---
_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: '64037'
abstract:
- lang: eng
  text: Cross-linked thermosets are investigated by C-13 solid-state nuclear magnetic
    resonance (NMR) spectroscopy to determine their structure and to distinguish important
    epoxy resins and hardening agents. In addition to the epoxy resin and hardening
    agent, the identification of phosphorus-containing flame retardants is demonstrated
    by P-31 solid-state NMR. These studies provide a spectral database for routine
    use, which is finally applied to analyze commercial products containing an unknown
    multicomponent system.
author:
- first_name: T.
  full_name: Schäfer, T.
  last_name: Schäfer
- first_name: G.
  full_name: Buntkowsky, G.
  last_name: Buntkowsky
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
citation:
  ama: Schäfer T, Buntkowsky G, Gutmann T. Solid-State Nuclear Magnetic Resonance
    as a Versatile Tool To Identify the Main Chemical Components of Epoxy-Based Thermosets.
    <i>ACS Omega</i>. 2020;5(10):5412–5420. doi:<a href="https://doi.org/10.1021/acsomega.9b04482">10.1021/acsomega.9b04482</a>
  apa: Schäfer, T., Buntkowsky, G., &#38; Gutmann, T. (2020). Solid-State Nuclear
    Magnetic Resonance as a Versatile Tool To Identify the Main Chemical Components
    of Epoxy-Based Thermosets. <i>ACS Omega</i>, <i>5</i>(10), 5412–5420. <a href="https://doi.org/10.1021/acsomega.9b04482">https://doi.org/10.1021/acsomega.9b04482</a>
  bibtex: '@article{Schäfer_Buntkowsky_Gutmann_2020, title={Solid-State Nuclear Magnetic
    Resonance as a Versatile Tool To Identify the Main Chemical Components of Epoxy-Based
    Thermosets}, volume={5}, DOI={<a href="https://doi.org/10.1021/acsomega.9b04482">10.1021/acsomega.9b04482</a>},
    number={10}, journal={ACS Omega}, author={Schäfer, T. and Buntkowsky, G. and Gutmann,
    Torsten}, year={2020}, pages={5412–5420} }'
  chicago: 'Schäfer, T., G. Buntkowsky, and Torsten Gutmann. “Solid-State Nuclear
    Magnetic Resonance as a Versatile Tool To Identify the Main Chemical Components
    of Epoxy-Based Thermosets.” <i>ACS Omega</i> 5, no. 10 (2020): 5412–5420. <a href="https://doi.org/10.1021/acsomega.9b04482">https://doi.org/10.1021/acsomega.9b04482</a>.'
  ieee: 'T. Schäfer, G. Buntkowsky, and T. Gutmann, “Solid-State Nuclear Magnetic
    Resonance as a Versatile Tool To Identify the Main Chemical Components of Epoxy-Based
    Thermosets,” <i>ACS Omega</i>, vol. 5, no. 10, pp. 5412–5420, 2020, doi: <a href="https://doi.org/10.1021/acsomega.9b04482">10.1021/acsomega.9b04482</a>.'
  mla: Schäfer, T., et al. “Solid-State Nuclear Magnetic Resonance as a Versatile
    Tool To Identify the Main Chemical Components of Epoxy-Based Thermosets.” <i>ACS
    Omega</i>, vol. 5, no. 10, 2020, pp. 5412–5420, doi:<a href="https://doi.org/10.1021/acsomega.9b04482">10.1021/acsomega.9b04482</a>.
  short: T. Schäfer, G. Buntkowsky, T. Gutmann, ACS Omega 5 (2020) 5412–5420.
date_created: 2026-02-07T16:08:30Z
date_updated: 2026-02-17T16:13:36Z
doi: 10.1021/acsomega.9b04482
extern: '1'
intvolume: '         5'
issue: '10'
language:
- iso: eng
page: 5412–5420
publication: ACS Omega
status: public
title: Solid-State Nuclear Magnetic Resonance as a Versatile Tool To Identify the
  Main Chemical Components of Epoxy-Based Thermosets
type: journal_article
user_id: '100715'
volume: 5
year: '2020'
...
