---
_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. <i>iStR</i>. Published online 2021.
  apa: Hoppe, T., Müller, J., Wittek, K., &#38; Weinrich, A. (2021). Eine ökonomische
    Einordnung des öffentlichen Country-by-Country Reporting in der EU. <i>IStR</i>.
  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.”
    <i>IStR</i>, 2021.
  ieee: T. Hoppe, J. Müller, K. Wittek, and A. Weinrich, “Eine ökonomische Einordnung
    des öffentlichen Country-by-Country Reporting in der EU,” <i>iStR</i>, 2021.
  mla: Hoppe, Thomas, et al. “Eine Ökonomische Einordnung Des Öffentlichen Country-by-Country
    Reporting in Der EU.” <i>IStR</i>, 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. <i>Impulse zu Methoden in der deutschsprachigen Civic Engagement-Forschung</i>.
    ; 2021:15-32.'
  apa: Dopheide, F., Freitag, C., Koch, L., &#38; Struchholz, C. (2021). Gesellschaftliche
    Wirkprozesse des Civic Engagement qualitativ erforschen. In K.-H. Gerholz &#38;
    https://www.bildung-durch-verantwortung.de/wp-content/uploads/2021/03/Proceedings_AGForschung_ImpulseMethoden.pdf
    (Eds.), <i>Impulse zu Methoden in der deutschsprachigen Civic Engagement-Forschung</i>
    (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
    <i>Impulse zu Methoden in der deutschsprachigen Civic Engagement-Forschung</i>,
    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 <i>Impulse zu Methoden in der
    deutschsprachigen Civic Engagement-Forschung</i>, 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.” <i>Impulse zu Methoden in der deutschsprachigen Civic
    Engagement-Forschung</i>, 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. <i>Chemphyschem</i>. 2021;22(18):1907–1913. doi:<a href="https://doi.org/10.1002/cphc.202100334">10.1002/cphc.202100334</a>
  apa: Venel, F., Nagashima, H., Rankin, A. G. M., Anquetil, C., Klimavicius, V.,
    Gutmann, T., Buntkowsky, G., Derenne, S., Lafon, O., Huguet, A., &#38; Pourpoint,
    F. (2021). Characterization of Functional Groups in Estuarine Dissolved Organic
    Matter by DNP-enhanced 15N and 13C Solid-State NMR. <i>Chemphyschem</i>, <i>22</i>(18),
    1907–1913. <a href="https://doi.org/10.1002/cphc.202100334">https://doi.org/10.1002/cphc.202100334</a>
  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={<a
    href="https://doi.org/10.1002/cphc.202100334">10.1002/cphc.202100334</a>}, number={18},
    journal={Chemphyschem}, publisher={John Wiley &#38; 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.” <i>Chemphyschem</i> 22, no. 18 (2021): 1907–1913. <a
    href="https://doi.org/10.1002/cphc.202100334">https://doi.org/10.1002/cphc.202100334</a>.'
  ieee: 'F. Venel <i>et al.</i>, “Characterization of Functional Groups in Estuarine
    Dissolved Organic Matter by DNP-enhanced 15N and 13C Solid-State NMR,” <i>Chemphyschem</i>,
    vol. 22, no. 18, pp. 1907–1913, 2021, doi: <a href="https://doi.org/10.1002/cphc.202100334">10.1002/cphc.202100334</a>.'
  mla: Venel, Florian, et al. “Characterization of Functional Groups in Estuarine
    Dissolved Organic Matter by DNP-Enhanced 15N and 13C Solid-State NMR.” <i>Chemphyschem</i>,
    vol. 22, no. 18, John Wiley &#38; Sons, Ltd, 2021, pp. 1907–1913, doi:<a href="https://doi.org/10.1002/cphc.202100334">10.1002/cphc.202100334</a>.
  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. <i>Journal of Physical Chemistry C</i>. 2021;125(13):7287–7296.
    doi:<a href="https://doi.org/10.1021/acs.jpcc.1c01167">10.1021/acs.jpcc.1c01167</a>'
  apa: 'van der Zwan, K. P., Riedel, W., Aussenac, F., Reiter, C., Kreger, K., Schmidt,
    H.-W., Risse, T., Gutmann, T., &#38; 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. <i>Journal of Physical Chemistry
    C</i>, <i>125</i>(13), 7287–7296. <a href="https://doi.org/10.1021/acs.jpcc.1c01167">https://doi.org/10.1021/acs.jpcc.1c01167</a>'
  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={<a href="https://doi.org/10.1021/acs.jpcc.1c01167">10.1021/acs.jpcc.1c01167</a>},
    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.” <i>Journal
    of Physical Chemistry C</i> 125, no. 13 (2021): 7287–7296. <a href="https://doi.org/10.1021/acs.jpcc.1c01167">https://doi.org/10.1021/acs.jpcc.1c01167</a>.'
  ieee: 'K. P. van der Zwan <i>et al.</i>, “19F MAS DNP for Probing Molecules in Nanomolar
    Concentrations: Direct Polarization as Key for Solid-State NMR Spectra without
    Solvent and Matrix Signals,” <i>Journal of Physical Chemistry C</i>, vol. 125,
    no. 13, pp. 7287–7296, 2021, doi: <a href="https://doi.org/10.1021/acs.jpcc.1c01167">10.1021/acs.jpcc.1c01167</a>.'
  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.” <i>Journal of Physical Chemistry C</i>, vol. 125,
    no. 13, American Chemical Society, 2021, pp. 7287–7296, doi:<a href="https://doi.org/10.1021/acs.jpcc.1c01167">10.1021/acs.jpcc.1c01167</a>.'
  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. <i>Journal of Physical Chemistry C</i>. 2021;125(13):7178–7187. doi:<a
    href="https://doi.org/10.1021/acs.jpcc.1c00112">10.1021/acs.jpcc.1c00112</a>'
  apa: 'Srour, M., Hadjiali, S., Brunnengräber, K., Weidler, H., Xu, Y., Breitzke,
    H., Gutmann, T., &#38; Buntkowsky, G. (2021). A Novel Wilkinson’s Type Silica
    Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization
    Techniques. <i>Journal of Physical Chemistry C</i>, <i>125</i>(13), 7178–7187.
    <a href="https://doi.org/10.1021/acs.jpcc.1c00112">https://doi.org/10.1021/acs.jpcc.1c00112</a>'
  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={<a href="https://doi.org/10.1021/acs.jpcc.1c00112">10.1021/acs.jpcc.1c00112</a>},
    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.” <i>Journal of Physical Chemistry C</i> 125, no. 13 (2021): 7178–7187.
    <a href="https://doi.org/10.1021/acs.jpcc.1c00112">https://doi.org/10.1021/acs.jpcc.1c00112</a>.'
  ieee: 'M. Srour <i>et al.</i>, “A Novel Wilkinson’s Type Silica Supported Polymer
    Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques,” <i>Journal
    of Physical Chemistry C</i>, vol. 125, no. 13, pp. 7178–7187, 2021, doi: <a href="https://doi.org/10.1021/acs.jpcc.1c00112">10.1021/acs.jpcc.1c00112</a>.'
  mla: 'Srour, Mohamad, et al. “A Novel Wilkinson’s Type Silica Supported Polymer
    Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques.” <i>Journal
    of Physical Chemistry C</i>, vol. 125, no. 13, American Chemical Society, 2021,
    pp. 7178–7187, doi:<a href="https://doi.org/10.1021/acs.jpcc.1c00112">10.1021/acs.jpcc.1c00112</a>.'
  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. <i>Catalysis
    Science &#38; Technology</i>. 2021;11(13):4509–4520. doi:<a href="https://doi.org/10.1039/D0CY02476G">10.1039/D0CY02476G</a>
  apa: Rothermel, N., Limbach, H.-H., Del Rosal, I., Poteau, R., Mencia, G., Chaudret,
    B., Buntkowsky, G., &#38; Gutmann, T. (2021). Surface reactions of ammonia on
    ruthenium nanoparticles revealed by 15N and 13C solid-state NMR. <i>Catalysis
    Science &#38; Technology</i>, <i>11</i>(13), 4509–4520. <a href="https://doi.org/10.1039/D0CY02476G">https://doi.org/10.1039/D0CY02476G</a>
  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={<a href="https://doi.org/10.1039/D0CY02476G">10.1039/D0CY02476G</a>},
    number={13}, journal={Catalysis Science &#38; 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.” <i>Catalysis Science &#38; Technology</i> 11, no. 13 (2021): 4509–4520.
