---
_id: '45741'
author:
- first_name: B.
full_name: Alberternst, B.
last_name: Alberternst
- first_name: Lena
full_name: Steinhoff, Lena
id: '4336'
last_name: Steinhoff
- first_name: A.
full_name: Eggert, A.
last_name: Eggert
- first_name: M.
full_name: Giesler, M.
last_name: Giesler
citation:
ama: 'Alberternst B, Steinhoff L, Eggert A, Giesler M. Consumer Solidarity: A Social-System
Perspective on the Glue that Holds Society Together. In: 2021 AMA Winter Academic
Conference Proceedings, St. Petersburg. ; 2021.'
apa: 'Alberternst, B., Steinhoff, L., Eggert, A., & Giesler, M. (2021). Consumer
Solidarity: A Social-System Perspective on the Glue that Holds Society Together.
2021 AMA Winter Academic Conference Proceedings, St. Petersburg. 2021 AMA
Winter Marketing Educators’ Conference Proceedings, St. Petersburg.'
bibtex: '@inproceedings{Alberternst_Steinhoff_Eggert_Giesler_2021, title={Consumer
Solidarity: A Social-System Perspective on the Glue that Holds Society Together},
booktitle={2021 AMA Winter Academic Conference Proceedings, St. Petersburg}, author={Alberternst,
B. and Steinhoff, Lena and Eggert, A. and Giesler, M.}, year={2021} }'
chicago: 'Alberternst, B., Lena Steinhoff, A. Eggert, and M. Giesler. “Consumer
Solidarity: A Social-System Perspective on the Glue That Holds Society Together.”
In 2021 AMA Winter Academic Conference Proceedings, St. Petersburg, 2021.'
ieee: 'B. Alberternst, L. Steinhoff, A. Eggert, and M. Giesler, “Consumer Solidarity:
A Social-System Perspective on the Glue that Holds Society Together,” presented
at the 2021 AMA Winter Marketing Educators’ Conference Proceedings, St. Petersburg,
2021.'
mla: 'Alberternst, B., et al. “Consumer Solidarity: A Social-System Perspective
on the Glue That Holds Society Together.” 2021 AMA Winter Academic Conference
Proceedings, St. Petersburg, 2021.'
short: 'B. Alberternst, L. Steinhoff, A. Eggert, M. Giesler, in: 2021 AMA Winter
Academic Conference Proceedings, St. Petersburg, 2021.'
conference:
location: St. Petersburg
name: 2021 AMA Winter Marketing Educators’ Conference Proceedings
date_created: 2023-06-22T16:57:43Z
date_updated: 2026-01-13T09:31:26Z
department:
- _id: '733'
language:
- iso: eng
publication: 2021 AMA Winter Academic Conference Proceedings, St. Petersburg
publication_status: published
status: public
title: 'Consumer Solidarity: A Social-System Perspective on the Glue that Holds Society
Together'
type: conference
user_id: '102525'
year: '2021'
...
---
_id: '43493'
abstract:
- lang: eng
text: We consider a measure given as the continuum limit of a one-dimensional Ising
model with long-range translationally invariant interactions. Mathematically,
the measure can be described by a self-interacting Poisson driven jump process.
We prove a correlation inequality, estimating the magnetic susceptibility of this
model, which holds for small norm of the interaction function. The bound on the
magnetic susceptibility has applications in quantum field theory and can be used
to prove existence of ground states for the spin boson model.
article_type: original
author:
- first_name: David
full_name: Hasler, David
last_name: Hasler
- first_name: Benjamin
full_name: Hinrichs, Benjamin
id: '99427'
last_name: Hinrichs
orcid: 0000-0001-9074-1205
- first_name: Oliver
full_name: Siebert, Oliver
last_name: Siebert
citation:
ama: Hasler D, Hinrichs B, Siebert O. Correlation bound for a one-dimensional continuous
long-range Ising model. Stochastic Processes and their Applications. 2021;146:60-79.
doi:10.1016/j.spa.2021.12.010
apa: Hasler, D., Hinrichs, B., & Siebert, O. (2021). Correlation bound for a
one-dimensional continuous long-range Ising model. Stochastic Processes and
Their Applications, 146, 60–79. https://doi.org/10.1016/j.spa.2021.12.010
bibtex: '@article{Hasler_Hinrichs_Siebert_2021, title={Correlation bound for a one-dimensional
continuous long-range Ising model}, volume={146}, DOI={10.1016/j.spa.2021.12.010},
journal={Stochastic Processes and their Applications}, publisher={Elsevier BV},
author={Hasler, David and Hinrichs, Benjamin and Siebert, Oliver}, year={2021},
pages={60–79} }'
chicago: 'Hasler, David, Benjamin Hinrichs, and Oliver Siebert. “Correlation Bound
for a One-Dimensional Continuous Long-Range Ising Model.” Stochastic Processes
and Their Applications 146 (2021): 60–79. https://doi.org/10.1016/j.spa.2021.12.010.'
ieee: 'D. Hasler, B. Hinrichs, and O. Siebert, “Correlation bound for a one-dimensional
continuous long-range Ising model,” Stochastic Processes and their Applications,
vol. 146, pp. 60–79, 2021, doi: 10.1016/j.spa.2021.12.010.'
mla: Hasler, David, et al. “Correlation Bound for a One-Dimensional Continuous Long-Range
Ising Model.” Stochastic Processes and Their Applications, vol. 146, Elsevier
BV, 2021, pp. 60–79, doi:10.1016/j.spa.2021.12.010.
short: D. Hasler, B. Hinrichs, O. Siebert, Stochastic Processes and Their Applications
146 (2021) 60–79.
date_created: 2023-04-14T04:50:01Z
date_updated: 2026-01-16T09:03:28Z
doi: 10.1016/j.spa.2021.12.010
extern: '1'
external_id:
arxiv:
- '2104.03013 '
intvolume: ' 146'
language:
- iso: eng
main_file_link:
- open_access: '1'
oa: '1'
page: 60-79
publication: Stochastic Processes and their Applications
publication_identifier:
issn:
- 0304-4149
publication_status: published
publisher: Elsevier BV
status: public
title: Correlation bound for a one-dimensional continuous long-range Ising model
type: journal_article
user_id: '99427'
volume: 146
year: '2021'
...
---
_id: '43465'
abstract:
- lang: eng
text: We show the existence of ground states in the massless spin boson model without
any infrared regularization. Our proof is non-perturbative and relies on a compactness
argument. It works for arbitrary values of the coupling constant under the hypothesis
that the second derivative of the ground state energy as a function of a constant
external magnetic field is bounded.
article_type: original
author:
- first_name: David
full_name: Hasler, David
last_name: Hasler
- first_name: Benjamin
full_name: Hinrichs, Benjamin
id: '99427'
last_name: Hinrichs
orcid: 0000-0001-9074-1205
- first_name: Oliver
full_name: Siebert, Oliver
last_name: Siebert
citation:
ama: Hasler D, Hinrichs B, Siebert O. On Existence of Ground States in the Spin
Boson Model. Communications in Mathematical Physics. 2021;388(1):419-433.
doi:10.1007/s00220-021-04185-w
apa: Hasler, D., Hinrichs, B., & Siebert, O. (2021). On Existence of Ground
States in the Spin Boson Model. Communications in Mathematical Physics,
388(1), 419–433. https://doi.org/10.1007/s00220-021-04185-w
bibtex: '@article{Hasler_Hinrichs_Siebert_2021, title={On Existence of Ground States
in the Spin Boson Model}, volume={388}, DOI={10.1007/s00220-021-04185-w},
number={1}, journal={Communications in Mathematical Physics}, publisher={Springer
Science and Business Media LLC}, author={Hasler, David and Hinrichs, Benjamin
and Siebert, Oliver}, year={2021}, pages={419–433} }'
chicago: 'Hasler, David, Benjamin Hinrichs, and Oliver Siebert. “On Existence of
Ground States in the Spin Boson Model.” Communications in Mathematical Physics
388, no. 1 (2021): 419–33. https://doi.org/10.1007/s00220-021-04185-w.'
ieee: 'D. Hasler, B. Hinrichs, and O. Siebert, “On Existence of Ground States in
the Spin Boson Model,” Communications in Mathematical Physics, vol. 388,
no. 1, pp. 419–433, 2021, doi: 10.1007/s00220-021-04185-w.'
mla: Hasler, David, et al. “On Existence of Ground States in the Spin Boson Model.”
Communications in Mathematical Physics, vol. 388, no. 1, Springer Science
and Business Media LLC, 2021, pp. 419–33, doi:10.1007/s00220-021-04185-w.
short: D. Hasler, B. Hinrichs, O. Siebert, Communications in Mathematical Physics
388 (2021) 419–433.
date_created: 2023-04-13T18:07:22Z
date_updated: 2026-01-16T09:02:44Z
doi: 10.1007/s00220-021-04185-w
extern: '1'
external_id:
arxiv:
- '2102.13373'
intvolume: ' 388'
issue: '1'
language:
- iso: eng
main_file_link:
- open_access: '1'
oa: '1'
page: 419-433
publication: Communications in Mathematical Physics
publication_identifier:
issn:
- 0010-3616
- 1432-0916
publication_status: published
publisher: Springer Science and Business Media LLC
status: public
title: On Existence of Ground States in the Spin Boson Model
type: journal_article
user_id: '99427'
volume: 388
year: '2021'
...
---
_id: '26077'
abstract:
- lang: eng
text: Nonlinear SU(1,1) interferometers are fruitful and promising tools
for spectral engineering and precise measurements with phase sensitivity below
the classical bound. Such interferometers have been successfully realized in bulk
and fiber-based configurations. However, rapidly developing integrated technologies
provide higher efficiencies, smaller footprints, and pave the way to quantum-enhanced
on-chip interferometry. In this work, we theoretically realised an integrated
architecture of the multimode SU(1,1) interferometer which can be applied to various
integrated platforms. The presented interferometer includes a polarization converter
between two photon sources and utilizes a continuous-wave (CW) pump. Based on
the potassium titanyl phosphate (KTP) platform, we show that this configuration
results in almost perfect destructive interference at the output and supersensitivity
regions below the classical limit. In addition, we discuss the fundamental difference
between single-mode and highly multimode SU(1,1) interferometers in the properties
of phase sensitivity and its limits. Finally, we explore how to improve the phase
sensitivity by filtering the output radiation and using different seeding states
in different modes with various detection strategies.
article_number: '461'
author:
- first_name: Alessandro
full_name: Ferreri, Alessandro
id: '65609'
last_name: Ferreri
- first_name: Matteo
full_name: Santandrea, Matteo
id: '55095'
last_name: Santandrea
orcid: 0000-0001-5718-358X
- first_name: Michael
full_name: Stefszky, Michael
id: '42777'
last_name: Stefszky
- first_name: Kai Hong
full_name: Luo, Kai Hong
id: '36389'
last_name: Luo
orcid: 0000-0003-1008-4976
- first_name: Harald
full_name: Herrmann, Harald
id: '216'
last_name: Herrmann
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
- first_name: Polina R.
full_name: Sharapova, Polina R.
id: '60286'
last_name: Sharapova
citation:
ama: Ferreri A, Santandrea M, Stefszky M, et al. Spectrally multimode integrated
SU(1,1) interferometer. Quantum. Published online 2021. doi:10.22331/q-2021-05-27-461
apa: Ferreri, A., Santandrea, M., Stefszky, M., Luo, K. H., Herrmann, H., Silberhorn,
C., & Sharapova, P. R. (2021). Spectrally multimode integrated SU(1,1) interferometer.