---
_id: '64004'
abstract:
- lang: eng
  text: Abstract A facile approach is reported for the preparation of dirhodium coordination
    polymers [Rh2(L1)2]n (Rh2-L1) and [Rh2(L2)2]n (Rh2-L2; L1=N,N’-(pyromellitoyl)-bis-L-phenylalanine
    diacid anion, L2=bis-N,N’-(L-phenylalanyl) naphthalene-1,4,5,8-tetracarboxylate
    diimide) from chiral dicarboxylic acids by ligand exchange. Multiple techniques
    including FTIR, XPS, and 1H→13C CP MAS NMR spectroscopy reveal the formation of
    the coordination polymers. 19F MAS NMR was utilized to investigate the remaining
    TFA groups in the obtained coordination polymers, and demonstrated near-quantitative
    ligand exchange. DR-UV-vis and XPS confirm the oxidation state of the Rh center
    and that the Rh-single bond in the dirhodium node is maintained in the synthesis
    of Rh2-L1 and Rh2-L2. Both coordination polymers exhibit excellent catalytic performance
    in the asymmetric cyclopropanation reaction between styrene and diazooxindole.
    The catalysts can be easily recycled and reused 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: Kevin
  full_name: Herr, Kevin
  last_name: Herr
- first_name: Martin
  full_name: Brodrecht, Martin
  last_name: Brodrecht
- 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, Herr K, et al. Dirhodium Coordination Polymers for Asymmetric
    Cyclopropanation of Diazooxindoles with Olefins: Synthesis and Spectroscopic Analysis.
    <i>ChemPlusChem</i>. 2020;85(8):1737–1746. doi:<a href="https://doi.org/10.1002/cplu.202000421">10.1002/cplu.202000421</a>'
  apa: 'Li, Z., Rösler, L., Herr, K., Brodrecht, M., Breitzke, H., Hofmann, K., Limbach,
    H.-H., Gutmann, T., &#38; Buntkowsky, G. (2020). Dirhodium Coordination Polymers
    for Asymmetric Cyclopropanation of Diazooxindoles with Olefins: Synthesis and
    Spectroscopic Analysis. <i>ChemPlusChem</i>, <i>85</i>(8), 1737–1746. <a href="https://doi.org/10.1002/cplu.202000421">https://doi.org/10.1002/cplu.202000421</a>'
  bibtex: '@article{Li_Rösler_Herr_Brodrecht_Breitzke_Hofmann_Limbach_Gutmann_Buntkowsky_2020,
    title={Dirhodium Coordination Polymers for Asymmetric Cyclopropanation of Diazooxindoles
    with Olefins: Synthesis and Spectroscopic Analysis}, volume={85}, DOI={<a href="https://doi.org/10.1002/cplu.202000421">10.1002/cplu.202000421</a>},
    number={8}, journal={ChemPlusChem}, author={Li, Zhenzhong and Rösler, Lorenz and
    Herr, Kevin and Brodrecht, Martin and Breitzke, Hergen and Hofmann, Kathrin and
    Limbach, Hans-Heinrich and Gutmann, Torsten and Buntkowsky, Gerd}, year={2020},
    pages={1737–1746} }'
  chicago: 'Li, Zhenzhong, Lorenz Rösler, Kevin Herr, Martin Brodrecht, Hergen Breitzke,
    Kathrin Hofmann, Hans-Heinrich Limbach, Torsten Gutmann, and Gerd Buntkowsky.
    “Dirhodium Coordination Polymers for Asymmetric Cyclopropanation of Diazooxindoles
    with Olefins: Synthesis and Spectroscopic Analysis.” <i>ChemPlusChem</i> 85, no.