    <a href="https://doi.org/10.1039/D0CY02476G">https://doi.org/10.1039/D0CY02476G</a>.'
  ieee: 'N. Rothermel <i>et al.</i>, “Surface reactions of ammonia on ruthenium nanoparticles
    revealed by 15N and 13C solid-state NMR,” <i>Catalysis Science &#38; Technology</i>,
    vol. 11, no. 13, pp. 4509–4520, 2021, doi: <a href="https://doi.org/10.1039/D0CY02476G">10.1039/D0CY02476G</a>.'
  mla: Rothermel, Niels, et al. “Surface Reactions of Ammonia on Ruthenium Nanoparticles
    Revealed by 15N and 13C Solid-State NMR.” <i>Catalysis Science &#38; Technology</i>,
    vol. 11, no. 13, The Royal Society of Chemistry, 2021, pp. 4509–4520, doi:<a href="https://doi.org/10.1039/D0CY02476G">10.1039/D0CY02476G</a>.
  short: N. Rothermel, H.-H. Limbach, I. Del Rosal, R. Poteau, G. Mencia, B. Chaudret,
    G. Buntkowsky, T. Gutmann, Catalysis Science &#38; 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. <i>Inorganic
    Chemistry</i>. 2021;60(9):6239–6248. doi:<a href="https://doi.org/10.1021/acs.inorgchem.0c03712">10.1021/acs.inorgchem.0c03712</a>'
  apa: 'Pietruschka, D. S., Kumari, B., Buntkowsky, G., Gutmann, T., &#38; Mollenhauer,
    D. (2021). Mechanism of Heterogenization of Dirhodium Catalysts: Insights from
    DFT Calculations. <i>Inorganic Chemistry</i>, <i>60</i>(9), 6239–6248. <a href="https://doi.org/10.1021/acs.inorgchem.0c03712">https://doi.org/10.1021/acs.inorgchem.0c03712</a>'
  bibtex: '@article{Pietruschka_Kumari_Buntkowsky_Gutmann_Mollenhauer_2021, title={Mechanism
    of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations}, volume={60},
    DOI={<a href="https://doi.org/10.1021/acs.inorgchem.0c03712">10.1021/acs.inorgchem.0c03712</a>},
    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.” <i>Inorganic Chemistry</i> 60, no. 9 (2021):
    6239–6248. <a href="https://doi.org/10.1021/acs.inorgchem.0c03712">https://doi.org/10.1021/acs.inorgchem.0c03712</a>.'
  ieee: 'D. S. Pietruschka, B. Kumari, G. Buntkowsky, T. Gutmann, and D. Mollenhauer,
    “Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations,”
    <i>Inorganic Chemistry</i>, vol. 60, no. 9, pp. 6239–6248, 2021, doi: <a href="https://doi.org/10.1021/acs.inorgchem.0c03712">10.1021/acs.inorgchem.0c03712</a>.'
  mla: 'Pietruschka, Dennis S., et al. “Mechanism of Heterogenization of Dirhodium
    Catalysts: Insights from DFT Calculations.” <i>Inorganic Chemistry</i>, vol. 60,
    no. 9, American Chemical Society, 2021, pp. 6239–6248, doi:<a href="https://doi.org/10.1021/acs.inorgchem.0c03712">10.1021/acs.inorgchem.0c03712</a>.'
  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. <i>ChemBioChem</i>. 2021;22(5):855–860. doi:<a href="https://doi.org/10.1002/cbic.202000711">10.1002/cbic.202000711</a>
  apa: Ratajczyk, T., Buntkowsky, G., Gutmann, T., Fedorczyk, B., Mames, A., Pietrzak,
    M., Puzio, Z., &#38; Szkudlarek, P. G. (2021). Magnetic Resonance Signal Amplification
    by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal
    Growth Factor Receptors. <i>ChemBioChem</i>, <i>22</i>(5), 855–860. <a href="https://doi.org/10.1002/cbic.202000711">https://doi.org/10.1002/cbic.202000711</a>
  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={<a href="https://doi.org/10.1002/cbic.202000711">10.1002/cbic.202000711</a>},
    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.” <i>ChemBioChem</i> 22, no. 5 (2021): 855–860. <a href="https://doi.org/10.1002/cbic.202000711">https://doi.org/10.1002/cbic.202000711</a>.'
  ieee: 'T. Ratajczyk <i>et al.</i>, “Magnetic Resonance Signal Amplification by Reversible
    Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor
    Receptors,” <i>ChemBioChem</i>, vol. 22, no. 5, pp. 855–860, 2021, doi: <a href="https://doi.org/10.1002/cbic.202000711">10.1002/cbic.202000711</a>.'
  mla: Ratajczyk, T., et al. “Magnetic Resonance Signal Amplification by Reversible
    Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor
    Receptors.” <i>ChemBioChem</i>, vol. 22, no. 5, 2021, pp. 855–860, doi:<a href="https://doi.org/10.1002/cbic.202000711">10.1002/cbic.202000711</a>.
  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. <i>Physical Chemistry
    Chemical Physics</i>. 2021;23(22):12559–12568. doi:<a href="https://doi.org/10.1039/D1CP00985K">10.1039/D1CP00985K</a>
  apa: Oliveira, M., Herr, K., Brodrecht, M., Haro-Mares, N. B., Wissel, T., Klimavicius,
    V., Breitzke, H., Gutmann, T., &#38; Buntkowsky, G. (2021). Solvent-free dynamic
    nuclear polarization enhancements in organically modified mesoporous silica. <i>Physical
    Chemistry Chemical Physics</i>, <i>23</i>(22), 12559–12568. <a href="https://doi.org/10.1039/D1CP00985K">https://doi.org/10.1039/D1CP00985K</a>
  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={<a href="https://doi.org/10.1039/D1CP00985K">10.1039/D1CP00985K</a>},
    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.” <i>Physical Chemistry Chemical Physics</i> 23, no. 22 (2021):
    12559–12568. <a href="https://doi.org/10.1039/D1CP00985K">https://doi.org/10.1039/D1CP00985K</a>.'
  ieee: 'M. Oliveira <i>et al.</i>, “Solvent-free dynamic nuclear polarization enhancements
    in organically modified mesoporous silica,” <i>Physical Chemistry Chemical Physics</i>,
    vol. 23, no. 22, pp. 12559–12568, 2021, doi: <a href="https://doi.org/10.1039/D1CP00985K">10.1039/D1CP00985K</a>.'
  mla: Oliveira, Marcos, et al. “Solvent-Free Dynamic Nuclear Polarization Enhancements
    in Organically Modified Mesoporous Silica.” <i>Physical Chemistry Chemical Physics</i>,
    vol. 23, no. 22, The Royal Society of Chemistry, 2021, pp. 12559–12568, doi:<a
    href="https://doi.org/10.1039/D1CP00985K">10.1039/D1CP00985K</a>.
  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. <i>Journal of Physical Chemistry C</i>. 2021;125(8):4498–4508. doi:<a href="https://doi.org/10.1021/acs.jpcc.0c09837">10.1021/acs.jpcc.0c09837</a>'
  apa: 'Monteiro, A. S., Oliveira, M., Santagneli, S., Carcel, C., Gutmann, T., Buntkowsky,
    G., Man, M. W. C., Barud, H. S., &#38; Ribeiro, S. J. L. (2021). Modification
    of Bacterial Cellulose Membrane with 1,4-Bis(triethoxysilyl)benzene: A Thorough
    Physical–Chemical Characterization Study. <i>Journal of Physical Chemistry C</i>,
    <i>125</i>(8), 4498–4508. <a href="https://doi.org/10.1021/acs.jpcc.0c09837">https://doi.org/10.1021/acs.jpcc.0c09837</a>'
  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={<a href="https://doi.org/10.1021/acs.jpcc.0c09837">10.1021/acs.jpcc.0c09837</a>},
    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.” <i>Journal of Physical Chemistry
    C</i> 125, no. 8 (2021): 4498–4508. <a href="https://doi.org/10.1021/acs.jpcc.0c09837">https://doi.org/10.1021/acs.jpcc.0c09837</a>.'
  ieee: 'A. S. Monteiro <i>et al.</i>, “Modification of Bacterial Cellulose Membrane
    with 1,4-Bis(triethoxysilyl)benzene: A Thorough Physical–Chemical Characterization
    Study,” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 8, pp. 4498–4508,
    2021, doi: <a href="https://doi.org/10.1021/acs.jpcc.0c09837">10.1021/acs.jpcc.0c09837</a>.'
  mla: 'Monteiro, Andreia S., et al. “Modification of Bacterial Cellulose Membrane
    with 1,4-Bis(Triethoxysilyl)Benzene: A Thorough Physical–Chemical Characterization
    Study.” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 8, American Chemical
    Society, 2021, pp. 4498–4508, doi:<a href="https://doi.org/10.1021/acs.jpcc.0c09837">10.1021/acs.jpcc.0c09837</a>.'
