Xiao K, Han X, Liu Y, Nan B, Ramon MG, Lim KH, Li J, Arbiol
    J, Poudel B, Nozariasbmarz A, Li W, Ibáñez M, Cabot A. 2023. Thermoelectric performance
    of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. ACS Nano. 17(9), 8442–8452.
  mla: Xing, Congcong, et al. “Thermoelectric Performance of Surface-Engineered Cu1.5–XTe–Cu2Se
    Nanocomposites.” <i>ACS Nano</i>, vol. 17, no. 9, American Chemical Society, 2023,
    pp. 8442–52, doi:<a href="https://doi.org/10.1021/acsnano.3c00495">10.1021/acsnano.3c00495</a>.
  short: C. Xing, Y. Zhang, K. Xiao, X. Han, Y. Liu, B. Nan, M.G. Ramon, K.H. Lim,
    J. Li, J. Arbiol, B. Poudel, A. Nozariasbmarz, W. Li, M. Ibáñez, A. Cabot, ACS
    Nano 17 (2023) 8442–8452.
date_created: 2023-05-07T22:01:04Z
date_published: 2023-05-09T00:00:00Z
date_updated: 2023-10-04T11:29:22Z
day: '09'
department:
- _id: MaIb
doi: 10.1021/acsnano.3c00495
external_id:
  isi:
  - '000976063200001'
  pmid:
  - '37071412'
intvolume: '        17'
isi: 1
issue: '9'
language:
- iso: eng
month: '05'
oa_version: None
page: 8442-8452
pmid: 1
publication: ACS Nano
publication_identifier:
  eissn:
  - 1936-086X
  issn:
  - 1936-0851
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 17
year: '2023'
...
---
_id: '12916'
abstract:
- lang: eng
  text: "We apply a variant of the square-sieve to produce an upper bound for the
    number of rational points of bounded height on a family of surfaces that admit
    a fibration over P1 whose general fibre is a hyperelliptic curve. The implied
    constant does not depend on the coefficients of the polynomial defining the surface.\r\n"
article_processing_charge: No
article_type: original
arxiv: 1
author:
- first_name: Dante
  full_name: Bonolis, Dante
  id: 6A459894-5FDD-11E9-AF35-BB24E6697425
  last_name: Bonolis
- first_name: Timothy D
  full_name: Browning, Timothy D
  id: 35827D50-F248-11E8-B48F-1D18A9856A87
  last_name: Browning
  orcid: 0000-0002-8314-0177
citation:
  ama: Bonolis D, Browning TD. Uniform bounds for rational points on hyperelliptic
    fibrations. <i>Annali della Scuola Normale Superiore di Pisa - Classe di Scienze</i>.
    2023;24(1):173-204. doi:<a href="https://doi.org/10.2422/2036-2145.202010_018">10.2422/2036-2145.202010_018</a>
  apa: Bonolis, D., &#38; Browning, T. D. (2023). Uniform bounds for rational points
    on hyperelliptic fibrations. <i>Annali Della Scuola Normale Superiore Di Pisa
    - Classe Di Scienze</i>. Scuola Normale Superiore - Edizioni della Normale. <a
    href="https://doi.org/10.2422/2036-2145.202010_018">https://doi.org/10.2422/2036-2145.202010_018</a>
  chicago: Bonolis, Dante, and Timothy D Browning. “Uniform Bounds for Rational Points
    on Hyperelliptic Fibrations.” <i>Annali Della Scuola Normale Superiore Di Pisa
    - Classe Di Scienze</i>. Scuola Normale Superiore - Edizioni della Normale, 2023.
    <a href="https://doi.org/10.2422/2036-2145.202010_018">https://doi.org/10.2422/2036-2145.202010_018</a>.
  ieee: D. Bonolis and T. D. Browning, “Uniform bounds for rational points on hyperelliptic
    fibrations,” <i>Annali della Scuola Normale Superiore di Pisa - Classe di Scienze</i>,
    vol. 24, no. 1. Scuola Normale Superiore - Edizioni della Normale, pp. 173–204,
    2023.
  ista: Bonolis D, Browning TD. 2023. Uniform bounds for rational points on hyperelliptic
    fibrations. Annali della Scuola Normale Superiore di Pisa - Classe di Scienze.