    8 (2020): 1737–1746. <a href="https://doi.org/10.1002/cplu.202000421">https://doi.org/10.1002/cplu.202000421</a>.'
  ieee: 'Z. Li <i>et al.</i>, “Dirhodium Coordination Polymers for Asymmetric Cyclopropanation
    of Diazooxindoles with Olefins: Synthesis and Spectroscopic Analysis,” <i>ChemPlusChem</i>,
    vol. 85, no. 8, pp. 1737–1746, 2020, doi: <a href="https://doi.org/10.1002/cplu.202000421">10.1002/cplu.202000421</a>.'
  mla: 'Li, Zhenzhong, et al. “Dirhodium Coordination Polymers for Asymmetric Cyclopropanation
    of Diazooxindoles with Olefins: Synthesis and Spectroscopic Analysis.” <i>ChemPlusChem</i>,
    vol. 85, no. 8, 2020, pp. 1737–1746, doi:<a href="https://doi.org/10.1002/cplu.202000421">10.1002/cplu.202000421</a>.'
  short: Z. Li, L. Rösler, K. Herr, M. Brodrecht, H. Breitzke, K. Hofmann, H.-H. Limbach,
    T. Gutmann, G. Buntkowsky, ChemPlusChem 85 (2020) 1737–1746.
date_created: 2026-02-07T15:54:32Z
date_updated: 2026-02-17T16:15:37Z
doi: 10.1002/cplu.202000421
extern: '1'
intvolume: '        85'
issue: '8'
language:
- iso: eng
page: 1737–1746
publication: ChemPlusChem
publication_identifier:
  issn:
  - 2192-6506
status: public
title: 'Dirhodium Coordination Polymers for Asymmetric Cyclopropanation of Diazooxindoles
  with Olefins: Synthesis and Spectroscopic Analysis'
type: journal_article
user_id: '100715'
volume: 85
year: '2020'
...
---
_id: '63985'
abstract:
- lang: eng
  text: An experimental study is presented for the reverse micellar system of 15%
    by mass polydisperse hexaethylene glycol monodecylether (C10E6) in cyclohexane
    with varying amounts of added water up to 4% by mass. Measurements of viscosity
    and self-diffusion coefficients were taken as a function of temperature between
    10 and 45 °C at varying sample water loads but fixed C10E6/cyclohexane composition.
    The results were used to inspect the validity of the Stokes–Einstein equation
    for this system. Unreasonably small reverse average micelle radii and aggregation
    numbers were obtained with the Stokes–Einstein equation, but reasonable values
    for these quantities were obtained using the ratio of surfactant-to-cyclohexane
    self-diffusion coefficients. While bulk viscosity increased with increasing water
    load, a concurrent expected decrease of self-diffusion coefficient was only observed
    for the surfactant and water but not for cyclohexane, which showed independence
    of water load. Moreover, a spread of self-diffusion coefficients was observed
    for the protons associated with the ethylene oxide repeat unit in samples with
    polydisperse C10E6 but not in a sample with monodisperse C10E6. These findings
    were interpreted by the presence of reverse micelle to reverse micelle hopping
    motions that with higher water load become increasingly selective toward C10E6
    molecules with short ethylene oxide repeat units, while those with long ethylene
    oxide repeat units remain trapped within the reverse micelle because of the increased
    hydrogen bonding interactions with the water inside the growing core of the reverse
    micelle. Despite the observed breakdown of the Stokes–Einstein equation, the temperature
    dependence of the viscosities and self-diffusion coefficients was found to follow
    Arrhenius behavior over the investigated range of temperatures.
author:
- first_name: Markus M.
  full_name: Hoffmann, Markus M.
  last_name: Hoffmann
- first_name: Matthew D.
  full_name: Too, Matthew D.
  last_name: Too
- first_name: Michael
  full_name: Vogel, Michael
  last_name: Vogel
- 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, Too MD, Vogel M, Gutmann T, Buntkowsky G. Breakdown of the Stokes–Einstein
    Equation for Solutions of Water in Oil Reverse Micelles. <i>Journal of Physical
    Chemistry B</i>. 2020;124(41):9115–9125. doi:<a href="https://doi.org/10.1021/acs.jpcb.0c06124">10.1021/acs.jpcb.0c06124</a>
  apa: Hoffmann, M. M., Too, M. D., Vogel, M., Gutmann, T., &#38; Buntkowsky, G. (2020).