  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'
...
---
_id: '64015'
abstract:
- lang: eng
  text: Periodate oxidation reaction occurring directly on chitin has been neglected
    in polysaccharide chemistry so far. Herein, we present the first direct alkaline
    periodate oxidation of chitin, which demonstrates at the same time a novel approach
    for the preparation of chitin nanocrystals (ChNCs). This oxidation is based on
    an unprecedented selective reaction of non-ordered domains of chitin by the dimeric
    orthoperiodate ions (H2I2O104−) as the major species in alkaline surroundings.
    Nearly 50 wt% of non-ordered regions are dissolved after sequential accelerated
    partial deacetylation, periodate oxidation and β-alkoxy fragmentation, which allows
    the isolation of up to 50 wt% of uniform anisotropic zwitterionic ChNCs.
author:
- first_name: Peiwen
  full_name: Liu, Peiwen
  last_name: Liu
- first_name: Huan
  full_name: Liu, Huan
  last_name: Liu
- first_name: Timmy
  full_name: Schäfer, Timmy
  last_name: Schäfer
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Holger
  full_name: Gibhardt, Holger
  last_name: Gibhardt
- first_name: Houjuan
  full_name: Qi, Houjuan
  last_name: Qi
- first_name: Lin
  full_name: Tian, Lin
  last_name: Tian
- first_name: Xizhou Cecily
  full_name: Zhang, Xizhou Cecily
  last_name: Zhang
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
- first_name: Kai
  full_name: Zhang, Kai
  last_name: Zhang
citation:
  ama: Liu P, Liu H, Schäfer T, et al. Unexpected selective alkaline periodate oxidation
    of chitin for the isolation of chitin nanocrystals. <i>Green Chemistry</i>. 2021;23(2):745–751.
    doi:<a href="https://doi.org/10.1039/D0GC04054A">10.1039/D0GC04054A</a>
  apa: Liu, P., Liu, H., Schäfer, T., Gutmann, T., Gibhardt, H., Qi, H., Tian, L.,
    Zhang, X. C., Buntkowsky, G., &#38; Zhang, K. (2021). Unexpected selective alkaline
    periodate oxidation of chitin for the isolation of chitin nanocrystals. <i>Green
    Chemistry</i>, <i>23</i>(2), 745–751. <a href="https://doi.org/10.1039/D0GC04054A">https://doi.org/10.1039/D0GC04054A</a>
  bibtex: '@article{Liu_Liu_Schäfer_Gutmann_Gibhardt_Qi_Tian_Zhang_Buntkowsky_Zhang_2021,
    title={Unexpected selective alkaline periodate oxidation of chitin for the isolation
    of chitin nanocrystals}, volume={23}, DOI={<a href="https://doi.org/10.1039/D0GC04054A">10.1039/D0GC04054A</a>},
    number={2}, journal={Green Chemistry}, publisher={The Royal Society of Chemistry},
    author={Liu, Peiwen and Liu, Huan and Schäfer, Timmy and Gutmann, Torsten and
    Gibhardt, Holger and Qi, Houjuan and Tian, Lin and Zhang, Xizhou Cecily and Buntkowsky,
    Gerd and Zhang, Kai}, year={2021}, pages={745–751} }'
  chicago: 'Liu, Peiwen, Huan Liu, Timmy Schäfer, Torsten Gutmann, Holger Gibhardt,
    Houjuan Qi, Lin Tian, Xizhou Cecily Zhang, Gerd Buntkowsky, and Kai Zhang. “Unexpected
    Selective Alkaline Periodate Oxidation of Chitin for the Isolation of Chitin Nanocrystals.”
    <i>Green Chemistry</i> 23, no. 2 (2021): 745–751. <a href="https://doi.org/10.1039/D0GC04054A">https://doi.org/10.1039/D0GC04054A</a>.'
  ieee: 'P. Liu <i>et al.</i>, “Unexpected selective alkaline periodate oxidation
    of chitin for the isolation of chitin nanocrystals,” <i>Green Chemistry</i>, vol.
    23, no. 2, pp. 745–751, 2021, doi: <a href="https://doi.org/10.1039/D0GC04054A">10.1039/D0GC04054A</a>.'
  mla: Liu, Peiwen, et al. “Unexpected Selective Alkaline Periodate Oxidation of Chitin
    for the Isolation of Chitin Nanocrystals.” <i>Green Chemistry</i>, vol. 23, no.
    2, The Royal Society of Chemistry, 2021, pp. 745–751, doi:<a href="https://doi.org/10.1039/D0GC04054A">10.1039/D0GC04054A</a>.
  short: P. Liu, H. Liu, T. Schäfer, T. Gutmann, H. Gibhardt, H. Qi, L. Tian, X.C.
    Zhang, G. Buntkowsky, K. Zhang, Green Chemistry 23 (2021) 745–751.
date_created: 2026-02-07T16:01:08Z
date_updated: 2026-02-17T16:15:12Z
doi: 10.1039/D0GC04054A
extern: '1'
intvolume: '        23'
issue: '2'
language:
- iso: eng
page: 745–751
publication: Green Chemistry
publisher: The Royal Society of Chemistry
status: public
title: Unexpected selective alkaline periodate oxidation of chitin for the isolation
  of chitin nanocrystals
type: journal_article
user_id: '100715'
volume: 23
year: '2021'
...
---
_id: '64006'
abstract:
- lang: eng
  text: Three chiral dirhodium coordination polymers Rh2–Ln (n = 1–3) have been synthesized
    via ligand exchange between dirhodium trifluoroacetate Rh2(TFA)4 and differently
    sized chiral dicarboxylic acids derived from l-tert-leucine. SEM images indicate
    that the Rh2–Ln (n = 1–3) polymers have a lamellar structure. XPS data demonstrate
    that the oxidation state of rhodium in the dirhodium nodes is maintained during
    the synthesis of the polymers. The coordination polymers have been further characterized
    by FTIR, 1H → 13C CP MAS NMR and 19F MAS NMR spectroscopy to prove the formation
    of polymers via ligand exchange. Although the quantitative 19F MAS NMR spectra
    reveal incomplete ligand substitution in the coordination polymers, these catalysts
    show excellent activity and selectivity in the asymmetric cyclopropanation reaction
    between styrene and diazooxindole. In particular, the enantioselectivity has been
    significantly improved compared with previously designed dirhodium coordination
    polymers, which were synthesized from aromatic dicarboxylic acids derived from
    l-phenylalanine. Meanwhile, the dirhodium polymers can be easily recycled five
    times without significant reduction in their catalytic efficiency.
author:
- first_name: Zhenzhong
  full_name: Li, Zhenzhong
  last_name: Li
- first_name: Lorenz
  full_name: Rösler, Lorenz
  last_name: Rösler
- first_name: Till
  full_name: Wissel, Till
  last_name: Wissel
- first_name: Hergen
  full_name: Breitzke, Hergen
  last_name: Breitzke
- first_name: Kathrin
  full_name: Hofmann, Kathrin
  last_name: Hofmann
- first_name: Hans-Heinrich
  full_name: Limbach, Hans-Heinrich
  last_name: Limbach
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: Li Z, Rösler L, Wissel T, et al. Design and characterization of novel dirhodium
    coordination polymers – the impact of ligand size on selectivity in asymmetric
    cyclopropanation. <i>Catalysis Science &#38; Technology</i>. 2021;11(10):3481–3492.
    doi:<a href="https://doi.org/10.1039/D1CY00109D">10.1039/D1CY00109D</a>
  apa: Li, Z., Rösler, L., Wissel, T., Breitzke, H., Hofmann, K., Limbach, H.-H.,
    Gutmann, T., &#38; Buntkowsky, G. (2021). Design and characterization of novel
    dirhodium coordination polymers – the impact of ligand size on selectivity in
    asymmetric cyclopropanation. <i>Catalysis Science &#38; Technology</i>, <i>11</i>(10),
    3481–3492. <a href="https://doi.org/10.1039/D1CY00109D">https://doi.org/10.1039/D1CY00109D</a>
  bibtex: '@article{Li_Rösler_Wissel_Breitzke_Hofmann_Limbach_Gutmann_Buntkowsky_2021,
    title={Design and characterization of novel dirhodium coordination polymers –
    the impact of ligand size on selectivity in asymmetric cyclopropanation}, volume={11},
    DOI={<a href="https://doi.org/10.1039/D1CY00109D">10.1039/D1CY00109D</a>}, number={10},
    journal={Catalysis Science &#38; Technology}, publisher={The Royal Society of
    Chemistry}, author={Li, Zhenzhong and Rösler, Lorenz and Wissel, Till and Breitzke,
    Hergen and Hofmann, Kathrin and Limbach, Hans-Heinrich and Gutmann, Torsten and
    Buntkowsky, Gerd}, year={2021}, pages={3481–3492} }'
  chicago: 'Li, Zhenzhong, Lorenz Rösler, Till Wissel, Hergen Breitzke, Kathrin Hofmann,
    Hans-Heinrich Limbach, Torsten Gutmann, and Gerd Buntkowsky. “Design and Characterization
    of Novel Dirhodium Coordination Polymers – the Impact of Ligand Size on Selectivity
    in Asymmetric Cyclopropanation.” <i>Catalysis Science &#38; Technology</i> 11,
    no. 10 (2021): 3481–3492. <a href="https://doi.org/10.1039/D1CY00109D">https://doi.org/10.1039/D1CY00109D</a>.'