    24(1), 173–204.
  mla: Bonolis, Dante, and Timothy D. Browning. “Uniform Bounds for Rational Points
    on Hyperelliptic Fibrations.” <i>Annali Della Scuola Normale Superiore Di Pisa
    - Classe Di Scienze</i>, vol. 24, no. 1, Scuola Normale Superiore - Edizioni della
    Normale, 2023, pp. 173–204, doi:<a href="https://doi.org/10.2422/2036-2145.202010_018">10.2422/2036-2145.202010_018</a>.
  short: D. Bonolis, T.D. Browning, Annali Della Scuola Normale Superiore Di Pisa
    - Classe Di Scienze 24 (2023) 173–204.
date_created: 2023-05-07T22:01:04Z
date_published: 2023-02-16T00:00:00Z
date_updated: 2023-10-18T06:54:30Z
day: '16'
department:
- _id: TiBr
doi: 10.2422/2036-2145.202010_018
external_id:
  arxiv:
  - '2007.14182'
intvolume: '        24'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.48550/arXiv.2007.14182
month: '02'
oa: 1
oa_version: Preprint
page: 173-204
publication: Annali della Scuola Normale Superiore di Pisa - Classe di Scienze
publication_identifier:
  eissn:
  - 2036-2145
  issn:
  - 0391-173X
publication_status: published
publisher: Scuola Normale Superiore - Edizioni della Normale
quality_controlled: '1'
scopus_import: '1'
status: public
title: Uniform bounds for rational points on hyperelliptic fibrations
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 24
year: '2023'
...
---
_id: '12919'
abstract:
- lang: eng
  text: We report the visible light photocatalytic cleavage of trityl thioethers or
    ethers under pH-neutral conditions. The method results in the formation of the
    respective symmetrical disulfides and alcohols in moderate to excellent yield.
    The protocol only requires the addition of a suitable photocatalyst and light
    rendering it orthogonal to several functionalities, including acid labile protective
    groups. The same conditions can be used to directly convert trityl-protected thiols
    into unsymmetrical disulfides or selenosulfides, and to cleave trityl resins in
    solid phase organic synthesis.
article_processing_charge: No
article_type: original
author:
- first_name: Sho
  full_name: Murakami, Sho
  last_name: Murakami
- first_name: Cosima
  full_name: Brudy, Cosima
  last_name: Brudy
- first_name: Moritz
  full_name: Bachmann, Moritz
  last_name: Bachmann
- first_name: Yoshiji
  full_name: Takemoto, Yoshiji
  last_name: Takemoto
- first_name: Bartholomäus
  full_name: Pieber, Bartholomäus
  id: 93e5e5b2-0da6-11ed-8a41-af589a024726
  last_name: Pieber
  orcid: 0000-0001-8689-388X
citation:
  ama: Murakami S, Brudy C, Bachmann M, Takemoto Y, Pieber B. Photocatalytic cleavage
    of trityl protected thiols and alcohols. <i>Synthesis</i>. 2023;55(09):1367-1374.
    doi:<a href="https://doi.org/10.1055/a-1979-5933">10.1055/a-1979-5933</a>
  apa: Murakami, S., Brudy, C., Bachmann, M., Takemoto, Y., &#38; Pieber, B. (2023).
    Photocatalytic cleavage of trityl protected thiols and alcohols. <i>Synthesis</i>.
    Georg Thieme Verlag. <a href="https://doi.org/10.1055/a-1979-5933">https://doi.org/10.1055/a-1979-5933</a>
  chicago: Murakami, Sho, Cosima Brudy, Moritz Bachmann, Yoshiji Takemoto, and Bartholomäus
    Pieber. “Photocatalytic Cleavage of Trityl Protected Thiols and Alcohols.” <i>Synthesis</i>.