Quantum, Article 461. https://doi.org/10.22331/q-2021-05-27-461
bibtex: '@article{Ferreri_Santandrea_Stefszky_Luo_Herrmann_Silberhorn_Sharapova_2021,
title={Spectrally multimode integrated SU(1,1) interferometer}, DOI={10.22331/q-2021-05-27-461},
number={461}, journal={Quantum}, author={Ferreri, Alessandro and Santandrea, Matteo
and Stefszky, Michael and Luo, Kai Hong and Herrmann, Harald and Silberhorn, Christine
and Sharapova, Polina R.}, year={2021} }'
chicago: Ferreri, Alessandro, Matteo Santandrea, Michael Stefszky, Kai Hong Luo,
Harald Herrmann, Christine Silberhorn, and Polina R. Sharapova. “Spectrally Multimode
Integrated SU(1,1) Interferometer.” Quantum, 2021. https://doi.org/10.22331/q-2021-05-27-461.
ieee: 'A. Ferreri et al., “Spectrally multimode integrated SU(1,1) interferometer,”
Quantum, Art. no. 461, 2021, doi: 10.22331/q-2021-05-27-461.'
mla: Ferreri, Alessandro, et al. “Spectrally Multimode Integrated SU(1,1) Interferometer.”
Quantum, 461, 2021, doi:10.22331/q-2021-05-27-461.
short: A. Ferreri, M. Santandrea, M. Stefszky, K.H. Luo, H. Herrmann, C. Silberhorn,
P.R. Sharapova, Quantum (2021).
date_created: 2021-10-12T08:46:46Z
date_updated: 2026-01-16T10:22:10Z
department:
- _id: '15'
- _id: '288'
doi: 10.22331/q-2021-05-27-461
language:
- iso: eng
project:
- _id: '56'
name: 'TRR 142 - C: TRR 142 - Project Area C'
publication: Quantum
publication_identifier:
issn:
- 2521-327X
publication_status: published
status: public
title: Spectrally multimode integrated SU(1,1) interferometer
type: journal_article
user_id: '42777'
year: '2021'
...
---
_id: '39027'
abstract:
- lang: eng
text: We experimentally investigate the generation of continuous-wave optical squeezing
from a titanium-indiffused lithium niobate waveguide resonator at low and high
frequencies. The device promises integration with different platform chips for
more complex optical systems.
author:
- first_name: Renato R.
full_name: Domeneguetti, Renato R.
last_name: Domeneguetti
- first_name: Hauke
full_name: Conradi, Hauke
last_name: Conradi
- first_name: Moritz
full_name: Kleinert, Moritz
last_name: Kleinert
- first_name: Christian
full_name: Kießler, Christian
id: '44252'
last_name: Kießler
- first_name: Michael
full_name: Stefszky, Michael
id: '42777'
last_name: Stefszky
- first_name: Harald
full_name: Herrmann, Harald
id: '216'
last_name: Herrmann
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
- first_name: Ulrik L.
full_name: Andersen, Ulrik L.
last_name: Andersen
- first_name: Jonas Schou
full_name: Neergaard-Nielsen, Jonas Schou
last_name: Neergaard-Nielsen
- first_name: Tobias
full_name: Gehring, Tobias
last_name: Gehring
citation:
ama: 'Domeneguetti RR, Conradi H, Kleinert M, et al. Nonlinear waveguides for integrated
quantum light source. In: 2021 Conference on Lasers and Electro-Optics Europe
and European Quantum Electronics Conference. Optica Publishing Group; 2021:eb_4_1.'
apa: Domeneguetti, R. R., Conradi, H., Kleinert, M., Kießler, C., Stefszky, M.,
Herrmann, H., Silberhorn, C., Andersen, U. L., Neergaard-Nielsen, J. S., &
Gehring, T. (2021). Nonlinear waveguides for integrated quantum light source.
2021 Conference on Lasers and Electro-Optics Europe and European Quantum Electronics
Conference, eb_4_1.
bibtex: '@inproceedings{Domeneguetti_Conradi_Kleinert_Kießler_Stefszky_Herrmann_Silberhorn_Andersen_Neergaard-Nielsen_Gehring_2021,
title={Nonlinear waveguides for integrated quantum light source}, booktitle={2021
Conference on Lasers and Electro-Optics Europe and European Quantum Electronics
Conference}, publisher={Optica Publishing Group}, author={Domeneguetti, Renato
R. and Conradi, Hauke and Kleinert, Moritz and Kießler, Christian and Stefszky,
Michael and Herrmann, Harald and Silberhorn, Christine and Andersen, Ulrik L.
and Neergaard-Nielsen, Jonas Schou and Gehring, Tobias}, year={2021}, pages={eb_4_1}
}'
chicago: Domeneguetti, Renato R., Hauke Conradi, Moritz Kleinert, Christian Kießler,
Michael Stefszky, Harald Herrmann, Christine Silberhorn, Ulrik L. Andersen, Jonas
Schou Neergaard-Nielsen, and Tobias Gehring. “Nonlinear Waveguides for Integrated
Quantum Light Source.” In 2021 Conference on Lasers and Electro-Optics Europe
and European Quantum Electronics Conference, eb_4_1. Optica Publishing Group,
2021.
ieee: R. R. Domeneguetti et al., “Nonlinear waveguides for integrated quantum
light source,” in 2021 Conference on Lasers and Electro-Optics Europe and European
Quantum Electronics Conference, 2021, p. eb_4_1.
mla: Domeneguetti, Renato R., et al. “Nonlinear Waveguides for Integrated Quantum
Light Source.” 2021 Conference on Lasers and Electro-Optics Europe and European
Quantum Electronics Conference, Optica Publishing Group, 2021, p. eb_4_1.
short: 'R.R. Domeneguetti, H. Conradi, M. Kleinert, C. Kießler, M. Stefszky, H.
Herrmann, C. Silberhorn, U.L. Andersen, J.S. Neergaard-Nielsen, T. Gehring, in:
2021 Conference on Lasers and Electro-Optics Europe and European Quantum Electronics
Conference, Optica Publishing Group, 2021, p. eb_4_1.'
date_created: 2023-01-24T08:06:33Z
date_updated: 2026-01-16T10:21:27Z
department:
- _id: '15'
- _id: '288'
keyword:
- Optical systems
- Polymer waveguides
- Quantum key distribution
- Quantum light sources
- Squeezed states
- Waveguides
language:
- iso: eng
page: eb_4_1
publication: 2021 Conference on Lasers and Electro-Optics Europe and European Quantum
Electronics Conference
publisher: Optica Publishing Group
status: public
title: Nonlinear waveguides for integrated quantum light source
type: conference
user_id: '42777'
year: '2021'
...
---
_id: '26218'
article_number: '085803'
author:
- first_name: Matteo
full_name: Santandrea, Matteo
id: '55095'
last_name: Santandrea
orcid: 0000-0001-5718-358X
- first_name: Michael
full_name: Stefszky, Michael
id: '42777'
last_name: Stefszky
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
citation:
ama: Santandrea M, Stefszky M, Silberhorn C. General analytic theory of classical
collinear three-wave mixing in a monolithic cavity. Journal of Optics.
Published online 2021. doi:10.1088/2040-8986/ac0b90
apa: Santandrea, M., Stefszky, M., & Silberhorn, C. (2021). General analytic
theory of classical collinear three-wave mixing in a monolithic cavity. Journal
of Optics, Article 085803. https://doi.org/10.1088/2040-8986/ac0b90
bibtex: '@article{Santandrea_Stefszky_Silberhorn_2021, title={General analytic theory
of classical collinear three-wave mixing in a monolithic cavity}, DOI={10.1088/2040-8986/ac0b90},
number={085803}, journal={Journal of Optics}, author={Santandrea, Matteo and Stefszky,
Michael and Silberhorn, Christine}, year={2021} }'
chicago: Santandrea, Matteo, Michael Stefszky, and Christine Silberhorn. “General
Analytic Theory of Classical Collinear Three-Wave Mixing in a Monolithic Cavity.”
Journal of Optics, 2021. https://doi.org/10.1088/2040-8986/ac0b90.
ieee: 'M. Santandrea, M. Stefszky, and C. Silberhorn, “General analytic theory of
classical collinear three-wave mixing in a monolithic cavity,” Journal of Optics,
Art. no. 085803, 2021, doi: 10.1088/2040-8986/ac0b90.'
mla: Santandrea, Matteo, et al. “General Analytic Theory of Classical Collinear
Three-Wave Mixing in a Monolithic Cavity.” Journal of Optics, 085803, 2021,
doi:10.1088/2040-8986/ac0b90.
short: M. Santandrea, M. Stefszky, C. Silberhorn, Journal of Optics (2021).
date_created: 2021-10-15T09:21:54Z
date_updated: 2026-01-16T10:20:48Z
department:
- _id: '288'
- _id: '15'
doi: 10.1088/2040-8986/ac0b90
language:
- iso: eng
publication: Journal of Optics
publication_identifier:
issn:
- 2040-8978
- 2040-8986
publication_status: published
status: public
title: General analytic theory of classical collinear three-wave mixing in a monolithic
cavity
type: journal_article
user_id: '42777'
year: '2021'
...