  ieee: 'Z. Li <i>et al.</i>, “Design and characterization of novel dirhodium coordination
    polymers – the impact of ligand size on selectivity in asymmetric cyclopropanation,”
    <i>Catalysis Science &#38; Technology</i>, vol. 11, no. 10, pp. 3481–3492, 2021,
    doi: <a href="https://doi.org/10.1039/D1CY00109D">10.1039/D1CY00109D</a>.'
  mla: Li, Zhenzhong, et al. “Design and Characterization of Novel Dirhodium Coordination
    Polymers – the Impact of Ligand Size on Selectivity in Asymmetric Cyclopropanation.”
    <i>Catalysis Science &#38; Technology</i>, vol. 11, no. 10, The Royal Society
    of Chemistry, 2021, pp. 3481–3492, doi:<a href="https://doi.org/10.1039/D1CY00109D">10.1039/D1CY00109D</a>.
  short: Z. Li, L. Rösler, T. Wissel, H. Breitzke, K. Hofmann, H.-H. Limbach, T. Gutmann,
    G. Buntkowsky, Catalysis Science &#38; Technology 11 (2021) 3481–3492.
date_created: 2026-02-07T15:55:39Z
date_updated: 2026-02-17T16:15:33Z
doi: 10.1039/D1CY00109D
extern: '1'
intvolume: '        11'
issue: '10'
language:
- iso: eng
page: 3481–3492
publication: Catalysis Science & Technology
publication_identifier:
  issn:
  - 2044-4753
publisher: The Royal Society of Chemistry
status: public
title: Design and characterization of novel dirhodium coordination polymers – the
  impact of ligand size on selectivity in asymmetric cyclopropanation
type: journal_article
user_id: '100715'
volume: 11
year: '2021'
...
---
_id: '64005'
abstract:
- lang: eng
  text: A novel immobilized chiral dirhodium catalyst, Rh2(S-PTTL)3(S-PTTL-linker)∼SBA-15
    (8), has been prepared via click reaction of azide-groups on functionalized SBA-15
    with the dirhodium complex Rh2(S-PTTL)3(S-PTTL-alkyne) (6) containing an alkyne
    moiety. During the synthesis of this complex, one chiral ligand of the parent
    Rh2(S-PTTL)4 catalyst is exchanged with an analogous chiral ligand system containing
    an alkyne moiety, which to a great extent maintains the intrinsic catalytic performance
    of the catalyst. The heterogeneous dirhodium catalyst is characterized by FT-IR
    and 13C solid-state NMR to validate the successful immobilization. The catalytic
    performance of the heterogeneous catalyst 8 is investigated in the asymmetric
    cyclopropanation of 3-diazooxindole with different aryl alkenes that form spiro-cyclopropyloxindoles
    which serve as precursors for pharmaceuticals. The resulting heterogeneous catalyst
    shows high catalytic activity and significant enantioselectivity. Importantly,
    it can be readily recovered and reused at least four times without significant
    loss of its catalytic performance.
author:
- first_name: Zhenzhong
  full_name: Li, Zhenzhong
  last_name: Li
- first_name: Lorenz
  full_name: Rösler, Lorenz
  last_name: Rösler
- first_name: Till
  full_name: Wissel, Till
  last_name: Wissel
- 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: 'Li Z, Rösler L, Wissel T, Breitzke H, Gutmann T, Buntkowsky G. Immobilization
    of a chiral dirhodium catalyst on SBA-15 via click-chemistry: Application in the
    asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes. <i>Journal of
    CO2 Utilization</i>. 2021;52:101682. doi:<a href="https://doi.org/10.1016/j.jcou.2021.101682">10.1016/j.jcou.2021.101682</a>'
  apa: 'Li, Z., Rösler, L., Wissel, T., Breitzke, H., Gutmann, T., &#38; Buntkowsky,
    G. (2021). Immobilization of a chiral dirhodium catalyst on SBA-15 via click-chemistry:
    Application in the asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes.
    <i>Journal of CO2 Utilization</i>, <i>52</i>, 101682. <a href="https://doi.org/10.1016/j.jcou.2021.101682">https://doi.org/10.1016/j.jcou.2021.101682</a>'
  bibtex: '@article{Li_Rösler_Wissel_Breitzke_Gutmann_Buntkowsky_2021, title={Immobilization
    of a chiral dirhodium catalyst on SBA-15 via click-chemistry: Application in the
    asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes}, volume={52},
    DOI={<a href="https://doi.org/10.1016/j.jcou.2021.101682">10.1016/j.jcou.2021.101682</a>},
    journal={Journal of CO2 Utilization}, author={Li, Zhenzhong and Rösler, Lorenz
    and Wissel, Till and Breitzke, Hergen and Gutmann, Torsten and Buntkowsky, Gerd},
    year={2021}, pages={101682} }'
  chicago: 'Li, Zhenzhong, Lorenz Rösler, Till Wissel, Hergen Breitzke, Torsten Gutmann,
    and Gerd Buntkowsky. “Immobilization of a Chiral Dirhodium Catalyst on SBA-15
    via Click-Chemistry: Application in the Asymmetric Cyclopropanation of 3-Diazooxindole
    with Aryl Alkenes.” <i>Journal of CO2 Utilization</i> 52 (2021): 101682. <a href="https://doi.org/10.1016/j.jcou.2021.101682">https://doi.org/10.1016/j.jcou.2021.101682</a>.'
  ieee: 'Z. Li, L. Rösler, T. Wissel, H. Breitzke, T. Gutmann, and G. Buntkowsky,
    “Immobilization of a chiral dirhodium catalyst on SBA-15 via click-chemistry:
    Application in the asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes,”
    <i>Journal of CO2 Utilization</i>, vol. 52, p. 101682, 2021, doi: <a href="https://doi.org/10.1016/j.jcou.2021.101682">10.1016/j.jcou.2021.101682</a>.'
  mla: 'Li, Zhenzhong, et al. “Immobilization of a Chiral Dirhodium Catalyst on SBA-15
    via Click-Chemistry: Application in the Asymmetric Cyclopropanation of 3-Diazooxindole
    with Aryl Alkenes.” <i>Journal of CO2 Utilization</i>, vol. 52, 2021, p. 101682,
    doi:<a href="https://doi.org/10.1016/j.jcou.2021.101682">10.1016/j.jcou.2021.101682</a>.'
  short: Z. Li, L. Rösler, T. Wissel, H. Breitzke, T. Gutmann, G. Buntkowsky, Journal
    of CO2 Utilization 52 (2021) 101682.
date_created: 2026-02-07T15:55:18Z
date_updated: 2026-02-17T16:15:35Z
doi: 10.1016/j.jcou.2021.101682
extern: '1'
intvolume: '        52'
keyword:
- immobilized catalyst
- asymmetric cyclopropanation
- Chiral dirhodium
language:
- iso: eng
page: '101682'
publication: Journal of CO2 Utilization
status: public
title: 'Immobilization of a chiral dirhodium catalyst on SBA-15 via click-chemistry:
  Application in the asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes'
type: journal_article
user_id: '100715'
volume: 52
year: '2021'
...
---
_id: '63993'
abstract:
- lang: eng
  text: A synthetic strategy to β-silylphospholes with three methoxy, ethoxy, chloro,
    hydrido, or phenyl substituents at silicon has been developed, starting from trimethoxy,
    triethoxy, or triphenyl silyl substituted phenyl phosphanides and 1,4-diphenyl-1,3-butadiyne.