    Georg Thieme Verlag, 2023. <a href="https://doi.org/10.1055/a-1979-5933">https://doi.org/10.1055/a-1979-5933</a>.
  ieee: S. Murakami, C. Brudy, M. Bachmann, Y. Takemoto, and B. Pieber, “Photocatalytic
    cleavage of trityl protected thiols and alcohols,” <i>Synthesis</i>, vol. 55,
    no. 09. Georg Thieme Verlag, pp. 1367–1374, 2023.
  ista: Murakami S, Brudy C, Bachmann M, Takemoto Y, Pieber B. 2023. Photocatalytic
    cleavage of trityl protected thiols and alcohols. Synthesis. 55(09), 1367–1374.
  mla: Murakami, Sho, et al. “Photocatalytic Cleavage of Trityl Protected Thiols and
    Alcohols.” <i>Synthesis</i>, vol. 55, no. 09, Georg Thieme Verlag, 2023, pp. 1367–74,
    doi:<a href="https://doi.org/10.1055/a-1979-5933">10.1055/a-1979-5933</a>.
  short: S. Murakami, C. Brudy, M. Bachmann, Y. Takemoto, B. Pieber, Synthesis 55
    (2023) 1367–1374.
date_created: 2023-05-08T08:25:08Z
date_published: 2023-05-01T00:00:00Z
date_updated: 2023-05-15T08:43:50Z
day: '01'
doi: 10.1055/a-1979-5933
extern: '1'
intvolume: '        55'
issue: '09'
keyword:
- Organic Chemistry
- Catalysis
language:
- iso: eng
month: '05'
oa_version: None
page: 1367-1374
publication: Synthesis
publication_identifier:
  eissn:
  - 1437-210X
  issn:
  - 0039-7881
publication_status: published
publisher: Georg Thieme Verlag
quality_controlled: '1'
scopus_import: '1'
status: public
title: Photocatalytic cleavage of trityl protected thiols and alcohols
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 55
year: '2023'
...
---
_id: '12920'
abstract:
- lang: eng
  text: The multicomponent approach allows to incorporate several functionalities
    into a single covalent organic framework (COF) and consequently allows the construction
    of bifunctional materials for cooperative catalysis. The well-defined structure
    of such multicomponent COFs is furthermore ideally suited for structure-activity
    relationship studies. We report a series of multicomponent COFs that contain acridine-
    and 2,2’-bipyridine linkers connected through 1,3,5-benzenetrialdehyde derivatives.
    The acridine motif is responsible for broad light absorption, while the bipyridine
    unit enables complexation of nickel catalysts. These features enable the usage
    of the framework materials as catalysts for light-mediated carbon−heteroatom cross-couplings.
    Variation of the node units shows that the catalytic activity correlates to the
    keto-enamine tautomer isomerism. This allows switching between high charge-carrier
    mobility and persistent, localized charge-separated species depending on the nodes,
    a tool to tailor the materials for specific reactions. Moreover, nickel-loaded
    COFs are recyclable and catalyze cross-couplings even using red light irradiation.
article_number: e202202967
article_processing_charge: No
article_type: original
author:
- first_name: Michael
  full_name: Traxler, Michael
  last_name: Traxler
- first_name: Susanne
  full_name: Reischauer, Susanne
  last_name: Reischauer
- first_name: Sarah
  full_name: Vogl, Sarah
  last_name: Vogl
- first_name: Jérôme
  full_name: Roeser, Jérôme
  last_name: Roeser
- first_name: Jabor
  full_name: Rabeah, Jabor
  last_name: Rabeah
- first_name: Christopher
  full_name: Penschke, Christopher
  last_name: Penschke
- first_name: Peter
  full_name: Saalfrank, Peter
  last_name: Saalfrank
- first_name: Bartholomäus
  full_name: Pieber, Bartholomäus
  id: 93e5e5b2-0da6-11ed-8a41-af589a024726
  last_name: Pieber
  orcid: 0000-0001-8689-388X
- first_name: Arne
  full_name: Thomas, Arne
  last_name: Thomas
citation:
  ama: Traxler M, Reischauer S, Vogl S, et al. Programmable photocatalytic activity
    of multicomponent covalent organic frameworks used as metallaphotocatalysts. <i>Chemistry
    – A European Journal</i>. 2023;29(4). doi:<a href="https://doi.org/10.1002/chem.202202967">10.1002/chem.202202967</a>
  apa: Traxler, M., Reischauer, S., Vogl, S., Roeser, J., Rabeah, J., Penschke, C.,
    … Thomas, A. (2023). Programmable photocatalytic activity of multicomponent covalent
    organic frameworks used as metallaphotocatalysts. <i>Chemistry – A European Journal</i>.
    Wiley. <a href="https://doi.org/10.1002/chem.202202967">https://doi.org/10.1002/chem.202202967</a>
  chicago: Traxler, Michael, Susanne Reischauer, Sarah Vogl, Jérôme Roeser, Jabor
    Rabeah, Christopher Penschke, Peter Saalfrank, Bartholomäus Pieber, and Arne Thomas.