---
_id: '24159'
abstract:
- lang: eng
text: "The online fitting of a microscopic traffic simulation model to reconstruct
the current state of a real traffic\r\narea can be challenging depending on the
provided data. This paper presents a novel method based on limited\r\ndata from
sensors positioned at specific locations and guarantees a general accordance of
reality and\r\nsimulation in terms of multimodal road traffic counts and vehicle
speeds. In these considerations, the actual\r\npurpose of research is of particular
importance. Here, the research aims at improving the traffic flow by\r\ncontrolling
the Traffic Light Systems (TLS) of the examined area which is why the current
traffic state and\r\nthe route choices of individual road users are the matter
of interest. An integer optimization problem is derived\r\nto fit the current
simulation to the latest field measurements. The concept can be transferred to
any road traffic\r\nnetwork and results in an observation of the current multimodal
traffic state matching at the given sensor\r\nposition. First case studies show
promosing results in terms of deviations between reality and simulation."
author:
- first_name: Kevin
full_name: Malena, Kevin
id: '36303'
last_name: Malena
orcid: 0000-0003-1183-4679
- first_name: Christopher
full_name: Link, Christopher
id: '38249'
last_name: Link
- first_name: Sven
full_name: Mertin, Sven
id: '13195'
last_name: Mertin
- first_name: Sandra
full_name: Gausemeier, Sandra
id: '17793'
last_name: Gausemeier
- first_name: Ansgar
full_name: Trächtler, Ansgar
id: '552'
last_name: Trächtler
citation:
ama: 'Malena K, Link C, Mertin S, Gausemeier S, Trächtler A. Online State Estimation
for Microscopic Traffic Simulations using Multiple Data Sources*. In: VEHITS
2021 Proceedings of the 7th International Conference on Vehicle Technology and
Intelligent Transport Systems. Vol 7. VEHITS 2021 Proceedings of the 7th International
Conference on Vehicle Technology and Intelligent Transport Systems. SCITEPRESS;
2021:386-395.'
apa: Malena, K., Link, C., Mertin, S., Gausemeier, S., & Trächtler, A. (2021).
Online State Estimation for Microscopic Traffic Simulations using Multiple Data
Sources*. VEHITS 2021 Proceedings of the 7th International Conference on Vehicle
Technology and Intelligent Transport Systems, 7, 386–395.
bibtex: '@inproceedings{Malena_Link_Mertin_Gausemeier_Trächtler_2021, place={Portugal},
series={VEHITS 2021 Proceedings of the 7th International Conference on Vehicle
Technology and Intelligent Transport Systems}, title={Online State Estimation
for Microscopic Traffic Simulations using Multiple Data Sources*}, volume={7},
booktitle={VEHITS 2021 Proceedings of the 7th International Conference on Vehicle
Technology and Intelligent Transport Systems}, publisher={SCITEPRESS}, author={Malena,
Kevin and Link, Christopher and Mertin, Sven and Gausemeier, Sandra and Trächtler,
Ansgar}, year={2021}, pages={386–395}, collection={VEHITS 2021 Proceedings of
the 7th International Conference on Vehicle Technology and Intelligent Transport
Systems} }'
chicago: 'Malena, Kevin, Christopher Link, Sven Mertin, Sandra Gausemeier, and Ansgar
Trächtler. “Online State Estimation for Microscopic Traffic Simulations Using
Multiple Data Sources*.” In VEHITS 2021 Proceedings of the 7th International
Conference on Vehicle Technology and Intelligent Transport Systems, 7:386–95.
VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology
and Intelligent Transport Systems. Portugal: SCITEPRESS, 2021.'
ieee: K. Malena, C. Link, S. Mertin, S. Gausemeier, and A. Trächtler, “Online State
Estimation for Microscopic Traffic Simulations using Multiple Data Sources*,”
in VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology
and Intelligent Transport Systems, Online Streaming, 2021, vol. 7, pp. 386–395.
mla: Malena, Kevin, et al. “Online State Estimation for Microscopic Traffic Simulations
Using Multiple Data Sources*.” VEHITS 2021 Proceedings of the 7th International
Conference on Vehicle Technology and Intelligent Transport Systems, vol. 7,
SCITEPRESS, 2021, pp. 386–95.
short: 'K. Malena, C. Link, S. Mertin, S. Gausemeier, A. Trächtler, in: VEHITS 2021
Proceedings of the 7th International Conference on Vehicle Technology and Intelligent
Transport Systems, SCITEPRESS, Portugal, 2021, pp. 386–395.'
conference:
end_date: 2021-04-30
location: Online Streaming
name: 7th International Conference on Vehicle Technology and Intelligent Transport
Systems
start_date: 2021-04-28
date_created: 2021-09-10T12:19:14Z
date_updated: 2026-01-26T08:49:53Z
department:
- _id: '153'
intvolume: ' 7'
keyword:
- Microscopic Traffic Simulation
- Online State Estimation
- Mixed Road Users
- Sensor Fusion
- Integer Programming
- Route Choice
- Vehicle2Infrastructure
language:
- iso: eng
main_file_link:
- url: https://www.scitepress.org/PublicationsDetail.aspx?ID=3xZWfOSENWk=&t=1
page: 386-395
place: Portugal
project:
- _id: '688'
name: Pilotprojekt "Schlosskreuzung"
publication: VEHITS 2021 Proceedings of the 7th International Conference on Vehicle
Technology and Intelligent Transport Systems
publication_identifier:
isbn:
- 978-989-758-513-5
publication_status: published
publisher: SCITEPRESS
quality_controlled: '1'
related_material:
link:
- relation: confirmation
url: https://www.scitepress.org/PublicationsDetail.aspx?ID=3xZWfOSENWk=&t=1
record:
- id: '33849'
relation: is_continued_by
status: public
series_title: VEHITS 2021 Proceedings of the 7th International Conference on Vehicle
Technology and Intelligent Transport Systems
status: public
title: Online State Estimation for Microscopic Traffic Simulations using Multiple
Data Sources*
type: conference
user_id: '36303'
volume: 7
year: '2021'
...
---
_id: '24166'
abstract:
- lang: eng
text: This paper deals with a novel method for the online fitting of a microscopic
traffic simulation model to the current state of a real world traffic area. The
traffic state estimation is based on limited data of different measurement sources
and guarantees general accordance of reality and simulation in terms of multimodal
road traffic counts and vehicle speeds. The research is embedded in the challenge
of improving the traffic by controlling the traffic light systems (TLS) of the
examined area. Therefore, the current traffic state and the predicted route choices
of individual road users are the matter of interest. The concept is generally
transferable to any road traffic system. To give an impression of the accuracy
and potential of the approach, the validation and first application results are
presented.
author:
- first_name: Kevin
full_name: Malena, Kevin
id: '36303'
last_name: Malena
orcid: 0000-0003-1183-4679
- first_name: Christopher
full_name: Link, Christopher
id: '38249'
last_name: Link
- first_name: Sven
full_name: Mertin, Sven
id: '13195'
last_name: Mertin
- first_name: Sandra
full_name: Gausemeier, Sandra
id: '17793'
last_name: Gausemeier
- first_name: Ansgar
full_name: Trächtler, Ansgar
id: '552'
last_name: Trächtler
citation:
ama: 'Malena K, Link C, Mertin S, Gausemeier S, Trächtler A. Validation of an Online
State Estimation Concept for Microscopic Traffic Simulations◆. In: 2021 IEEE
Transportation Electrification Conference & Expo (ITEC). IEEE; 2021. doi:10.1109/itec51675.2021.9490087'
apa: Malena, K., Link, C., Mertin, S., Gausemeier, S., & Trächtler, A. (2021).
Validation of an Online State Estimation Concept for Microscopic Traffic Simulations◆.
2021 IEEE Transportation Electrification Conference & Expo (ITEC).
2021 IEEE Transportation Electrification Conference & Expo (ITEC). https://doi.org/10.1109/itec51675.2021.9490087
bibtex: '@inproceedings{Malena_Link_Mertin_Gausemeier_Trächtler_2021, place={Chicago,
IL, USA }, title={Validation of an Online State Estimation Concept for Microscopic
Traffic Simulations◆}, DOI={10.1109/itec51675.2021.9490087},
booktitle={2021 IEEE Transportation Electrification Conference & Expo (ITEC)},
publisher={IEEE}, author={Malena, Kevin and Link, Christopher and Mertin, Sven
and Gausemeier, Sandra and Trächtler, Ansgar}, year={2021} }'
chicago: 'Malena, Kevin, Christopher Link, Sven Mertin, Sandra Gausemeier, and Ansgar
Trächtler. “Validation of an Online State Estimation Concept for Microscopic Traffic
Simulations◆.” In 2021 IEEE Transportation Electrification Conference &
Expo (ITEC). Chicago, IL, USA : IEEE, 2021. https://doi.org/10.1109/itec51675.2021.9490087.'
ieee: 'K. Malena, C. Link, S. Mertin, S. Gausemeier, and A. Trächtler, “Validation
of an Online State Estimation Concept for Microscopic Traffic Simulations◆,” presented
at the 2021 IEEE Transportation Electrification Conference & Expo (ITEC),
2021, doi: 10.1109/itec51675.2021.9490087.'
mla: Malena, Kevin, et al. “Validation of an Online State Estimation Concept for
Microscopic Traffic Simulations◆.” 2021 IEEE Transportation Electrification
Conference & Expo (ITEC), IEEE, 2021, doi:10.1109/itec51675.2021.9490087.
short: 'K. Malena, C. Link, S. Mertin, S. Gausemeier, A. Trächtler, in: 2021 IEEE
Transportation Electrification Conference & Expo (ITEC), IEEE, Chicago, IL,
USA , 2021.'
conference:
end_date: 2021-05-25
name: 2021 IEEE Transportation Electrification Conference & Expo (ITEC)
start_date: 2021-05-21
date_created: 2021-09-10T12:45:25Z
date_updated: 2026-01-26T08:50:10Z
department:
- _id: '153'
doi: 10.1109/itec51675.2021.9490087
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://ieeexplore.ieee.org/document/9490087
oa: '1'
place: 'Chicago, IL, USA '
project:
- _id: '688'
name: Pilotprojekt "Schlosskreuzung"
publication: 2021 IEEE Transportation Electrification Conference & Expo (ITEC)
publication_identifier:
isbn:
- 978-1-7281-7584-3
publication_status: published
publisher: IEEE
related_material:
link:
- relation: confirmation
url: https://ieeexplore.ieee.org/document/9490087
status: public
title: Validation of an Online State Estimation Concept for Microscopic Traffic Simulations◆
type: conference
user_id: '36303'
year: '2021'
...
---
_id: '63848'
author:
- first_name: Katharina
full_name: Elbwart, Katharina
id: '87912'
last_name: Elbwart
citation:
ama: Elbwart K. Welcome to Miami, bienvenido a Miami - Showcasing Florida to teach
linguistic and cultural diversity in the EFL classroom. Praxis Englisch.