    These trifunctional silylphospholes were attached to the surface of uniform spheric
    silica particles (15 μm) and, for comparison, to a polyhedral silsesquioxane (POSS)–trisilanol
    as a molecular model to explore their luminescent properties in comparison with
    the free phospholes. Density functional theory calculations were performed to
    investigate any electronic perturbation of the phosphole system by the trifunctional
    silyl anchoring unit. For the immobilized phospholes, cross-polarization magic-angle-spinning
    NMR measurements (13C, 29Si, and 31P) were carried out to explore the bonding
    situation to the silica surface. Thermogravimetric analysis and X-ray photoelectron
    spectroscopy measurements were performed to approximate the amount of phospholes
    covering the silica surface. Identity and purity of all novel phospholes have
    been established with standard techniques (multinuclear NMR, mass spectrometry,
    and elemental analysis) and X-ray diffraction for the POSS derivative.
author:
- first_name: Dieter
  full_name: Klintuch, Dieter
  last_name: Klintuch
- first_name: Mark V.
  full_name: Höfler, Mark V.
  last_name: Höfler
- first_name: Till
  full_name: Wissel, Till
  last_name: Wissel
- first_name: Clemens
  full_name: Bruhn, Clemens
  last_name: Bruhn
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Rudolf
  full_name: Pietschnig, Rudolf
  last_name: Pietschnig
citation:
  ama: Klintuch D, Höfler MV, Wissel T, Bruhn C, Gutmann T, Pietschnig R. Trifunctional
    Silyl Groups as Anchoring Units in the Preparation of Luminescent Phosphole–Silica
    Hybrids. <i>Inorganic Chemistry</i>. 2021;60(18):14263–14274. doi:<a href="https://doi.org/10.1021/acs.inorgchem.1c01775">10.1021/acs.inorgchem.1c01775</a>
  apa: Klintuch, D., Höfler, M. V., Wissel, T., Bruhn, C., Gutmann, T., &#38; Pietschnig,
    R. (2021). Trifunctional Silyl Groups as Anchoring Units in the Preparation of
    Luminescent Phosphole–Silica Hybrids. <i>Inorganic Chemistry</i>, <i>60</i>(18),
    14263–14274. <a href="https://doi.org/10.1021/acs.inorgchem.1c01775">https://doi.org/10.1021/acs.inorgchem.1c01775</a>
  bibtex: '@article{Klintuch_Höfler_Wissel_Bruhn_Gutmann_Pietschnig_2021, title={Trifunctional
    Silyl Groups as Anchoring Units in the Preparation of Luminescent Phosphole–Silica
    Hybrids}, volume={60}, DOI={<a href="https://doi.org/10.1021/acs.inorgchem.1c01775">10.1021/acs.inorgchem.1c01775</a>},
    number={18}, journal={Inorganic Chemistry}, publisher={American Chemical Society},
    author={Klintuch, Dieter and Höfler, Mark V. and Wissel, Till and Bruhn, Clemens
    and Gutmann, Torsten and Pietschnig, Rudolf}, year={2021}, pages={14263–14274}
    }'
  chicago: 'Klintuch, Dieter, Mark V. Höfler, Till Wissel, Clemens Bruhn, Torsten
    Gutmann, and Rudolf Pietschnig. “Trifunctional Silyl Groups as Anchoring Units
    in the Preparation of Luminescent Phosphole–Silica Hybrids.” <i>Inorganic Chemistry</i>
    60, no. 18 (2021): 14263–14274. <a href="https://doi.org/10.1021/acs.inorgchem.1c01775">https://doi.org/10.1021/acs.inorgchem.1c01775</a>.'
  ieee: 'D. Klintuch, M. V. Höfler, T. Wissel, C. Bruhn, T. Gutmann, and R. Pietschnig,
    “Trifunctional Silyl Groups as Anchoring Units in the Preparation of Luminescent
    Phosphole–Silica Hybrids,” <i>Inorganic Chemistry</i>, vol. 60, no. 18, pp. 14263–14274,
    2021, doi: <a href="https://doi.org/10.1021/acs.inorgchem.1c01775">10.1021/acs.inorgchem.1c01775</a>.'
  mla: Klintuch, Dieter, et al. “Trifunctional Silyl Groups as Anchoring Units in
    the Preparation of Luminescent Phosphole–Silica Hybrids.” <i>Inorganic Chemistry</i>,
    vol. 60, no. 18, American Chemical Society, 2021, pp. 14263–14274, doi:<a href="https://doi.org/10.1021/acs.inorgchem.1c01775">10.1021/acs.inorgchem.1c01775</a>.
  short: D. Klintuch, M.V. Höfler, T. Wissel, C. Bruhn, T. Gutmann, R. Pietschnig,
    Inorganic Chemistry 60 (2021) 14263–14274.
date_created: 2026-02-07T15:47:54Z
date_updated: 2026-02-17T16:16:17Z
doi: 10.1021/acs.inorgchem.1c01775
extern: '1'
intvolume: '        60'
issue: '18'
language:
- iso: eng
page: 14263–14274
publication: Inorganic Chemistry
publisher: American Chemical Society
status: public
title: Trifunctional Silyl Groups as Anchoring Units in the Preparation of Luminescent
  Phosphole–Silica Hybrids
type: journal_article
user_id: '100715'
volume: 60
year: '2021'
...
---
_id: '63992'
abstract:
- lang: eng
  text: Solid-state NMR combined with dynamic nuclear polarization (DNP NMR) is used
    to study hydration processes in tricalcium silicate (Ca3SiO5, abbreviated as C3S)
    samples. The studied C3S samples have experienced early stage hydration (1–30
    h) and slow aging (9 years) processes. The appearance of Q3 and Q4 lines in the
    29Si MAS and 1H → 29Si CP MAS NMR spectra obtained for partly hydrated C3S samples
    indicated the formation of amorphous silica which corresponds to their carbonation,
    which was corroborated by complementary FTIR data. Significant DNP signal enhancements
    obtained for the studied samples allowed to further investigate the C3S carbonation
    process in detail employing the 1H → 29Si CP MAS FSLG HETCOR technique. Finally,
    DNP enhanced 1H → 13C CP MAS and 1H → 13C CP MAS FSLG HETCOR techniques enabled
    to directly observe the formation of carbonate moieties in partly hydrated C3S
    samples.
author:
- first_name: Vytautas
  full_name: Klimavicius, Vytautas
  last_name: Klimavicius
- first_name: Harald
  full_name: Hilbig, Harald
  last_name: Hilbig
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: Klimavicius V, Hilbig H, Gutmann T, Buntkowsky G. Direct Observation of Carbonate
    Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear Polarization
    Enhanced NMR Spectroscopy. <i>Journal of Physical Chemistry C</i>. 2021;125(13):7321–7328.
    doi:<a href="https://doi.org/10.1021/acs.jpcc.0c10382">10.1021/acs.jpcc.0c10382</a>
  apa: Klimavicius, V., Hilbig, H., Gutmann, T., &#38; Buntkowsky, G. (2021). Direct
    Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic
    Nuclear Polarization Enhanced NMR Spectroscopy. <i>Journal of Physical Chemistry
    C</i>, <i>125</i>(13), 7321–7328. <a href="https://doi.org/10.1021/acs.jpcc.0c10382">https://doi.org/10.1021/acs.jpcc.0c10382</a>
  bibtex: '@article{Klimavicius_Hilbig_Gutmann_Buntkowsky_2021, title={Direct Observation
    of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear
    Polarization Enhanced NMR Spectroscopy}, volume={125}, DOI={<a href="https://doi.org/10.1021/acs.jpcc.0c10382">10.1021/acs.jpcc.0c10382</a>},
    number={13}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
    Society}, author={Klimavicius, Vytautas and Hilbig, Harald and Gutmann, Torsten
    and Buntkowsky, Gerd}, year={2021}, pages={7321–7328} }'
  chicago: 'Klimavicius, Vytautas, Harald Hilbig, Torsten Gutmann, and Gerd Buntkowsky.