    “Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks
    Used as Metallaphotocatalysts.” <i>Chemistry – A European Journal</i>. Wiley,
    2023. <a href="https://doi.org/10.1002/chem.202202967">https://doi.org/10.1002/chem.202202967</a>.
  ieee: M. Traxler <i>et al.</i>, “Programmable photocatalytic activity of multicomponent
    covalent organic frameworks used as metallaphotocatalysts,” <i>Chemistry – A European
    Journal</i>, vol. 29, no. 4. Wiley, 2023.
  ista: Traxler M, Reischauer S, Vogl S, Roeser J, Rabeah J, Penschke C, Saalfrank
    P, Pieber B, Thomas A. 2023. Programmable photocatalytic activity of multicomponent
    covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European
    Journal. 29(4), e202202967.
  mla: Traxler, Michael, et al. “Programmable Photocatalytic Activity of Multicomponent
    Covalent Organic Frameworks Used as Metallaphotocatalysts.” <i>Chemistry – A European
    Journal</i>, vol. 29, no. 4, e202202967, Wiley, 2023, doi:<a href="https://doi.org/10.1002/chem.202202967">10.1002/chem.202202967</a>.
  short: M. Traxler, S. Reischauer, S. Vogl, J. Roeser, J. Rabeah, C. Penschke, P.
    Saalfrank, B. Pieber, A. Thomas, Chemistry – A European Journal 29 (2023).
date_created: 2023-05-08T08:25:34Z
date_published: 2023-01-18T00:00:00Z
date_updated: 2023-05-15T08:39:24Z
day: '18'
doi: 10.1002/chem.202202967
extern: '1'
intvolume: '        29'
issue: '4'
keyword:
- General Chemistry
- Catalysis
- Organic Chemistry
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1002/chem.202202967
month: '01'
oa: 1
oa_version: Published Version
publication: Chemistry – A European Journal
publication_identifier:
  eissn:
  - 1521-3765
  issn:
  - 0947-6539
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: Programmable photocatalytic activity of multicomponent covalent organic frameworks
  used as metallaphotocatalysts
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 29
year: '2023'
...
---
_id: '12921'
abstract:
- lang: eng
  text: Visible-light photocatalysis provides numerous useful methodologies for synthetic
    organic chemistry. However, the mechanisms of these reactions are often not fully
    understood. Common mechanistic experiments mainly aim to characterize excited
    state properties of photocatalysts and their interaction with other species. Recently,
    in situ reaction monitoring using dedicated techniques was shown to be well-suited
    for the identification of intermediates and to obtain kinetic insights, thereby
    providing more holistic pictures of the reactions of interest. This minireview
    surveys these technologies and discusses selected examples where reaction monitoring
    was used to elucidate the mechanism of photocatalytic reactions.
article_number: e202201583
article_processing_charge: No
article_type: original
author:
- first_name: Amiera
  full_name: Madani, Amiera
  last_name: Madani
- first_name: Bartholomäus
  full_name: Pieber, Bartholomäus
  id: 93e5e5b2-0da6-11ed-8a41-af589a024726
  last_name: Pieber
  orcid: 0000-0001-8689-388X
citation:
  ama: Madani A, Pieber B. In situ reaction monitoring in photocatalytic organic synthesis.
    <i>ChemCatChem</i>. 2023;15(7). doi:<a href="https://doi.org/10.1002/cctc.202201583">10.1002/cctc.202201583</a>
  apa: Madani, A., &#38; Pieber, B. (2023). In situ reaction monitoring in photocatalytic
    organic synthesis. <i>ChemCatChem</i>. Wiley. <a href="https://doi.org/10.1002/cctc.202201583">https://doi.org/10.1002/cctc.202201583</a>
  chicago: Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in
    Photocatalytic Organic Synthesis.” <i>ChemCatChem</i>. Wiley, 2023. <a href="https://doi.org/10.1002/cctc.202201583">https://doi.org/10.1002/cctc.202201583</a>.
  ieee: A. Madani and B. Pieber, “In situ reaction monitoring in photocatalytic organic
    synthesis,” <i>ChemCatChem</i>, vol. 15, no. 7. Wiley, 2023.