2021;1:44-46.
apa: Elbwart, K. (2021). Welcome to Miami, bienvenido a Miami - Showcasing Florida
to teach linguistic and cultural diversity in the EFL classroom. Praxis Englisch,
1, 44–46.
bibtex: '@article{Elbwart_2021, title={Welcome to Miami, bienvenido a Miami - Showcasing
Florida to teach linguistic and cultural diversity in the EFL classroom}, volume={1},
journal={Praxis Englisch}, author={Elbwart, Katharina}, year={2021}, pages={44–46}
}'
chicago: 'Elbwart, Katharina. “Welcome to Miami, Bienvenido a Miami - Showcasing
Florida to Teach Linguistic and Cultural Diversity in the EFL Classroom.” Praxis
Englisch 1 (2021): 44–46.'
ieee: K. Elbwart, “Welcome to Miami, bienvenido a Miami - Showcasing Florida to
teach linguistic and cultural diversity in the EFL classroom,” Praxis Englisch,
vol. 1, pp. 44–46, 2021.
mla: Elbwart, Katharina. “Welcome to Miami, Bienvenido a Miami - Showcasing Florida
to Teach Linguistic and Cultural Diversity in the EFL Classroom.” Praxis Englisch,
vol. 1, 2021, pp. 44–46.
short: K. Elbwart, Praxis Englisch 1 (2021) 44–46.
date_created: 2026-02-03T14:46:20Z
date_updated: 2026-02-03T14:46:27Z
intvolume: ' 1'
language:
- iso: eng
page: 44-46
publication: Praxis Englisch
status: public
title: Welcome to Miami, bienvenido a Miami - Showcasing Florida to teach linguistic
and cultural diversity in the EFL classroom
type: journal_article
user_id: '87912'
volume: 1
year: '2021'
...
---
_id: '63847'
author:
- first_name: Katharina
full_name: Elbwart, Katharina
id: '87912'
last_name: Elbwart
citation:
ama: Elbwart K. Speaking Singlish - A legacy of Singapore’s colonialism. Praxis
Englisch. 2021;4:44-46.
apa: Elbwart, K. (2021). Speaking Singlish - A legacy of Singapore’s colonialism.
Praxis Englisch, 4, 44–46.
bibtex: '@article{Elbwart_2021, title={Speaking Singlish - A legacy of Singapore’s
colonialism}, volume={4}, journal={Praxis Englisch}, author={Elbwart, Katharina},
year={2021}, pages={44–46} }'
chicago: 'Elbwart, Katharina. “Speaking Singlish - A Legacy of Singapore’s Colonialism.”
Praxis Englisch 4 (2021): 44–46.'
ieee: K. Elbwart, “Speaking Singlish - A legacy of Singapore’s colonialism,” Praxis
Englisch, vol. 4, pp. 44–46, 2021.
mla: Elbwart, Katharina. “Speaking Singlish - A Legacy of Singapore’s Colonialism.”
Praxis Englisch, vol. 4, 2021, pp. 44–46.
short: K. Elbwart, Praxis Englisch 4 (2021) 44–46.
date_created: 2026-02-03T14:45:50Z
date_updated: 2026-02-03T14:46:32Z
intvolume: ' 4'
language:
- iso: eng
page: 44-46
publication: Praxis Englisch
status: public
title: Speaking Singlish - A legacy of Singapore's colonialism
type: journal_article
user_id: '87912'
volume: 4
year: '2021'
...
---
_id: '36077'
author:
- first_name: Thomas
full_name: Hoppe, Thomas
id: '22671'
last_name: Hoppe
- first_name: Jens
full_name: Müller, Jens
id: '1245'
last_name: Müller
- first_name: Katharina
full_name: Wittek, Katharina
id: '69169'
last_name: Wittek
- first_name: Arndt
full_name: Weinrich, Arndt
id: '72091'
last_name: Weinrich
orcid: 0000-0002-3983-0269
citation:
ama: Hoppe T, Müller J, Wittek K, Weinrich A. Eine ökonomische Einordnung des öffentlichen
Country-by-Country Reporting in der EU. iStR. Published online 2021.
apa: Hoppe, T., Müller, J., Wittek, K., & Weinrich, A. (2021). Eine ökonomische
Einordnung des öffentlichen Country-by-Country Reporting in der EU. IStR.
bibtex: '@article{Hoppe_Müller_Wittek_Weinrich_2021, title={Eine ökonomische Einordnung
des öffentlichen Country-by-Country Reporting in der EU}, journal={iStR}, author={Hoppe,
Thomas and Müller, Jens and Wittek, Katharina and Weinrich, Arndt}, year={2021}
}'
chicago: Hoppe, Thomas, Jens Müller, Katharina Wittek, and Arndt Weinrich. “Eine
Ökonomische Einordnung Des Öffentlichen Country-by-Country Reporting in Der EU.”
IStR, 2021.
ieee: T. Hoppe, J. Müller, K. Wittek, and A. Weinrich, “Eine ökonomische Einordnung
des öffentlichen Country-by-Country Reporting in der EU,” iStR, 2021.
mla: Hoppe, Thomas, et al. “Eine Ökonomische Einordnung Des Öffentlichen Country-by-Country
Reporting in Der EU.” IStR, 2021.
short: T. Hoppe, J. Müller, K. Wittek, A. Weinrich, IStR (2021).
date_created: 2023-01-11T12:07:19Z
date_updated: 2026-02-04T07:12:03Z
department:
- _id: '635'
- _id: '189'
language:
- iso: eng
publication: iStR
status: public
title: Eine ökonomische Einordnung des öffentlichen Country-by-Country Reporting in
der EU
type: journal_article
user_id: '83776'
year: '2021'
...
---
_id: '37533'
author:
- first_name: Fredericke
full_name: Dopheide, Fredericke
last_name: Dopheide
- first_name: Christine
full_name: Freitag, Christine
id: '20560'
last_name: Freitag
- first_name: Lea
full_name: Koch, Lea
last_name: Koch
- first_name: Caroline
full_name: Struchholz, Caroline
last_name: Struchholz
citation:
ama: 'Dopheide F, Freitag C, Koch L, Struchholz C. Gesellschaftliche Wirkprozesse
des Civic Engagement qualitativ erforschen. In: Gerholz K-H, https://www.bildung-durch-verantwortung.de/wp-content/uploads/2021/03/Proceedings_AGForschung_ImpulseMethoden.pdf,
eds. Impulse zu Methoden in der deutschsprachigen Civic Engagement-Forschung.
; 2021:15-32.'
apa: Dopheide, F., Freitag, C., Koch, L., & Struchholz, C. (2021). Gesellschaftliche
Wirkprozesse des Civic Engagement qualitativ erforschen. In K.-H. Gerholz &
https://www.bildung-durch-verantwortung.de/wp-content/uploads/2021/03/Proceedings_AGForschung_ImpulseMethoden.pdf
(Eds.), Impulse zu Methoden in der deutschsprachigen Civic Engagement-Forschung
(pp. 15–32).
bibtex: '@inbook{Dopheide_Freitag_Koch_Struchholz_2021, title={Gesellschaftliche
Wirkprozesse des Civic Engagement qualitativ erforschen}, booktitle={Impulse zu
Methoden in der deutschsprachigen Civic Engagement-Forschung}, author={Dopheide,
Fredericke and Freitag, Christine and Koch, Lea and Struchholz, Caroline}, editor={Gerholz,
Karl-Heinz and https://www.bildung-durch-verantwortung.de/wp-content/uploads/2021/03/Proceedings_AGForschung_ImpulseMethoden.pdf},
year={2021}, pages={15–32} }'
chicago: Dopheide, Fredericke, Christine Freitag, Lea Koch, and Caroline Struchholz.
“Gesellschaftliche Wirkprozesse des Civic Engagement qualitativ erforschen.” In
Impulse zu Methoden in der deutschsprachigen Civic Engagement-Forschung,
edited by Karl-Heinz Gerholz and https://www.bildung-durch-verantwortung.de/wp-content/uploads/2021/03/Proceedings_AGForschung_ImpulseMethoden.pdf,
15–32, 2021.
ieee: F. Dopheide, C. Freitag, L. Koch, and C. Struchholz, “Gesellschaftliche Wirkprozesse
des Civic Engagement qualitativ erforschen,” in Impulse zu Methoden in der
deutschsprachigen Civic Engagement-Forschung, K.-H. Gerholz and https://www.bildung-durch-verantwortung.de/wp-content/uploads/2021/03/Proceedings_AGForschung_ImpulseMethoden.pdf,
Eds. 2021, pp. 15–32.
mla: Dopheide, Fredericke, et al. “Gesellschaftliche Wirkprozesse des Civic Engagement
qualitativ erforschen.” Impulse zu Methoden in der deutschsprachigen Civic
Engagement-Forschung, edited by Karl-Heinz Gerholz and https://www.bildung-durch-verantwortung.de/wp-content/uploads/2021/03/Proceedings_AGForschung_ImpulseMethoden.pdf,
2021, pp. 15–32.
short: 'F. Dopheide, C. Freitag, L. Koch, C. Struchholz, in: K.-H. Gerholz, https://www.bildung-durch-verantwortung.de/wp-content/uploads/2021/03/Proceedings_AGForschung_ImpulseMethoden.pdf
(Eds.), Impulse zu Methoden in der deutschsprachigen Civic Engagement-Forschung,
2021, pp. 15–32.'
corporate_editor:
- https://www.bildung-durch-verantwortung.de/wp-content/uploads/2021/03/Proceedings_AGForschung_ImpulseMethoden.pdf
date_created: 2023-01-19T09:52:50Z
date_updated: 2026-02-06T10:08:25Z
department:
- _id: '453'
editor:
- first_name: Karl-Heinz
full_name: Gerholz, Karl-Heinz
last_name: Gerholz
language:
- iso: ger
page: 15-32
publication: Impulse zu Methoden in der deutschsprachigen Civic Engagement-Forschung
publication_status: published
status: public
title: Gesellschaftliche Wirkprozesse des Civic Engagement qualitativ erforschen
type: book_chapter
user_id: '10831'
year: '2021'
...