    “Direct Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate
    by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy.” <i>Journal of Physical
    Chemistry C</i> 125, no. 13 (2021): 7321–7328. <a href="https://doi.org/10.1021/acs.jpcc.0c10382">https://doi.org/10.1021/acs.jpcc.0c10382</a>.'
  ieee: 'V. Klimavicius, H. Hilbig, T. Gutmann, and G. Buntkowsky, “Direct Observation
    of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear
    Polarization Enhanced NMR Spectroscopy,” <i>Journal of Physical Chemistry C</i>,
    vol. 125, no. 13, pp. 7321–7328, 2021, doi: <a href="https://doi.org/10.1021/acs.jpcc.0c10382">10.1021/acs.jpcc.0c10382</a>.'
  mla: Klimavicius, Vytautas, et al. “Direct Observation of Carbonate Formation in
    Partly Hydrated Tricalcium Silicate by Dynamic Nuclear Polarization Enhanced NMR
    Spectroscopy.” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 13, American
    Chemical Society, 2021, pp. 7321–7328, doi:<a href="https://doi.org/10.1021/acs.jpcc.0c10382">10.1021/acs.jpcc.0c10382</a>.
  short: V. Klimavicius, H. Hilbig, T. Gutmann, G. Buntkowsky, Journal of Physical
    Chemistry C 125 (2021) 7321–7328.
date_created: 2026-02-07T15:47:39Z
date_updated: 2026-02-17T16:16:25Z
doi: 10.1021/acs.jpcc.0c10382
extern: '1'
intvolume: '       125'
issue: '13'
language:
- iso: eng
page: 7321–7328
publication: Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
publisher: American Chemical Society
status: public
title: Direct Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate
  by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy
type: journal_article
user_id: '100715'
volume: 125
year: '2021'
...
---
_id: '63982'
abstract:
- lang: eng
  text: Polyethylene glycol (PEG) is gaining interest as an alternative green solvent
    in chemical synthesis and processing. This report presents density and viscosity
    data from 293.15 K to 358.15 K as well as self-diffusion coefficient data from
    298.15 K to 358.15 K for oligomers of PEG from di- to nonaethylene glycol. The
    results were obtained by extrapolation from measurement series where water, the
    most common impurity in PEGs, was intentionally added in several increments. The
    obtained results are carefully compared to literature data, which are widely available
    only for density and viscosity, and only for the lower oligomers. Densities are
    found to be linearly dependent on temperatures for all studied oligomers. The
    temperature dependence of viscosity and self-diffusion coefficients show only
    slight deviations from the Arrhenius equation over the investigated temperature
    range. The activation energies obtained from the viscosity data agree well with
    the activation energies from the self-diffusion coefficient data and appear to
    be linearly dependent with respect to the number of ethylene oxide repeat units
    in the PEG oligomer. This linearity combined with the observation that the pre-exponential
    factor appears to be the same for all studied oligomers may serve as a tool to
    estimate viscosities and self-diffusion coefficients for higher oligomers within
    the investigated temperature range. The densities of the oligomers all fall within
    a rather narrow range without a clear trend in homologous series.
author:
- first_name: Markus M.
  full_name: Hoffmann, Markus M.
  last_name: Hoffmann
- first_name: Rachel H.
  full_name: Horowitz, Rachel H.
  last_name: Horowitz
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: Hoffmann MM, Horowitz RH, Gutmann T, Buntkowsky G. Densities, Viscosities,
    and Self-Diffusion Coefficients of Ethylene Glycol Oligomers. <i>Journal of Chemical
    and Engineering Data</i>. 2021;66(6):2480–2500. doi:<a href="https://doi.org/10.1021/acs.jced.1c00101">10.1021/acs.jced.1c00101</a>
  apa: Hoffmann, M. M., Horowitz, R. H., Gutmann, T., &#38; Buntkowsky, G. (2021).
    Densities, Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol Oligomers.
    <i>Journal of Chemical and Engineering Data</i>, <i>66</i>(6), 2480–2500. <a href="https://doi.org/10.1021/acs.jced.1c00101">https://doi.org/10.1021/acs.jced.1c00101</a>
  bibtex: '@article{Hoffmann_Horowitz_Gutmann_Buntkowsky_2021, title={Densities, Viscosities,
    and Self-Diffusion Coefficients of Ethylene Glycol Oligomers}, volume={66}, DOI={<a
    href="https://doi.org/10.1021/acs.jced.1c00101">10.1021/acs.jced.1c00101</a>},
    number={6}, journal={Journal of Chemical and Engineering Data}, publisher={American
    Chemical Society}, author={Hoffmann, Markus M. and Horowitz, Rachel H. and Gutmann,
    Torsten and Buntkowsky, Gerd}, year={2021}, pages={2480–2500} }'
  chicago: 'Hoffmann, Markus M., Rachel H. Horowitz, Torsten Gutmann, and Gerd Buntkowsky.
    “Densities, Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol Oligomers.”
    <i>Journal of Chemical and Engineering Data</i> 66, no. 6 (2021): 2480–2500. <a
    href="https://doi.org/10.1021/acs.jced.1c00101">https://doi.org/10.1021/acs.jced.1c00101</a>.'
  ieee: 'M. M. Hoffmann, R. H. Horowitz, T. Gutmann, and G. Buntkowsky, “Densities,
    Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol Oligomers,” <i>Journal
    of Chemical and Engineering Data</i>, vol. 66, no. 6, pp. 2480–2500, 2021, doi:
    <a href="https://doi.org/10.1021/acs.jced.1c00101">10.1021/acs.jced.1c00101</a>.'
  mla: Hoffmann, Markus M., et al. “Densities, Viscosities, and Self-Diffusion Coefficients
    of Ethylene Glycol Oligomers.” <i>Journal of Chemical and Engineering Data</i>,
    vol. 66, no. 6, American Chemical Society, 2021, pp. 2480–2500, doi:<a href="https://doi.org/10.1021/acs.jced.1c00101">10.1021/acs.jced.1c00101</a>.
  short: M.M. Hoffmann, R.H. Horowitz, T. Gutmann, G. Buntkowsky, Journal of Chemical
    and Engineering Data 66 (2021) 2480–2500.
date_created: 2026-02-07T15:44:34Z
date_updated: 2026-02-17T16:16:55Z
doi: 10.1021/acs.jced.1c00101
extern: '1'
intvolume: '        66'
issue: '6'
language:
- iso: eng
page: 2480–2500
publication: Journal of Chemical and Engineering Data
publisher: American Chemical Society
status: public
title: Densities, Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol
  Oligomers
type: journal_article
user_id: '100715'
volume: 66
year: '2021'
...
---
_id: '63986'
abstract:
- lang: eng
  text: 13C and 15N solid-state nuclear magnetic resonance (NMR) combined with dynamic
    nuclear polarization (DNP) is used to investigate the structure of dye-doped biopolymer-based
    materials that can be used in amplified spontaneous emission (ASE) experiments.
    By comparing calligraphic paper prepared from cellulose and scaffolds prepared
    from chitosan as substrates, differences in the interactions of the carrier material
    with the dye molecule Calcofluor White are obtained. These are most probably induced
    by structural changes of the carrier material due to its interaction with water
    forming hydrogen bonds. Such structural differences may explain the obtained variation
    of the emission wavelength of Calcofluor White doped on these substrates in ASE
    experiments.
author:
- first_name: Mark V.
  full_name: Höfler, Mark V.
  last_name: Höfler
- first_name: Nicolai
  full_name: Hoinka, Nicolai
  last_name: Hoinka
- first_name: Timmy
  full_name: Schäfer, Timmy
  last_name: Schäfer
- first_name: Marilia
  full_name: Horn, Marilia
  last_name: Horn
- first_name: Fabien
  full_name: Aussenac, Fabien
  last_name: Aussenac
- first_name: Thomas
  full_name: Fuhrmann-Lieker, Thomas
  last_name: Fuhrmann-Lieker
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
citation:
  ama: Höfler MV, Hoinka N, Schäfer T, et al. Light Amplification Materials Based
    on Biopolymers Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State
    Dynamic Nuclear Polarization. <i>Journal of Physical Chemistry C</i>. 2021;125(39):21550–21558.
    doi:<a href="https://doi.org/10.1021/acs.jpcc.1c06737">10.1021/acs.jpcc.1c06737</a>
  apa: Höfler, M. V., Hoinka, N., Schäfer, T., Horn, M., Aussenac, F., Fuhrmann-Lieker,
    T., &#38; Gutmann, T. (2021). Light Amplification Materials Based on Biopolymers
    Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State Dynamic
    Nuclear Polarization. <i>Journal of Physical Chemistry C</i>, <i>125</i>(39),
    21550–21558. <a href="https://doi.org/10.1021/acs.jpcc.1c06737">https://doi.org/10.1021/acs.jpcc.1c06737</a>
  bibtex: '@article{Höfler_Hoinka_Schäfer_Horn_Aussenac_Fuhrmann-Lieker_Gutmann_2021,
    title={Light Amplification Materials Based on Biopolymers Doped with Dye Molecules—Structural
    Insights from 15N and 13C Solid-State Dynamic Nuclear Polarization}, volume={125},
    DOI={<a href="https://doi.org/10.1021/acs.jpcc.1c06737">10.1021/acs.jpcc.1c06737</a>},
    number={39}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
    Society}, author={Höfler, Mark V. and Hoinka, Nicolai and Schäfer, Timmy and Horn,
    Marilia and Aussenac, Fabien and Fuhrmann-Lieker, Thomas and Gutmann, Torsten},
    year={2021}, pages={21550–21558} }'
  chicago: 'Höfler, Mark V., Nicolai Hoinka, Timmy Schäfer, Marilia Horn, Fabien Aussenac,
    Thomas Fuhrmann-Lieker, and Torsten Gutmann. “Light Amplification Materials Based
    on Biopolymers Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State
    Dynamic Nuclear Polarization.” <i>Journal of Physical Chemistry C</i> 125, no.