    Breakdown of the Stokes–Einstein Equation for Solutions of Water in Oil Reverse
    Micelles. <i>Journal of Physical Chemistry B</i>, <i>124</i>(41), 9115–9125. <a
    href="https://doi.org/10.1021/acs.jpcb.0c06124">https://doi.org/10.1021/acs.jpcb.0c06124</a>
  bibtex: '@article{Hoffmann_Too_Vogel_Gutmann_Buntkowsky_2020, title={Breakdown of
    the Stokes–Einstein Equation for Solutions of Water in Oil Reverse Micelles},
    volume={124}, DOI={<a href="https://doi.org/10.1021/acs.jpcb.0c06124">10.1021/acs.jpcb.0c06124</a>},
    number={41}, journal={Journal of Physical Chemistry B}, publisher={American Chemical
    Society}, author={Hoffmann, Markus M. and Too, Matthew D. and Vogel, Michael and
    Gutmann, Torsten and Buntkowsky, Gerd}, year={2020}, pages={9115–9125} }'
  chicago: 'Hoffmann, Markus M., Matthew D. Too, Michael Vogel, Torsten Gutmann, and
    Gerd Buntkowsky. “Breakdown of the Stokes–Einstein Equation for Solutions of Water
    in Oil Reverse Micelles.” <i>Journal of Physical Chemistry B</i> 124, no. 41 (2020):
    9115–9125. <a href="https://doi.org/10.1021/acs.jpcb.0c06124">https://doi.org/10.1021/acs.jpcb.0c06124</a>.'
  ieee: 'M. M. Hoffmann, M. D. Too, M. Vogel, T. Gutmann, and G. Buntkowsky, “Breakdown
    of the Stokes–Einstein Equation for Solutions of Water in Oil Reverse Micelles,”
    <i>Journal of Physical Chemistry B</i>, vol. 124, no. 41, pp. 9115–9125, 2020,
    doi: <a href="https://doi.org/10.1021/acs.jpcb.0c06124">10.1021/acs.jpcb.0c06124</a>.'
  mla: Hoffmann, Markus M., et al. “Breakdown of the Stokes–Einstein Equation for
    Solutions of Water in Oil Reverse Micelles.” <i>Journal of Physical Chemistry
    B</i>, vol. 124, no. 41, American Chemical Society, 2020, pp. 9115–9125, doi:<a
    href="https://doi.org/10.1021/acs.jpcb.0c06124">10.1021/acs.jpcb.0c06124</a>.
  short: M.M. Hoffmann, M.D. Too, M. Vogel, T. Gutmann, G. Buntkowsky, Journal of
    Physical Chemistry B 124 (2020) 9115–9125.
date_created: 2026-02-07T15:45:38Z
date_updated: 2026-02-17T16:16:50Z
doi: 10.1021/acs.jpcb.0c06124
extern: '1'
intvolume: '       124'
issue: '41'
language:
- iso: eng
page: 9115–9125
publication: Journal of Physical Chemistry B
publisher: American Chemical Society
status: public
title: Breakdown of the Stokes–Einstein Equation for Solutions of Water in Oil Reverse
  Micelles
type: journal_article
user_id: '100715'
volume: 124
year: '2020'
...
---
_id: '63976'
abstract:
- lang: eng
  text: Mesoporous silica materials (SBA-15) with surfaces modified with aminopropyltriethoxysilane
    (APTES) of two different surface coverages were synthesized, and their structural
    pore characteristics were analyzed. These two mesoporous silica materials were
    impregnated with various solutions of radicals in a nonionic surfactant solvent.