---
_id: '64052'
abstract:
- lang: eng
text: Abstract Estuaries are key ecosystems with unique biodiversity and are of
high economic importance. Along the estuaries, variations in environmental parameters,
such as salinity and light penetration, can modify the characteristics of dissolved
organic matter (DOM). Nevertheless, there is still limited information about the
atomic-level transformations of DOM in this ecosystem. Solid-state NMR spectroscopy
provides unique insights into the nature of functional groups in DOM. A major
limitation of this technique is its lack of sensivity, which results in experimental
time of tens of hours for the acquisition of 13C NMR spectra and generally precludes
the observation of 15N nuclei for DOM. We show here how the sensitivity of solid-state
NMR experiments on DOM of Seine estuary can be enhanced using dynamic nuclear
polarization (DNP) under magic-angle spinning. This technique allows the acquisition
of 13C NMR spectra of these samples in few minutes, instead of hours for conventional
solid-state NMR. Both conventional and DNP-enhanced 13C NMR spectra indicate that
the 13C local environments in DOM are not strongly modified along the Seine estuary.
Furthermore, the sensitivity gain provided by the DNP allows the detection of
15N NMR signal of DOM, in spite of the low nitrogen content. These spectra reveal
that the majority of nitrogen is in the amide form in these DOM samples and show
an increased disorder around these amide groups near the mouth of the Seine.
author:
- first_name: Florian
full_name: Venel, Florian
last_name: Venel
- first_name: Hiroki
full_name: Nagashima, Hiroki
last_name: Nagashima
- first_name: Andrew G. M.
full_name: Rankin, Andrew G. M.
last_name: Rankin
- first_name: Christelle
full_name: Anquetil, Christelle
last_name: Anquetil
- first_name: Vytautas
full_name: Klimavicius, Vytautas
last_name: Klimavicius
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
- first_name: Sylvie
full_name: Derenne, Sylvie
last_name: Derenne
- first_name: Olivier
full_name: Lafon, Olivier
last_name: Lafon
- first_name: Arnaud
full_name: Huguet, Arnaud
last_name: Huguet
- first_name: Frédérique
full_name: Pourpoint, Frédérique
last_name: Pourpoint
citation:
ama: Venel F, Nagashima H, Rankin AGM, et al. Characterization of Functional Groups
in Estuarine Dissolved Organic Matter by DNP-enhanced 15N and 13C Solid-State
NMR. Chemphyschem. 2021;22(18):1907–1913. doi:10.1002/cphc.202100334
apa: Venel, F., Nagashima, H., Rankin, A. G. M., Anquetil, C., Klimavicius, V.,
Gutmann, T., Buntkowsky, G., Derenne, S., Lafon, O., Huguet, A., & Pourpoint,
F. (2021). Characterization of Functional Groups in Estuarine Dissolved Organic
Matter by DNP-enhanced 15N and 13C Solid-State NMR. Chemphyschem, 22(18),
1907–1913. https://doi.org/10.1002/cphc.202100334
bibtex: '@article{Venel_Nagashima_Rankin_Anquetil_Klimavicius_Gutmann_Buntkowsky_Derenne_Lafon_Huguet_et
al._2021, title={Characterization of Functional Groups in Estuarine Dissolved
Organic Matter by DNP-enhanced 15N and 13C Solid-State NMR}, volume={22}, DOI={10.1002/cphc.202100334}, number={18},
journal={Chemphyschem}, publisher={John Wiley & Sons, Ltd}, author={Venel,
Florian and Nagashima, Hiroki and Rankin, Andrew G. M. and Anquetil, Christelle
and Klimavicius, Vytautas and Gutmann, Torsten and Buntkowsky, Gerd and Derenne,
Sylvie and Lafon, Olivier and Huguet, Arnaud and et al.}, year={2021}, pages={1907–1913}
}'
chicago: 'Venel, Florian, Hiroki Nagashima, Andrew G. M. Rankin, Christelle Anquetil,
Vytautas Klimavicius, Torsten Gutmann, Gerd Buntkowsky, et al. “Characterization
of Functional Groups in Estuarine Dissolved Organic Matter by DNP-Enhanced 15N
and 13C Solid-State NMR.” Chemphyschem 22, no. 18 (2021): 1907–1913. https://doi.org/10.1002/cphc.202100334.'
ieee: 'F. Venel et al., “Characterization of Functional Groups in Estuarine
Dissolved Organic Matter by DNP-enhanced 15N and 13C Solid-State NMR,” Chemphyschem,
vol. 22, no. 18, pp. 1907–1913, 2021, doi: 10.1002/cphc.202100334.'
mla: Venel, Florian, et al. “Characterization of Functional Groups in Estuarine
Dissolved Organic Matter by DNP-Enhanced 15N and 13C Solid-State NMR.” Chemphyschem,
vol. 22, no. 18, John Wiley & Sons, Ltd, 2021, pp. 1907–1913, doi:10.1002/cphc.202100334.
short: F. Venel, H. Nagashima, A.G.M. Rankin, C. Anquetil, V. Klimavicius, T. Gutmann,
G. Buntkowsky, S. Derenne, O. Lafon, A. Huguet, F. Pourpoint, Chemphyschem 22
(2021) 1907–1913.
date_created: 2026-02-07T16:14:11Z
date_updated: 2026-02-17T16:12:56Z
doi: 10.1002/cphc.202100334
extern: '1'
intvolume: ' 22'
issue: '18'
keyword:
- dynamic nuclear polarization
- 13C
- 15N
- dissolved organic matter
- Seine estuary
language:
- iso: eng
page: 1907–1913
publication: Chemphyschem
publication_identifier:
issn:
- 1439-4235; 1439-7641
publisher: John Wiley & Sons, Ltd
status: public
title: Characterization of Functional Groups in Estuarine Dissolved Organic Matter
by DNP-enhanced 15N and 13C Solid-State NMR
type: journal_article
user_id: '100715'
volume: 22
year: '2021'
...
---
_id: '64051'
abstract:
- lang: eng
text: The efficiency of dynamic nuclear polarization (DNP) enhanced 19F MAS NMR
spectroscopy without 19F-containing solvents and matrices, which transport polarization
via 19F–19F spin diffusion, is demonstrated. By preventing solvent and matrix
signals respectively masking the corresponding resonances, this enables the detection
of fluorinated target molecules in nanomolar amounts. As model compound, 1,3,5-tris(2-fluoro-2-methylpropionylamino)benzene
(F-BTA) is investigated in a frozen 1,1,2,2-tetrachloroethane (TCE) solution and
incorporated into a matrix of isotactic polypropylene (i-PP). While the polarizing
agent is homogeneously dissolved within the frozen solution, for the i-PP/F-BTA
blend, it is distributed via the incipient wetness impregnation (IWI) technique.
For the frozen solutions with an F-BTA concentration of 187.5 mM an εon/off of
260 was obtained. For F-BTA concentrations of 10 and 2.5 mM the sensitivity trend
suggests even higher DNP gains. The substantial enhancements could be achieved
by direct polarization transfer over distances up to at least 20 Å, derived from
a simple geometric model assuming a homogeneous solution, engaging a large part
of the sample volume. Cross-polarization (CP) to 13C nuclei allowed selection
of the NMR spectroscopic resonances of the minority species in the i-PP/F-BTA
blend suppressing the otherwise dominating resonances of the IWI solvent and the
polymer matrix. The possibility of exciting 19F via DNP directly and of transferring
the polarization to other heteronuclei within close proximity enables spatial
spectral editing to clear up spectra otherwise crowded by matrix and solvent signals.
We thus expect direct polarization transfer techniques for DNP enhanced NMR spectroscopy
to become more important in the future.
author:
- first_name: Kasper P.
full_name: van der Zwan, Kasper P.
last_name: van der Zwan
- first_name: Wiebke
full_name: Riedel, Wiebke
last_name: Riedel
- first_name: Fabien
full_name: Aussenac, Fabien
last_name: Aussenac
- first_name: Christian
full_name: Reiter, Christian
last_name: Reiter
- first_name: Klaus
full_name: Kreger, Klaus
last_name: Kreger
- first_name: Hans-Werner
full_name: Schmidt, Hans-Werner
last_name: Schmidt
- first_name: Thomas
full_name: Risse, Thomas
last_name: Risse
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Jürgen
full_name: Senker, Jürgen
last_name: Senker
citation:
ama: 'van der Zwan KP, Riedel W, Aussenac F, et al. 19F MAS DNP for Probing Molecules
in Nanomolar Concentrations: Direct Polarization as Key for Solid-State NMR Spectra
without Solvent and Matrix Signals. Journal of Physical Chemistry C. 2021;125(13):7287–7296.
doi:10.1021/acs.jpcc.1c01167'
apa: 'van der Zwan, K. P., Riedel, W., Aussenac, F., Reiter, C., Kreger, K., Schmidt,
H.-W., Risse, T., Gutmann, T., & Senker, J. (2021). 19F MAS DNP for Probing
Molecules in Nanomolar Concentrations: Direct Polarization as Key for Solid-State
NMR Spectra without Solvent and Matrix Signals. Journal of Physical Chemistry
C, 125(13), 7287–7296. https://doi.org/10.1021/acs.jpcc.1c01167'
bibtex: '@article{van der Zwan_Riedel_Aussenac_Reiter_Kreger_Schmidt_Risse_Gutmann_Senker_2021,
title={19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization
as Key for Solid-State NMR Spectra without Solvent and Matrix Signals}, volume={125},
DOI={10.1021/acs.jpcc.1c01167},
number={13}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={van der Zwan, Kasper P. and Riedel, Wiebke and Aussenac, Fabien
and Reiter, Christian and Kreger, Klaus and Schmidt, Hans-Werner and Risse, Thomas
and Gutmann, Torsten and Senker, Jürgen}, year={2021}, pages={7287–7296} }'
chicago: 'Zwan, Kasper P. van der, Wiebke Riedel, Fabien Aussenac, Christian Reiter,
Klaus Kreger, Hans-Werner Schmidt, Thomas Risse, Torsten Gutmann, and Jürgen Senker.