    39 (2021): 21550–21558. <a href="https://doi.org/10.1021/acs.jpcc.1c06737">https://doi.org/10.1021/acs.jpcc.1c06737</a>.'
  ieee: 'M. V. Höfler <i>et al.</i>, “Light Amplification Materials Based on Biopolymers
    Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State Dynamic
    Nuclear Polarization,” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 39,
    pp. 21550–21558, 2021, doi: <a href="https://doi.org/10.1021/acs.jpcc.1c06737">10.1021/acs.jpcc.1c06737</a>.'
  mla: Höfler, Mark V., et al. “Light Amplification Materials Based on Biopolymers
    Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State Dynamic
    Nuclear Polarization.” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 39,
    American Chemical Society, 2021, pp. 21550–21558, doi:<a href="https://doi.org/10.1021/acs.jpcc.1c06737">10.1021/acs.jpcc.1c06737</a>.
  short: M.V. Höfler, N. Hoinka, T. Schäfer, M. Horn, F. Aussenac, T. Fuhrmann-Lieker,
    T. Gutmann, Journal of Physical Chemistry C 125 (2021) 21550–21558.
date_created: 2026-02-07T15:45:54Z
date_updated: 2026-02-17T16:16:48Z
doi: 10.1021/acs.jpcc.1c06737
extern: '1'
intvolume: '       125'
issue: '39'
language:
- iso: eng
page: 21550–21558
publication: Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
publisher: American Chemical Society
status: public
title: Light Amplification Materials Based on Biopolymers Doped with Dye Molecules—Structural
  Insights from 15N and 13C Solid-State Dynamic Nuclear Polarization
type: journal_article
user_id: '100715'
volume: 125
year: '2021'
...
---
_id: '63973'
abstract:
- lang: eng
  text: A novel specific spin-labeling strategy for bioactive molecules is presented
    for eptifibatide (integrilin) an antiplatelet aggregation inhibitor, which derives
    from the venom of certain rattlesnakes. By specifically labeling the disulfide
    bridge this molecule becomes accessible for analytical techniques such as Electron
    Paramagnetic Resonance (EPR) and solid state Dynamic Nuclear Polarization (DNP).
    The necessary spin-label was synthesized and inserted into the disulfide bridge
    of eptifibatide via reductive followed by insertion by a double Michael addition
    under physiological conditions. This procedure is universally applicable for disulfide
    containing biomolecules and is expected to preserve their tertiary structure with
    minimal change due to the small size of the label and restoring of the previous
    disulfide connection. HPLC and MS analysis show the successful introduction of
    the spin label and EPR spectroscopy confirms its activity. DNP-enhanced solid
    state NMR experiments show signal enhancement factors of up to 19 in 13C CP MAS
    experiments which corresponds to time saving factors of up to 361. This clearly
    shows the high potential of our new spin labeling strategy for the introduction
    of site selective radical spin labels into biomolecules and biosolids without
    compromising its conformational integrity for structural investigations employing
    solid-state DNP or advanced EPR techniques.
author:
- first_name: Kevin
  full_name: Herr, Kevin
  last_name: Herr
- first_name: Max
  full_name: Fleckenstein, Max
  last_name: Fleckenstein
- first_name: Martin
  full_name: Brodrecht, Martin
  last_name: Brodrecht
- first_name: Mark V.
  full_name: Höfler, Mark V.
  last_name: Höfler
- first_name: Henrike
  full_name: Heise, Henrike
  last_name: Heise
- first_name: Fabien
  full_name: Aussenac, Fabien
  last_name: Aussenac
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Michael
  full_name: Reggelin, Michael
  last_name: Reggelin
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: Herr K, Fleckenstein M, Brodrecht M, et al. A novel strategy for site selective
    spin-labeling to investigate bioactive entities by DNP and EPR spectroscopy. <i>Scientific
    Reports</i>. 2021;11(1):13714. doi:<a href="https://doi.org/10.1038/s41598-021-92975-6">10.1038/s41598-021-92975-6</a>
  apa: Herr, K., Fleckenstein, M., Brodrecht, M., Höfler, M. V., Heise, H., Aussenac,
    F., Gutmann, T., Reggelin, M., &#38; Buntkowsky, G. (2021). A novel strategy for
    site selective spin-labeling to investigate bioactive entities by DNP and EPR
    spectroscopy. <i>Scientific Reports</i>, <i>11</i>(1), 13714. <a href="https://doi.org/10.1038/s41598-021-92975-6">https://doi.org/10.1038/s41598-021-92975-6</a>
  bibtex: '@article{Herr_Fleckenstein_Brodrecht_Höfler_Heise_Aussenac_Gutmann_Reggelin_Buntkowsky_2021,
    title={A novel strategy for site selective spin-labeling to investigate bioactive
    entities by DNP and EPR spectroscopy}, volume={11}, DOI={<a href="https://doi.org/10.1038/s41598-021-92975-6">10.1038/s41598-021-92975-6</a>},
    number={1}, journal={Scientific Reports}, author={Herr, Kevin and Fleckenstein,
    Max and Brodrecht, Martin and Höfler, Mark V. and Heise, Henrike and Aussenac,
    Fabien and Gutmann, Torsten and Reggelin, Michael and Buntkowsky, Gerd}, year={2021},
    pages={13714} }'
  chicago: 'Herr, Kevin, Max Fleckenstein, Martin Brodrecht, Mark V. Höfler, Henrike
    Heise, Fabien Aussenac, Torsten Gutmann, Michael Reggelin, and Gerd Buntkowsky.
    “A Novel Strategy for Site Selective Spin-Labeling to Investigate Bioactive Entities
    by DNP and EPR Spectroscopy.” <i>Scientific Reports</i> 11, no. 1 (2021): 13714.
    <a href="https://doi.org/10.1038/s41598-021-92975-6">https://doi.org/10.1038/s41598-021-92975-6</a>.'
  ieee: 'K. Herr <i>et al.</i>, “A novel strategy for site selective spin-labeling
    to investigate bioactive entities by DNP and EPR spectroscopy,” <i>Scientific
    Reports</i>, vol. 11, no. 1, p. 13714, 2021, doi: <a href="https://doi.org/10.1038/s41598-021-92975-6">10.1038/s41598-021-92975-6</a>.'
  mla: Herr, Kevin, et al. “A Novel Strategy for Site Selective Spin-Labeling to Investigate
    Bioactive Entities by DNP and EPR Spectroscopy.” <i>Scientific Reports</i>, vol.
    11, no. 1, 2021, p. 13714, doi:<a href="https://doi.org/10.1038/s41598-021-92975-6">10.1038/s41598-021-92975-6</a>.
  short: K. Herr, M. Fleckenstein, M. Brodrecht, M.V. Höfler, H. Heise, F. Aussenac,
    T. Gutmann, M. Reggelin, G. Buntkowsky, Scientific Reports 11 (2021) 13714.
date_created: 2026-02-07T15:41:36Z
date_updated: 2026-02-17T16:17:24Z
doi: 10.1038/s41598-021-92975-6
extern: '1'
intvolume: '        11'
issue: '1'
language:
- iso: eng
page: '13714'
publication: Scientific Reports
status: public
title: A novel strategy for site selective spin-labeling to investigate bioactive
  entities by DNP and EPR spectroscopy
type: journal_article
user_id: '100715'
volume: 11
year: '2021'
...
---
_id: '63947'
abstract:
- lang: eng
  text: The interactions of molecules such as surfactants with solid interfaces are
    not sufficiently understood since their study is challenging with standard spectroscopic
    methods. In this work, octanol-d17 as a model system confined in the mesopores
    of SBA-15 is studied by variable temperature deuterium solid-state NMR, and the
    findings are compared to those of bulk octanol-d17. The magic angle spinning (MAS)
    as well as the static, nonspinning case, are investigated, showing that the described
    observations are independent of the applied NMR method. The 2H NMR spectra of
    both the bulk and the confined octanol-d17 show a large and a small quadrupolar
    Pake pattern below the melting point, suggesting a rigid conformation of the observed
    molecules with a 3-fold jump motion of the terminal CD3-group. Apart from the
    melting of the solid, no other phase transition is observed for either sample.