    Differential scanning calorimetry (DSC) analysis of the impregnated mesoporous
    silica materials confirmed that the surfactant solutions were confined into the
    pores. Dynamic nuclear polarization (DNP)-enhanced solid-state 13C magic-angle
    spinning (MAS) NMR spectra recorded for these impregnated mesoporous silica materials
    showed the presence of superimposed spectra from direct and indirect channel polarization
    transfer processes not only for the confined surfactant solvent but also for the
    APTES surface modification. The observation of the indirect channel resonances
    implies that the surfactant solvents as well as the APTES exhibit molecular motions
    with correlation times on the order of or faster than the inverse Larmor frequency.
    Such motions are unexpected at the experimental temperature conditions of ∼120
    K in particular for the immobilized APTES. Spectral line widths and intensities
    of the observed 13C MAS NMR spectra were sensitive to the specific combination
    of the radical, surfactant solvent, and APTES surface coverage. One particular
    combination showed identical widths and intensities for the direct and the oppositely
    phased indirect channel resonances, resulting in a blank spectrum. The differences
    in line widths and intensities are discussed with respect to the structural organization
    of the polarizing agent and surfactant within the pores and the complex interplay
    of intermolecular interactions between these constituents.
author:
- first_name: Markus M.
  full_name: Hoffmann, Markus M.
  last_name: Hoffmann
- first_name: Sarah
  full_name: Bothe, Sarah
  last_name: Bothe
- first_name: Martin
  full_name: Brodrecht, Martin
  last_name: Brodrecht
- first_name: Vytautas
  full_name: Klimavicius, Vytautas
  last_name: Klimavicius
- first_name: Nadia B.
  full_name: Haro-Mares, Nadia B.
  last_name: Haro-Mares
- 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, Bothe S, Brodrecht M, et al. Direct and Indirect Dynamic Nuclear
    Polarization Transfer Observed in Mesoporous Materials Impregnated with Nonionic
    Surfactant Solutions of Polar Polarizing Agents. <i>Journal of Physical Chemistry
    C</i>. 2020;124(9):5145–5156. doi:<a href="https://doi.org/10.1021/acs.jpcc.9b10504">10.1021/acs.jpcc.9b10504</a>
  apa: Hoffmann, M. M., Bothe, S., Brodrecht, M., Klimavicius, V., Haro-Mares, N.
    B., Gutmann, T., &#38; Buntkowsky, G. (2020). Direct and Indirect Dynamic Nuclear
    Polarization Transfer Observed in Mesoporous Materials Impregnated with Nonionic
    Surfactant Solutions of Polar Polarizing Agents. <i>Journal of Physical Chemistry
    C</i>, <i>124</i>(9), 5145–5156. <a href="https://doi.org/10.1021/acs.jpcc.9b10504">https://doi.org/10.1021/acs.jpcc.9b10504</a>
  bibtex: '@article{Hoffmann_Bothe_Brodrecht_Klimavicius_Haro-Mares_Gutmann_Buntkowsky_2020,
    title={Direct and Indirect Dynamic Nuclear Polarization Transfer Observed in Mesoporous
    Materials Impregnated with Nonionic Surfactant Solutions of Polar Polarizing Agents},
    volume={124}, DOI={<a href="https://doi.org/10.1021/acs.jpcc.9b10504">10.1021/acs.jpcc.9b10504</a>},
    number={9}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
    Society}, author={Hoffmann, Markus M. and Bothe, Sarah and Brodrecht, Martin and
    Klimavicius, Vytautas and Haro-Mares, Nadia B. and Gutmann, Torsten and Buntkowsky,
    Gerd}, year={2020}, pages={5145–5156} }'
  chicago: 'Hoffmann, Markus M., Sarah Bothe, Martin Brodrecht, Vytautas Klimavicius,
    Nadia B. Haro-Mares, Torsten Gutmann, and Gerd Buntkowsky. “Direct and Indirect
    Dynamic Nuclear Polarization Transfer Observed in Mesoporous Materials Impregnated
    with Nonionic Surfactant Solutions of Polar Polarizing Agents.” <i>Journal of
    Physical Chemistry C</i> 124, no. 9 (2020): 5145–5156. <a href="https://doi.org/10.1021/acs.jpcc.9b10504">https://doi.org/10.1021/acs.jpcc.9b10504</a>.'