“19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization
as Key for Solid-State NMR Spectra without Solvent and Matrix Signals.” Journal
of Physical Chemistry C 125, no. 13 (2021): 7287–7296. https://doi.org/10.1021/acs.jpcc.1c01167.'
ieee: 'K. P. van der Zwan et al., “19F MAS DNP for Probing Molecules in Nanomolar
Concentrations: Direct Polarization as Key for Solid-State NMR Spectra without
Solvent and Matrix Signals,” Journal of Physical Chemistry C, vol. 125,
no. 13, pp. 7287–7296, 2021, doi: 10.1021/acs.jpcc.1c01167.'
mla: 'van der Zwan, Kasper P., et al. “19F MAS DNP for Probing Molecules in Nanomolar
Concentrations: Direct Polarization as Key for Solid-State NMR Spectra without
Solvent and Matrix Signals.” Journal of Physical Chemistry C, vol. 125,
no. 13, American Chemical Society, 2021, pp. 7287–7296, doi:10.1021/acs.jpcc.1c01167.'
short: K.P. van der Zwan, W. Riedel, F. Aussenac, C. Reiter, K. Kreger, H.-W. Schmidt,
T. Risse, T. Gutmann, J. Senker, Journal of Physical Chemistry C 125 (2021) 7287–7296.
date_created: 2026-02-07T16:13:55Z
date_updated: 2026-02-17T16:12:59Z
doi: 10.1021/acs.jpcc.1c01167
extern: '1'
intvolume: ' 125'
issue: '13'
language:
- iso: eng
page: 7287–7296
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: '19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization
as Key for Solid-State NMR Spectra without Solvent and Matrix Signals'
type: journal_article
user_id: '100715'
volume: 125
year: '2021'
...
---
_id: '64046'
abstract:
- lang: eng
text: The synthesis of a novel immobilized Wilkinson’s catalyst [SiO2∼PvPy-Wilk]
is presented. The support material of this catalyst consists of silica particles
that are modified with polymer brushes carrying pyridyl moieties that enable the
coordination of Wilkinson’s catalyst. The synthesis of this catalyst is monitored
by 1D and 2D multinuclear solid-state NMR techniques to confirm the success of
the immobilization. The [SiO2∼PvPy-Wilk] catalyst is then tested in the hydrogenation
of styrene, and its reusability is inspected showing that significant structural
changes after several reaction cycles yield an activation of the catalyst. Finally,
the catalyst is tested in PHIP experiments giving rise to about 200-fold enhancement
of the signals of the hydrogenation product ethylbenzene.
author:
- first_name: Mohamad
full_name: Srour, Mohamad
last_name: Srour
- first_name: Sara
full_name: Hadjiali, Sara
last_name: Hadjiali
- first_name: Kai
full_name: Brunnengräber, Kai
last_name: Brunnengräber
- first_name: Heiko
full_name: Weidler, Heiko
last_name: Weidler
- first_name: Yeping
full_name: Xu, Yeping
last_name: Xu
- first_name: Hergen
full_name: Breitzke, Hergen
last_name: Breitzke
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
citation:
ama: 'Srour M, Hadjiali S, Brunnengräber K, et al. A Novel Wilkinson’s Type Silica
Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization
Techniques. Journal of Physical Chemistry C. 2021;125(13):7178–7187. doi:10.1021/acs.jpcc.1c00112'
apa: 'Srour, M., Hadjiali, S., Brunnengräber, K., Weidler, H., Xu, Y., Breitzke,
H., Gutmann, T., & Buntkowsky, G. (2021). A Novel Wilkinson’s Type Silica
Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization
Techniques. Journal of Physical Chemistry C, 125(13), 7178–7187.
https://doi.org/10.1021/acs.jpcc.1c00112'
bibtex: '@article{Srour_Hadjiali_Brunnengräber_Weidler_Xu_Breitzke_Gutmann_Buntkowsky_2021,
title={A Novel Wilkinson’s Type Silica Supported Polymer Catalyst: Insights from
Solid-State NMR and Hyperpolarization Techniques}, volume={125}, DOI={10.1021/acs.jpcc.1c00112},
number={13}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Srour, Mohamad and Hadjiali, Sara and Brunnengräber, Kai and
Weidler, Heiko and Xu, Yeping and Breitzke, Hergen and Gutmann, Torsten and Buntkowsky,
Gerd}, year={2021}, pages={7178–7187} }'
chicago: 'Srour, Mohamad, Sara Hadjiali, Kai Brunnengräber, Heiko Weidler, Yeping
Xu, Hergen Breitzke, Torsten Gutmann, and Gerd Buntkowsky. “A Novel Wilkinson’s
Type Silica Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization
Techniques.” Journal of Physical Chemistry C 125, no. 13 (2021): 7178–7187.
https://doi.org/10.1021/acs.jpcc.1c00112.'
ieee: 'M. Srour et al., “A Novel Wilkinson’s Type Silica Supported Polymer
Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques,” Journal
of Physical Chemistry C, vol. 125, no. 13, pp. 7178–7187, 2021, doi: 10.1021/acs.jpcc.1c00112.'
mla: 'Srour, Mohamad, et al. “A Novel Wilkinson’s Type Silica Supported Polymer
Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques.” Journal
of Physical Chemistry C, vol. 125, no. 13, American Chemical Society, 2021,
pp. 7178–7187, doi:10.1021/acs.jpcc.1c00112.'
short: M. Srour, S. Hadjiali, K. Brunnengräber, H. Weidler, Y. Xu, H. Breitzke,
T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry C 125 (2021) 7178–7187.
date_created: 2026-02-07T16:12:28Z
date_updated: 2026-02-17T16:13:08Z
doi: 10.1021/acs.jpcc.1c00112
extern: '1'
intvolume: ' 125'
issue: '13'
language:
- iso: eng
page: 7178–7187
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: 'A Novel Wilkinson’s Type Silica Supported Polymer Catalyst: Insights from
Solid-State NMR and Hyperpolarization Techniques'
type: journal_article
user_id: '100715'
volume: 125
year: '2021'
...
---
_id: '64032'
abstract:
- lang: eng
text: Ruthenium nanoparticles (Ru NPs) stabilized by bis-diphenylphosphinobutane
(dppb) and surface-saturated with hydrogen have been exposed to gaseous 15NH3
and studied using solid-state 15N CP MAS NMR. Three signals have been observed
at 24.5, −12 and −42 ppm (reference external liquid ammonia) which are assigned
to chemisorbed ammonia species RuNHx. Sample exposure to vacuum or aging leads
to conversion of the 24.5 ppm species into the other ones, a process which is
reversed by re-exposure to hydrogen gas. Exposure to a mixture of 15NH3 and 13CO
leads to the formation of surface bound urea as demonstrated by 15N and 13C CP
MAS NMR. To understand the surface reactions of ammonia and the 15N NMR results,
quantum chemical calculations of the structures, energies and 15N chemical shifts
of ammonia species on Ru6 and Ru55 model clusters have been performed. The calculations
indicate that under the experimental conditions applied, the fractions of RuNH3
and RuNH2 species are similar, independent of the H2 pressure. No RuN and RuNH
species are formed which are calculated to resonate at a lower field than the
signals observed experimentally. However, the 15N chemical shifts of RuNH2 depend
on the number of neighboring surface hydrogens and hence on the H2 pressure. Thus,
the signal at 24.5 ppm is assigned to RuNH2 in a neighborhood rich in surface
hydrogens. RuNH2 depleted in neighboring surface hydrogens and RuNH3 resonated
both in a similar chemical shift range to which the signals at −12 and −42 belong.
A change of the hydrogen pressure then leads to interconversion of hydrogen-rich
and hydrogen-poor neighborhoods of RuNH2 but does not alter the fractions of RuNH3
and RuNH2 according to the calculated stability diagram. Nevertheless, dissociation
of RuNH3 into RuNH2 and surface hydrogen is expected to take place during the
initial ammonia adsorption process and at low H2 pressures and high temperatures.
Finally, some preliminary quantum chemical calculations suggest stepwise binding
of two NH2 groups to adsorbed CO leading to surface bound urea where the oxygen
is coordinated to Ru.
author:
- first_name: Niels
full_name: Rothermel, Niels
last_name: Rothermel
- first_name: Hans-Heinrich
full_name: Limbach, Hans-Heinrich
last_name: Limbach
- first_name: Iker
full_name: Del Rosal, Iker
last_name: Del Rosal
- first_name: Romuald
full_name: Poteau, Romuald
last_name: Poteau
- first_name: Gabriel
full_name: Mencia, Gabriel
last_name: Mencia
- first_name: Bruno
full_name: Chaudret, Bruno
last_name: Chaudret
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
citation:
ama: Rothermel N, Limbach H-H, Del Rosal I, et al. Surface reactions of ammonia
on ruthenium nanoparticles revealed by 15N and 13C solid-state NMR. Catalysis
Science & Technology. 2021;11(13):4509–4520. doi:10.1039/D0CY02476G
apa: Rothermel, N., Limbach, H.-H., Del Rosal, I., Poteau, R., Mencia, G., Chaudret,
B., Buntkowsky, G., & Gutmann, T. (2021). Surface reactions of ammonia on
ruthenium nanoparticles revealed by 15N and 13C solid-state NMR. Catalysis
Science & Technology, 11(13), 4509–4520. https://doi.org/10.1039/D0CY02476G
bibtex: '@article{Rothermel_Limbach_Del Rosal_Poteau_Mencia_Chaudret_Buntkowsky_Gutmann_2021,
title={Surface reactions of ammonia on ruthenium nanoparticles revealed by 15N
and 13C solid-state NMR}, volume={11}, DOI={10.1039/D0CY02476G},
number={13}, journal={Catalysis Science & Technology}, publisher={The Royal
Society of Chemistry}, author={Rothermel, Niels and Limbach, Hans-Heinrich and
Del Rosal, Iker and Poteau, Romuald and Mencia, Gabriel and Chaudret, Bruno and
Buntkowsky, Gerd and Gutmann, Torsten}, year={2021}, pages={4509–4520} }'
chicago: 'Rothermel, Niels, Hans-Heinrich Limbach, Iker Del Rosal, Romuald Poteau,
Gabriel Mencia, Bruno Chaudret, Gerd Buntkowsky, and Torsten Gutmann. “Surface
Reactions of Ammonia on Ruthenium Nanoparticles Revealed by 15N and 13C Solid-State
NMR.” Catalysis Science & Technology 11, no. 13 (2021): 4509–4520.
https://doi.org/10.1039/D0CY02476G.'
ieee: 'N. Rothermel et al., “Surface reactions of ammonia on ruthenium nanoparticles
revealed by 15N and 13C solid-state NMR,” Catalysis Science & Technology,
vol. 11, no. 13, pp. 4509–4520, 2021, doi: 10.1039/D0CY02476G.'
mla: Rothermel, Niels, et al. “Surface Reactions of Ammonia on Ruthenium Nanoparticles
Revealed by 15N and 13C Solid-State NMR.” Catalysis Science & Technology,
vol. 11, no. 13, The Royal Society of Chemistry, 2021, pp. 4509–4520, doi:10.1039/D0CY02476G.
short: N. Rothermel, H.-H. Limbach, I. Del Rosal, R. Poteau, G. Mencia, B. Chaudret,
G. Buntkowsky, T. Gutmann, Catalysis Science & Technology 11 (2021) 4509–4520.
date_created: 2026-02-07T16:06:48Z
date_updated: 2026-02-17T16:13:50Z
doi: 10.1039/D0CY02476G
extern: '1'
intvolume: ' 11'
issue: '13'
language:
- iso: eng
page: 4509–4520
publication: Catalysis Science & Technology
publication_identifier:
issn:
- 2044-4753
publisher: The Royal Society of Chemistry
status: public
title: Surface reactions of ammonia on ruthenium nanoparticles revealed by 15N and
13C solid-state NMR
type: journal_article
user_id: '100715'
volume: 11
year: '2021'
...