  ista: Madani A, Pieber B. 2023. In situ reaction monitoring in photocatalytic organic
    synthesis. ChemCatChem. 15(7), e202201583.
  mla: Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in Photocatalytic
    Organic Synthesis.” <i>ChemCatChem</i>, vol. 15, no. 7, e202201583, Wiley, 2023,
    doi:<a href="https://doi.org/10.1002/cctc.202201583">10.1002/cctc.202201583</a>.
  short: A. Madani, B. Pieber, ChemCatChem 15 (2023).
date_created: 2023-05-08T08:25:55Z
date_published: 2023-04-06T00:00:00Z
date_updated: 2023-05-15T08:35:48Z
day: '06'
doi: 10.1002/cctc.202201583
extern: '1'
intvolume: '        15'
issue: '7'
keyword:
- Inorganic Chemistry
- Organic Chemistry
- Physical and Theoretical Chemistry
- Catalysis
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1002/cctc.202201583
month: '04'
oa: 1
oa_version: Published Version
publication: ChemCatChem
publication_identifier:
  eissn:
  - 1867-3899
  issn:
  - 1867-3880
publication_status: published
publisher: Wiley
quality_controlled: '1'
scopus_import: '1'
status: public
title: In situ reaction monitoring in photocatalytic organic synthesis
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 15
year: '2023'
...
---
_id: '12922'
abstract:
- lang: eng
  text: The influence of structural modifications on the catalytic activity of carbon
    materials is poorly understood. A collection of carbonaceous materials with different
    pore networks and high nitrogen content was characterized and used to catalyze
    four reactions to deduce structure–activity relationships. The CO2 cycloaddition
    and Knoevenagel reaction depend on Lewis basic sites (electron-rich nitrogen species).
    The absence of large conjugated carbon domains resulting from the introduction
    of large amounts of nitrogen in the carbon network is responsible for poor redox
    activity, as observed through the catalytic reduction of nitrobenzene with hydrazine
    and the catalytic oxidation of 3,3′,5,5′-tetramethylbenzidine using hydroperoxide.
    The material with the highest activity towards Lewis acid catalysis (in the hydrolysis
    of (dimethoxymethyl)benzene to benzaldehyde) is the most effective for small molecule
    activation and presents the highest concentration of electron-poor nitrogen species.
article_number: e202211663
article_processing_charge: No
article_type: original
author:
- first_name: Enrico
  full_name: Lepre, Enrico
  last_name: Lepre
- first_name: Sylvain
  full_name: Rat, Sylvain
  last_name: Rat
- first_name: Cristian
  full_name: Cavedon, Cristian
  last_name: Cavedon
- first_name: Peter H.
  full_name: Seeberger, Peter H.
  last_name: Seeberger
- first_name: Bartholomäus
  full_name: Pieber, Bartholomäus
  id: 93e5e5b2-0da6-11ed-8a41-af589a024726
  last_name: Pieber
  orcid: 0000-0001-8689-388X
- first_name: Markus
  full_name: Antonietti, Markus
  last_name: Antonietti
- first_name: Nieves
  full_name: López‐Salas, Nieves
  last_name: López‐Salas
citation:
  ama: Lepre E, Rat S, Cavedon C, et al. Catalytic properties of high nitrogen content
    carbonaceous materials. <i>Angewandte Chemie International Edition</i>. 2023;62(2).
    doi:<a href="https://doi.org/10.1002/anie.202211663">10.1002/anie.202211663</a>
  apa: Lepre, E., Rat, S., Cavedon, C., Seeberger, P. H., Pieber, B., Antonietti,
    M., &#38; López‐Salas, N. (2023). Catalytic properties of high nitrogen content
    carbonaceous materials. <i>Angewandte Chemie International Edition</i>. Wiley.
    <a href="https://doi.org/10.1002/anie.202211663">https://doi.org/10.1002/anie.202211663</a>
  chicago: Lepre, Enrico, Sylvain Rat, Cristian Cavedon, Peter H. Seeberger, Bartholomäus
    Pieber, Markus Antonietti, and Nieves López‐Salas. “Catalytic Properties of High
    Nitrogen Content Carbonaceous Materials.” <i>Angewandte Chemie International Edition</i>.