  ieee: 'M. M. Hoffmann <i>et al.</i>, “Direct and Indirect Dynamic Nuclear Polarization
    Transfer Observed in Mesoporous Materials Impregnated with Nonionic Surfactant
    Solutions of Polar Polarizing Agents,” <i>Journal of Physical Chemistry C</i>,
    vol. 124, no. 9, pp. 5145–5156, 2020, doi: <a href="https://doi.org/10.1021/acs.jpcc.9b10504">10.1021/acs.jpcc.9b10504</a>.'
  mla: Hoffmann, Markus M., et al. “Direct and Indirect Dynamic Nuclear Polarization
    Transfer Observed in Mesoporous Materials Impregnated with Nonionic Surfactant
    Solutions of Polar Polarizing Agents.” <i>Journal of Physical Chemistry C</i>,
    vol. 124, no. 9, American Chemical Society, 2020, pp. 5145–5156, doi:<a href="https://doi.org/10.1021/acs.jpcc.9b10504">10.1021/acs.jpcc.9b10504</a>.
  short: M.M. Hoffmann, S. Bothe, M. Brodrecht, V. Klimavicius, N.B. Haro-Mares, T.
    Gutmann, G. Buntkowsky, Journal of Physical Chemistry C 124 (2020) 5145–5156.
date_created: 2026-02-07T15:42:36Z
date_updated: 2026-02-17T16:17:17Z
doi: 10.1021/acs.jpcc.9b10504
extern: '1'
intvolume: '       124'
issue: '9'
language:
- iso: eng
page: 5145–5156
publication: Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
publisher: American Chemical Society
status: public
title: Direct and Indirect Dynamic Nuclear Polarization Transfer Observed in Mesoporous
  Materials Impregnated with Nonionic Surfactant Solutions of Polar Polarizing Agents
type: journal_article
user_id: '100715'
volume: 124
year: '2020'
...
---
_id: '63954'
abstract:
- lang: eng
  text: We propose a mild and versatile synthesis protocol based on N-hydroxysuccinimide-activated
    esters for the introduction of new functionalities to cellulose, using as starting
    point established protocols for the tosylation of cellulose and its subsequent
    reaction with a diamine linker. As a proof of concept, we describe the functionalization
    of microcrystalline cellulose with a N-hydroxysuccinimide-activated ester of benzophenone,
    a photoreactive functional group. Irradiation of the final product with UV light
    yields a self-standing polymer film and is expected to result in cross-linking
    among cellulose chains. To monitor structural changes at the molecular level,
    each functionalization step is characterized by a multinuclear solid-state NMR
    approach. DNP-enhanced 15N CP MAS NMR experiments reveal the formation of the
    amide bond to the photoreactive linker and deliver further information about the
    binding situation of nitrogen-containing groups in these materials. The flexible
    synthesis protocol described here can be easily extended to a broad range of other
    functionalities of interest, both for the cellulose and macromolecular research.
author:
- first_name: Pedro B.
  full_name: Groszewicz, Pedro B.