    The confined octanol-d17 forms a pore solid, exhibiting a melting point 38 K lower
    than bulk octanol-d17. The interactions of the molecule with the mesoporous SBA-15
    bring about a distribution of activation energies for the melting process, resulting
    in a gradual melting process.
author:
- first_name: Sonja C.
  full_name: Döller, Sonja C.
  last_name: Döller
- 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: Hergen
  full_name: Breitzke, Hergen
  last_name: Breitzke
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Markus
  full_name: Hoffmann, Markus
  last_name: Hoffmann
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: Döller SC, Brodrecht M, Haro Mares NB, et al. Deuterium NMR Studies of the
    Solid–Liquid Phase Transition of Octanol-d17 Confined in SBA-15. <i>Journal of
    Physical Chemistry C</i>. 2021;125(45):25155–25164. doi:<a href="https://doi.org/10.1021/acs.jpcc.1c05873">10.1021/acs.jpcc.1c05873</a>
  apa: Döller, S. C., Brodrecht, M., Haro Mares, N. B., Breitzke, H., Gutmann, T.,
    Hoffmann, M., &#38; Buntkowsky, G. (2021). Deuterium NMR Studies of the Solid–Liquid
    Phase Transition of Octanol-d17 Confined in SBA-15. <i>Journal of Physical Chemistry
    C</i>, <i>125</i>(45), 25155–25164. <a href="https://doi.org/10.1021/acs.jpcc.1c05873">https://doi.org/10.1021/acs.jpcc.1c05873</a>
  bibtex: '@article{Döller_Brodrecht_Haro Mares_Breitzke_Gutmann_Hoffmann_Buntkowsky_2021,
    title={Deuterium NMR Studies of the Solid–Liquid Phase Transition of Octanol-d17
    Confined in SBA-15}, volume={125}, DOI={<a href="https://doi.org/10.1021/acs.jpcc.1c05873">10.1021/acs.jpcc.1c05873</a>},
    number={45}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
    Society}, author={Döller, Sonja C. and Brodrecht, Martin and Haro Mares, Nadia
    B. and Breitzke, Hergen and Gutmann, Torsten and Hoffmann, Markus and Buntkowsky,
    Gerd}, year={2021}, pages={25155–25164} }'
  chicago: 'Döller, Sonja C., Martin Brodrecht, Nadia B. Haro Mares, Hergen Breitzke,
    Torsten Gutmann, Markus Hoffmann, and Gerd Buntkowsky. “Deuterium NMR Studies
    of the Solid–Liquid Phase Transition of Octanol-D17 Confined in SBA-15.” <i>Journal
    of Physical Chemistry C</i> 125, no. 45 (2021): 25155–25164. <a href="https://doi.org/10.1021/acs.jpcc.1c05873">https://doi.org/10.1021/acs.jpcc.1c05873</a>.'
  ieee: 'S. C. Döller <i>et al.</i>, “Deuterium NMR Studies of the Solid–Liquid Phase
    Transition of Octanol-d17 Confined in SBA-15,” <i>Journal of Physical Chemistry
    C</i>, vol. 125, no. 45, pp. 25155–25164, 2021, doi: <a href="https://doi.org/10.1021/acs.jpcc.1c05873">10.1021/acs.jpcc.1c05873</a>.'
  mla: Döller, Sonja C., et al. “Deuterium NMR Studies of the Solid–Liquid Phase Transition
    of Octanol-D17 Confined in SBA-15.” <i>Journal of Physical Chemistry C</i>, vol.
    125, no. 45, American Chemical Society, 2021, pp. 25155–25164, doi:<a href="https://doi.org/10.1021/acs.jpcc.1c05873">10.1021/acs.jpcc.1c05873</a>.
  short: S.C. Döller, M. Brodrecht, N.B. Haro Mares, H. Breitzke, T. Gutmann, M. Hoffmann,
    G. Buntkowsky, Journal of Physical Chemistry C 125 (2021) 25155–25164.
date_created: 2026-02-07T09:12:35Z
date_updated: 2026-02-17T16:18:28Z
doi: 10.1021/acs.jpcc.1c05873
extern: '1'
intvolume: '       125'
issue: '45'
language:
- iso: eng
page: 25155–25164
publication: Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
publisher: American Chemical Society
status: public
title: Deuterium NMR Studies of the Solid–Liquid Phase Transition of Octanol-d17 Confined
  in SBA-15
type: journal_article
user_id: '100715'
volume: 125
year: '2021'
...
---
_id: '64275'
abstract:
- lang: eng
  text: "<jats:title>Abstract</jats:title>\r\n               <jats:p>We explain by
    elementary means why the existence of a discrete series representation\r\nof a
    real reductive group <jats:italic>G</jats:italic> implies the existence of a compact
    Cartan subgroup of <jats:italic>G</jats:italic>. The presented approach has the
    potential to generalize to real spherical spaces.</jats:p>"
author:
- first_name: Bernhard
  full_name: Krötz, Bernhard
  last_name: Krötz
- first_name: Job J.
  full_name: Kuit, Job J.
  last_name: Kuit
- first_name: Eric M.
  full_name: Opdam, Eric M.
  last_name: Opdam
- first_name: Henrik
  full_name: Schlichtkrull, Henrik
  last_name: Schlichtkrull
citation:
  ama: Krötz B, Kuit JJ, Opdam EM, Schlichtkrull H. Ellipticity and discrete series.
    <i>Journal für die reine und angewandte Mathematik (Crelles Journal)</i>. 2021;2022(782):109-119.
    doi:<a href="https://doi.org/10.1515/crelle-2021-0063">10.1515/crelle-2021-0063</a>
  apa: Krötz, B., Kuit, J. J., Opdam, E. M., &#38; Schlichtkrull, H. (2021). Ellipticity
    and discrete series. <i>Journal Für Die Reine Und Angewandte Mathematik (Crelles
    Journal)</i>, <i>2022</i>(782), 109–119. <a href="https://doi.org/10.1515/crelle-2021-0063">https://doi.org/10.1515/crelle-2021-0063</a>
  bibtex: '@article{Krötz_Kuit_Opdam_Schlichtkrull_2021, title={Ellipticity and discrete
    series}, volume={2022}, DOI={<a href="https://doi.org/10.1515/crelle-2021-0063">10.1515/crelle-2021-0063</a>},
    number={782}, journal={Journal für die reine und angewandte Mathematik (Crelles
    Journal)}, publisher={Walter de Gruyter GmbH}, author={Krötz, Bernhard and Kuit,
    Job J. and Opdam, Eric M. and Schlichtkrull, Henrik}, year={2021}, pages={109–119}
    }'
  chicago: 'Krötz, Bernhard, Job J. Kuit, Eric M. Opdam, and Henrik Schlichtkrull.
    “Ellipticity and Discrete Series.” <i>Journal Für Die Reine Und Angewandte Mathematik
    (Crelles Journal)</i> 2022, no. 782 (2021): 109–19. <a href="https://doi.org/10.1515/crelle-2021-0063">https://doi.org/10.1515/crelle-2021-0063</a>.'
  ieee: 'B. Krötz, J. J. Kuit, E. M. Opdam, and H. Schlichtkrull, “Ellipticity and
    discrete series,” <i>Journal für die reine und angewandte Mathematik (Crelles
    Journal)</i>, vol. 2022, no. 782, pp. 109–119, 2021, doi: <a href="https://doi.org/10.1515/crelle-2021-0063">10.1515/crelle-2021-0063</a>.'
  mla: Krötz, Bernhard, et al. “Ellipticity and Discrete Series.” <i>Journal Für Die
    Reine Und Angewandte Mathematik (Crelles Journal)</i>, vol. 2022, no. 782, Walter
    de Gruyter GmbH, 2021, pp. 109–19, doi:<a href="https://doi.org/10.1515/crelle-2021-0063">10.1515/crelle-2021-0063</a>.
  short: B. Krötz, J.J. Kuit, E.M. Opdam, H. Schlichtkrull, Journal Für Die Reine
    Und Angewandte Mathematik (Crelles Journal) 2022 (2021) 109–119.
date_created: 2026-02-19T13:27:22Z
date_updated: 2026-02-19T13:27:34Z
doi: 10.1515/crelle-2021-0063
intvolume: '      2022'
issue: '782'
language:
- iso: eng
page: 109-119
publication: Journal für die reine und angewandte Mathematik (Crelles Journal)
publication_identifier:
  issn:
  - 0075-4102
  - 1435-5345
publication_status: published
publisher: Walter de Gruyter GmbH
status: public
title: Ellipticity and discrete series
type: journal_article
user_id: '52730'
volume: 2022
year: '2021'
...