---
_id: '64025'
abstract:
- lang: eng
text: Dirhodium(II) complexes such as [Rh2(TFA)4] bound to a functionalized mesoporous
SBA-15 carrier material have proven to be valuable candidates for heterogeneous
catalysis in the field of pharmaceutical synthesis. However, the mechanistic steps
of immobilization by linker molecules containing carboxyl or amine functionalities
remain the subject of discussion. Here we present a theoretical study of possible
mechanistic binding pathways for the [Rh2(TFA)4] complex through model representations
of synthetically investigated linkers, namely n-butylamine and n-butyric acid.
Experimentally proposed intermediates of the immobilization process are investigated
and analyzed by density functional theory calculations to gain insights into structural
properties and the influence of solvation. An evaluation of the thermodynamic
data for all identified intermediates allowed distinguishing between two possible
reaction pathways that are characterized by a first axial complexation of either
n-butyric acid or n-butylamine. In agreement with results from NMR spectroscopy,
singly or doubly n-butylamine-fixated complexes were found to present possible
immobilization products. Initial binding through a carboxy-functionalized linker
is proposed as the most favorable reaction pathway for the formation of the mixed
linker pattern [Rh2(TFA)3]·(n-butylamine)·(n-butyrate). The linkers n-butyric
acid and n-butyrate, respectively, are found to exhibit an unaltered binding affinity
to the dirhodium complex despite their protonation states, indicating invariance
to the acidic environment unlike an immobilization by n-butylamine. These results
present a theoretical framework for the rationalization of observed product distributions
while also providing inspiration and guidance for the preparation of functionalized
heterogeneous SBA-15/dirhodium catalyst systems.
author:
- first_name: Dennis S.
full_name: Pietruschka, Dennis S.
last_name: Pietruschka
- first_name: Bharti
full_name: Kumari, Bharti
last_name: Kumari
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Doreen
full_name: Mollenhauer, Doreen
last_name: Mollenhauer
citation:
ama: 'Pietruschka DS, Kumari B, Buntkowsky G, Gutmann T, Mollenhauer D. Mechanism
of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations. Inorganic
Chemistry. 2021;60(9):6239–6248. doi:10.1021/acs.inorgchem.0c03712'
apa: 'Pietruschka, D. S., Kumari, B., Buntkowsky, G., Gutmann, T., & Mollenhauer,
D. (2021). Mechanism of Heterogenization of Dirhodium Catalysts: Insights from
DFT Calculations. Inorganic Chemistry, 60(9), 6239–6248. https://doi.org/10.1021/acs.inorgchem.0c03712'
bibtex: '@article{Pietruschka_Kumari_Buntkowsky_Gutmann_Mollenhauer_2021, title={Mechanism
of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations}, volume={60},
DOI={10.1021/acs.inorgchem.0c03712},
number={9}, journal={Inorganic Chemistry}, publisher={American Chemical Society},
author={Pietruschka, Dennis S. and Kumari, Bharti and Buntkowsky, Gerd and Gutmann,
Torsten and Mollenhauer, Doreen}, year={2021}, pages={6239–6248} }'
chicago: 'Pietruschka, Dennis S., Bharti Kumari, Gerd Buntkowsky, Torsten Gutmann,
and Doreen Mollenhauer. “Mechanism of Heterogenization of Dirhodium Catalysts:
Insights from DFT Calculations.” Inorganic Chemistry 60, no. 9 (2021):
6239–6248. https://doi.org/10.1021/acs.inorgchem.0c03712.'
ieee: 'D. S. Pietruschka, B. Kumari, G. Buntkowsky, T. Gutmann, and D. Mollenhauer,
“Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations,”
Inorganic Chemistry, vol. 60, no. 9, pp. 6239–6248, 2021, doi: 10.1021/acs.inorgchem.0c03712.'
mla: 'Pietruschka, Dennis S., et al. “Mechanism of Heterogenization of Dirhodium
Catalysts: Insights from DFT Calculations.” Inorganic Chemistry, vol. 60,
no. 9, American Chemical Society, 2021, pp. 6239–6248, doi:10.1021/acs.inorgchem.0c03712.'
short: D.S. Pietruschka, B. Kumari, G. Buntkowsky, T. Gutmann, D. Mollenhauer, Inorganic
Chemistry 60 (2021) 6239–6248.
date_created: 2026-02-07T16:04:53Z
date_updated: 2026-02-17T16:14:13Z
doi: 10.1021/acs.inorgchem.0c03712
extern: '1'
intvolume: ' 60'
issue: '9'
language:
- iso: eng
page: 6239–6248
publication: Inorganic Chemistry
publisher: American Chemical Society
status: public
title: 'Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations'
type: journal_article
user_id: '100715'
volume: 60
year: '2021'
...
---
_id: '64027'
abstract:
- lang: eng
text: The biorelevant PyFALGEA oligopeptide ligand, which is selective towards the
epidermal growth factor receptor (EGFR), has been successfully employed as a substrate
in magnetic resonance signal amplification by reversible exchange (SABRE) experiments.
It is demonstrated that PyFALGEA and the iridium catalyst IMes form a PyFALGEA:IMes
molecular complex. The interaction between PyFALGEA:IMes and H-2 results in a
ternary SABRE complex. Selective 1D EXSY experiments reveal that this complex
is labile, which is an essential condition for successful hyperpolarization by
SABRE. Polarization transfer from parahydrogen to PyFALGEA is observed leading
to significant enhancement of the H-1 NMR signals of PyFALGEA. Different iridium
catalysts and peptides are inspected to discuss the influence of their molecular
structures on the efficiency of hyperpolarization. It is observed that PyFALGEA
oligopeptide hyperpolarization is more efficient when an iridium catalyst with
a sterically less demanding NHC ligand system such as IMesBn is employed. Experiments
with shorter analogues of PyFALGEA, that is, PyLGEA and PyEA, show that the bulky
phenylalanine from the PyFALGEA oligopeptide causes steric hindrance in the SABRE
complex, which hampers hyperpolarization with IMes. Finally, a single-scan H-1
NMR SABRE experiment of PyFALGEA with IMesBn revealed a unique pattern of NMR
lines in the hydride region, which can be treated as a fingerprint of this important
oligopeptide.
author:
- first_name: T.
full_name: Ratajczyk, T.
last_name: Ratajczyk
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: B.
full_name: Fedorczyk, B.
last_name: Fedorczyk
- first_name: A.
full_name: Mames, A.
last_name: Mames
- first_name: M.
full_name: Pietrzak, M.
last_name: Pietrzak
- first_name: Z.
full_name: Puzio, Z.
last_name: Puzio
- first_name: P. G.
full_name: Szkudlarek, P. G.
last_name: Szkudlarek
citation:
ama: Ratajczyk T, Buntkowsky G, Gutmann T, et al. Magnetic Resonance Signal Amplification
by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal
Growth Factor Receptors. ChemBioChem. 2021;22(5):855–860. doi:10.1002/cbic.202000711
apa: Ratajczyk, T., Buntkowsky, G., Gutmann, T., Fedorczyk, B., Mames, A., Pietrzak,
M., Puzio, Z., & Szkudlarek, P. G. (2021). Magnetic Resonance Signal Amplification
by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal
Growth Factor Receptors. ChemBioChem, 22(5), 855–860. https://doi.org/10.1002/cbic.202000711
bibtex: '@article{Ratajczyk_Buntkowsky_Gutmann_Fedorczyk_Mames_Pietrzak_Puzio_Szkudlarek_2021,
title={Magnetic Resonance Signal Amplification by Reversible Exchange of Selective
PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors}, volume={22},
DOI={10.1002/cbic.202000711},
number={5}, journal={ChemBioChem}, author={Ratajczyk, T. and Buntkowsky, G. and
Gutmann, Torsten and Fedorczyk, B. and Mames, A. and Pietrzak, M. and Puzio, Z.
and Szkudlarek, P. G.}, year={2021}, pages={855–860} }'
chicago: 'Ratajczyk, T., G. Buntkowsky, Torsten Gutmann, B. Fedorczyk, A. Mames,
M. Pietrzak, Z. Puzio, and P. G. Szkudlarek. “Magnetic Resonance Signal Amplification
by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal
Growth Factor Receptors.” ChemBioChem 22, no. 5 (2021): 855–860. https://doi.org/10.1002/cbic.202000711.'
ieee: 'T. Ratajczyk et al., “Magnetic Resonance Signal Amplification by Reversible
Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor
Receptors,” ChemBioChem, vol. 22, no. 5, pp. 855–860, 2021, doi: 10.1002/cbic.202000711.'
mla: Ratajczyk, T., et al. “Magnetic Resonance Signal Amplification by Reversible
Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor
Receptors.” ChemBioChem, vol. 22, no. 5, 2021, pp. 855–860, doi:10.1002/cbic.202000711.
short: T. Ratajczyk, G. Buntkowsky, T. Gutmann, B. Fedorczyk, A. Mames, M. Pietrzak,
Z. Puzio, P.G. Szkudlarek, ChemBioChem 22 (2021) 855–860.
date_created: 2026-02-07T16:05:21Z
date_updated: 2026-02-17T16:14:09Z
doi: 10.1002/cbic.202000711
extern: '1'
intvolume: ' 22'
issue: '5'
language:
- iso: eng
page: 855–860
publication: ChemBioChem
status: public
title: Magnetic Resonance Signal Amplification by Reversible Exchange of Selective
PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors
type: journal_article
user_id: '100715'
volume: 22
year: '2021'
...
---
_id: '64022'
abstract:
- lang: eng
text: High-field dynamic nuclear polarization is a powerful tool for the structural
characterization of species on the surface of porous materials or nanoparticles.