    Wiley, 2023. <a href="https://doi.org/10.1002/anie.202211663">https://doi.org/10.1002/anie.202211663</a>.
  ieee: E. Lepre <i>et al.</i>, “Catalytic properties of high nitrogen content carbonaceous
    materials,” <i>Angewandte Chemie International Edition</i>, vol. 62, no. 2. Wiley,
    2023.
  ista: Lepre E, Rat S, Cavedon C, Seeberger PH, Pieber B, Antonietti M, López‐Salas
    N. 2023. Catalytic properties of high nitrogen content carbonaceous materials.
    Angewandte Chemie International Edition. 62(2), e202211663.
  mla: Lepre, Enrico, et al. “Catalytic Properties of High Nitrogen Content Carbonaceous
    Materials.” <i>Angewandte Chemie International Edition</i>, vol. 62, no. 2, e202211663,
    Wiley, 2023, doi:<a href="https://doi.org/10.1002/anie.202211663">10.1002/anie.202211663</a>.
  short: E. Lepre, S. Rat, C. Cavedon, P.H. Seeberger, B. Pieber, M. Antonietti, N.
    López‐Salas, Angewandte Chemie International Edition 62 (2023).
date_created: 2023-05-08T08:28:14Z
date_published: 2023-01-09T00:00:00Z
date_updated: 2023-08-21T09:18:12Z
day: '09'
doi: 10.1002/anie.202211663
extern: '1'
intvolume: '        62'
issue: '2'
keyword:
- General Chemistry
- Catalysis
language:
- iso: eng
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publication: Angewandte Chemie International Edition
publication_identifier:
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  issn:
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publication_status: published
publisher: Wiley
quality_controlled: '1'
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title: Catalytic properties of high nitrogen content carbonaceous materials
type: journal_article
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---
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  text: Datasets of the publication "Sex-specific estimation of cis and trans regulation
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    Institute of Science and Technology Austria, 2023, doi:<a href="https://doi.org/10.15479/AT:ISTA:12933">10.15479/AT:ISTA:12933</a>.'
  short: G. Puixeu Sala, (2023).
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date_updated: 2023-12-13T12:15:36Z
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- _id: NiBa
- _id: BeVi
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  text: "basic data for use in code for experimental data analysis for manuscript
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    hygiene in ants\r\nCasillas-Pérez B, Boďová K, Grasse AV, Tkačik G, Cremer S"
acknowledged_ssus:
- _id: LifeSc
acknowledgement: This project has received funding from the European Research Council
  (ERC) under the European Union’s Horizon 2020 research and innovation programme
  (Grant No. 771402; EPIDEMICSonCHIP) to SC, from the Scientific Grant Agency of the
  Slovak Republic (Grant No. 1/0521/20) to KB, and the Human Frontier Science Program
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  full_name: Cremer, Sylvia
  id: 2F64EC8C-F248-11E8-B48F-1D18A9856A87
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    <a href="https://doi.org/10.15479/AT:ISTA:12945">https://doi.org/10.15479/AT:ISTA:12945</a>'
  chicago: 'Cremer, Sylvia. “Data from: ‘Dynamic Pathogen Detection and Social Feedback
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    2023. <a href="https://doi.org/10.15479/AT:ISTA:12945">https://doi.org/10.15479/AT:ISTA:12945</a>.'
  ieee: 'S. Cremer, “Data from: ‘Dynamic pathogen detection and social feedback shape
    collective hygiene in ants’ .” Institute of Science and Technology Austria, 2023.'
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    <a href="https://doi.org/10.15479/AT:ISTA:12945">10.15479/AT:ISTA:12945</a>.'
  mla: 'Cremer, Sylvia. <i>Data from: “Dynamic Pathogen Detection and Social Feedback
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    2023, doi:<a href="https://doi.org/10.15479/AT:ISTA:12945">10.15479/AT:ISTA:12945</a>.'
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  last_name: Bodova
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  first_name: Gašper
  id: 3D494DCA-F248-11E8-B48F-1D18A9856A87
  last_name: Tkačik
  orcid: 0000-0002-6699-1455
date_created: 2023-05-11T21:35:17Z
date_published: 2023-05-12T00:00:00Z
date_updated: 2023-08-07T13:09:09Z
day: '12'
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has_accepted_license: '1'
keyword:
- collective behavior
- host-pathogen interactions
- social immunity
- epidemiology
- social insects
- probabilistic modeling
month: '05'
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