For these studies the main source of polarization are radical-containing solutions
which are added by post-synthesis impregnation of the sample. Although this strategy
is very efficient for a wide variety of materials, the presence of the solvent
may influence the chemistry of functional species of interest. Here we address
the development of a comprehensive strategy for solvent-free DNP enhanced NMR
characterization of functional (target) species on the surface of mesoporous silica
(SBA-15). The strategy includes the partial functionalization of the silica surface
with Carboxy-Proxyl nitroxide radicals and target Fmoc-Glycine functional groups.
As a proof of principle, we have observed for the first time DNP signal enhancements,
using the solvent-free approach, for 13C1H CPMAS signals corresponding to organic
functionalities on the silica surface. DNP enhancements of up to 3.4 were observed
for 13C1H CPMAS, corresponding to an experimental time save of about 12 times.
This observation opens the possibility for the DNP-NMR study of surface functional
groups without the need of a solvent, allowing, for example, the characterization
of catalytic reactions occurring on the surface of mesoporous systems of interest.
For 29Si with direct polarization NMR, up to 8-fold DNP enhancements were obtained.
This 29Si signal enhancement is considerably higher than the obtained with similar
approaches reported in literature. Finally, from DNP enhancement profiles we conclude
that cross-effect is probably the dominant polarization transfer mechanism.
author:
- first_name: Marcos
full_name: Oliveira, Marcos
last_name: Oliveira
- first_name: Kevin
full_name: Herr, Kevin
last_name: Herr
- first_name: Martin
full_name: Brodrecht, Martin
last_name: Brodrecht
- first_name: Nadia B.
full_name: Haro-Mares, Nadia B.
last_name: Haro-Mares
- first_name: Till
full_name: Wissel, Till
last_name: Wissel
- first_name: Vytautas
full_name: Klimavicius, Vytautas
last_name: Klimavicius
- first_name: Hergen
full_name: Breitzke, Hergen
last_name: Breitzke
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
citation:
ama: Oliveira M, Herr K, Brodrecht M, et al. Solvent-free dynamic nuclear polarization
enhancements in organically modified mesoporous silica. Physical Chemistry
Chemical Physics. 2021;23(22):12559–12568. doi:10.1039/D1CP00985K
apa: Oliveira, M., Herr, K., Brodrecht, M., Haro-Mares, N. B., Wissel, T., Klimavicius,
V., Breitzke, H., Gutmann, T., & Buntkowsky, G. (2021). Solvent-free dynamic
nuclear polarization enhancements in organically modified mesoporous silica. Physical
Chemistry Chemical Physics, 23(22), 12559–12568. https://doi.org/10.1039/D1CP00985K
bibtex: '@article{Oliveira_Herr_Brodrecht_Haro-Mares_Wissel_Klimavicius_Breitzke_Gutmann_Buntkowsky_2021,
title={Solvent-free dynamic nuclear polarization enhancements in organically modified
mesoporous silica}, volume={23}, DOI={10.1039/D1CP00985K},
number={22}, journal={Physical Chemistry Chemical Physics}, publisher={The Royal
Society of Chemistry}, author={Oliveira, Marcos and Herr, Kevin and Brodrecht,
Martin and Haro-Mares, Nadia B. and Wissel, Till and Klimavicius, Vytautas and
Breitzke, Hergen and Gutmann, Torsten and Buntkowsky, Gerd}, year={2021}, pages={12559–12568}
}'
chicago: 'Oliveira, Marcos, Kevin Herr, Martin Brodrecht, Nadia B. Haro-Mares, Till
Wissel, Vytautas Klimavicius, Hergen Breitzke, Torsten Gutmann, and Gerd Buntkowsky.
“Solvent-Free Dynamic Nuclear Polarization Enhancements in Organically Modified
Mesoporous Silica.” Physical Chemistry Chemical Physics 23, no. 22 (2021):
12559–12568. https://doi.org/10.1039/D1CP00985K.'
ieee: 'M. Oliveira et al., “Solvent-free dynamic nuclear polarization enhancements
in organically modified mesoporous silica,” Physical Chemistry Chemical Physics,
vol. 23, no. 22, pp. 12559–12568, 2021, doi: 10.1039/D1CP00985K.'
mla: Oliveira, Marcos, et al. “Solvent-Free Dynamic Nuclear Polarization Enhancements
in Organically Modified Mesoporous Silica.” Physical Chemistry Chemical Physics,
vol. 23, no. 22, The Royal Society of Chemistry, 2021, pp. 12559–12568, doi:10.1039/D1CP00985K.
short: M. Oliveira, K. Herr, M. Brodrecht, N.B. Haro-Mares, T. Wissel, V. Klimavicius,
H. Breitzke, T. Gutmann, G. Buntkowsky, Physical Chemistry Chemical Physics 23
(2021) 12559–12568.
date_created: 2026-02-07T16:03:58Z
date_updated: 2026-02-17T16:14:21Z
doi: 10.1039/D1CP00985K
extern: '1'
intvolume: ' 23'
issue: '22'
language:
- iso: eng
page: 12559–12568
publication: Physical Chemistry Chemical Physics
publisher: The Royal Society of Chemistry
status: public
title: Solvent-free dynamic nuclear polarization enhancements in organically modified
mesoporous silica
type: journal_article
user_id: '100715'
volume: 23
year: '2021'
...
---
_id: '64016'
abstract:
- lang: eng
text: Bacterial cellulose (BC) combined with organo-bridged porous silica nanoparticles
offers potential opportunities to develop smart hybrid materials such as advanced
drug delivery nanosystems. This work reports the preparation of bacterial cellulose
membrane (BCM) and their modification by in situ methodology with the organo-bridged
precursor 1,4-bis(triethoxysilyl)benzene (BTEB). BTEB was successfully incorporated
into the BCM, and spherical hybrid silica nanoparticles with heterogeneous particle
size (30–100 nm) and probably porous structure were formed and characterized by
scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier
transform infrared–attenuated total reflectance (FTIR-ATR), thermogravimetric
analysis (TGA), and solid state nuclear magnetic resonance (NMR). We further combined
solid-state NMR with dynamic nuclear polarization (DNP) to achieve sensitivity
enhancement and to selectively enhance the NMR signal of the hydrophobic BTEB
moieties on the BCM surface. This allowed us to get more detailed structural information
about the BTEB–BCM multicomponent material.
author:
- first_name: Andreia S.
full_name: Monteiro, Andreia S.
last_name: Monteiro
- first_name: Marcos
full_name: Oliveira, Marcos
last_name: Oliveira
- first_name: Silvia
full_name: Santagneli, Silvia
last_name: Santagneli
- first_name: Carole
full_name: Carcel, Carole
last_name: Carcel
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
- first_name: Michel Wong Chi
full_name: Man, Michel Wong Chi
last_name: Man
- first_name: Hernane S.
full_name: Barud, Hernane S.
last_name: Barud
- first_name: Sidney J. L.
full_name: Ribeiro, Sidney J. L.
last_name: Ribeiro
citation:
ama: 'Monteiro AS, Oliveira M, Santagneli S, et al. Modification of Bacterial Cellulose
Membrane with 1,4-Bis(triethoxysilyl)benzene: A Thorough Physical–Chemical Characterization
Study. Journal of Physical Chemistry C. 2021;125(8):4498–4508. doi:10.1021/acs.jpcc.0c09837'
apa: 'Monteiro, A. S., Oliveira, M., Santagneli, S., Carcel, C., Gutmann, T., Buntkowsky,
G., Man, M. W. C., Barud, H. S., & Ribeiro, S. J. L. (2021). Modification
of Bacterial Cellulose Membrane with 1,4-Bis(triethoxysilyl)benzene: A Thorough
Physical–Chemical Characterization Study. Journal of Physical Chemistry C,
125(8), 4498–4508. https://doi.org/10.1021/acs.jpcc.0c09837'
bibtex: '@article{Monteiro_Oliveira_Santagneli_Carcel_Gutmann_Buntkowsky_Man_Barud_Ribeiro_2021,
title={Modification of Bacterial Cellulose Membrane with 1,4-Bis(triethoxysilyl)benzene:
A Thorough Physical–Chemical Characterization Study}, volume={125}, DOI={10.1021/acs.jpcc.0c09837},
number={8}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Monteiro, Andreia S. and Oliveira, Marcos and Santagneli, Silvia
and Carcel, Carole and Gutmann, Torsten and Buntkowsky, Gerd and Man, Michel Wong
Chi and Barud, Hernane S. and Ribeiro, Sidney J. L.}, year={2021}, pages={4498–4508}
}'
chicago: 'Monteiro, Andreia S., Marcos Oliveira, Silvia Santagneli, Carole Carcel,
Torsten Gutmann, Gerd Buntkowsky, Michel Wong Chi Man, Hernane S. Barud, and Sidney
J. L. Ribeiro. “Modification of Bacterial Cellulose Membrane with 1,4-Bis(Triethoxysilyl)Benzene:
A Thorough Physical–Chemical Characterization Study.” Journal of Physical Chemistry
C 125, no. 8 (2021): 4498–4508. https://doi.org/10.1021/acs.jpcc.0c09837.'
ieee: 'A. S. Monteiro et al., “Modification of Bacterial Cellulose Membrane
with 1,4-Bis(triethoxysilyl)benzene: A Thorough Physical–Chemical Characterization
Study,” Journal of Physical Chemistry C, vol. 125, no. 8, pp. 4498–4508,
2021, doi: 10.1021/acs.jpcc.0c09837.'
mla: 'Monteiro, Andreia S., et al. “Modification of Bacterial Cellulose Membrane
with 1,4-Bis(Triethoxysilyl)Benzene: A Thorough Physical–Chemical Characterization
Study.” Journal of Physical Chemistry C, vol. 125, no. 8, American Chemical
Society, 2021, pp. 4498–4508, doi:10.1021/acs.jpcc.0c09837.'
short: A.S. Monteiro, M. Oliveira, S. Santagneli, C. Carcel, T. Gutmann, G. Buntkowsky,
M.W.C. Man, H.S. Barud, S.J.L. Ribeiro, Journal of Physical Chemistry C 125 (2021)
4498–4508.
date_created: 2026-02-07T16:01:29Z
date_updated: 2026-02-17T16:15:10Z
doi: 10.1021/acs.jpcc.0c09837
extern: '1'
intvolume: ' 125'
issue: '8'
language:
- iso: eng
page: 4498–4508
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: 'Modification of Bacterial Cellulose Membrane with 1,4-Bis(triethoxysilyl)benzene:
A Thorough Physical–Chemical Characterization Study'
type: journal_article
user_id: '100715'
volume: 125
year: '2021'
...