  last_name: Groszewicz
- first_name: Pedro
  full_name: Mendes, Pedro
  last_name: Mendes
- first_name: Bharti
  full_name: Kumari, Bharti
  last_name: Kumari
- first_name: Jonas
  full_name: Lins, Jonas
  last_name: Lins
- first_name: Markus
  full_name: Biesalski, Markus
  last_name: Biesalski
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: 'Groszewicz PB, Mendes P, Kumari B, et al. N-Hydroxysuccinimide-activated esters
    as a functionalization agent for amino cellulose: synthesis and solid-state NMR
    characterization. <i>Cellulose</i>. 2020;27:1239–1254. doi:<a href="https://doi.org/10.1007/s10570-019-02864-5">10.1007/s10570-019-02864-5</a>'
  apa: 'Groszewicz, P. B., Mendes, P., Kumari, B., Lins, J., Biesalski, M., Gutmann,
    T., &#38; Buntkowsky, G. (2020). N-Hydroxysuccinimide-activated esters as a functionalization
    agent for amino cellulose: synthesis and solid-state NMR characterization. <i>Cellulose</i>,
    <i>27</i>, 1239–1254. <a href="https://doi.org/10.1007/s10570-019-02864-5">https://doi.org/10.1007/s10570-019-02864-5</a>'
  bibtex: '@article{Groszewicz_Mendes_Kumari_Lins_Biesalski_Gutmann_Buntkowsky_2020,
    title={N-Hydroxysuccinimide-activated esters as a functionalization agent for
    amino cellulose: synthesis and solid-state NMR characterization}, volume={27},
    DOI={<a href="https://doi.org/10.1007/s10570-019-02864-5">10.1007/s10570-019-02864-5</a>},
    journal={Cellulose}, author={Groszewicz, Pedro B. and Mendes, Pedro and Kumari,
    Bharti and Lins, Jonas and Biesalski, Markus and Gutmann, Torsten and Buntkowsky,
    Gerd}, year={2020}, pages={1239–1254} }'
  chicago: 'Groszewicz, Pedro B., Pedro Mendes, Bharti Kumari, Jonas Lins, Markus
    Biesalski, Torsten Gutmann, and Gerd Buntkowsky. “N-Hydroxysuccinimide-Activated
    Esters as a Functionalization Agent for Amino Cellulose: Synthesis and Solid-State
    NMR Characterization.” <i>Cellulose</i> 27 (2020): 1239–1254. <a href="https://doi.org/10.1007/s10570-019-02864-5">https://doi.org/10.1007/s10570-019-02864-5</a>.'
  ieee: 'P. B. Groszewicz <i>et al.</i>, “N-Hydroxysuccinimide-activated esters as
    a functionalization agent for amino cellulose: synthesis and solid-state NMR characterization,”
    <i>Cellulose</i>, vol. 27, pp. 1239–1254, 2020, doi: <a href="https://doi.org/10.1007/s10570-019-02864-5">10.1007/s10570-019-02864-5</a>.'
  mla: 'Groszewicz, Pedro B., et al. “N-Hydroxysuccinimide-Activated Esters as a Functionalization
    Agent for Amino Cellulose: Synthesis and Solid-State NMR Characterization.” <i>Cellulose</i>,
    vol. 27, 2020, pp. 1239–1254, doi:<a href="https://doi.org/10.1007/s10570-019-02864-5">10.1007/s10570-019-02864-5</a>.'
  short: P.B. Groszewicz, P. Mendes, B. Kumari, J. Lins, M. Biesalski, T. Gutmann,
    G. Buntkowsky, Cellulose 27 (2020) 1239–1254.
date_created: 2026-02-07T15:35:03Z
date_updated: 2026-02-17T16:18:08Z
doi: 10.1007/s10570-019-02864-5
extern: '1'
intvolume: '        27'
language:
- iso: eng
page: 1239–1254
publication: Cellulose
publication_identifier:
  issn:
  - 0969-0239
status: public
title: 'N-Hydroxysuccinimide-activated esters as a functionalization agent for amino
  cellulose: synthesis and solid-state NMR characterization'
type: journal_article
user_id: '100715'
volume: 27
year: '2020'
...
---
_id: '63953'
abstract:
- lang: eng
  text: Most porous polymers are notoriously hard to characterize due to their amorphous
    and completely insoluble nature. On the other hand, they are an interesting class
    of materials for sorption, catalytic, and electrode applications, thus they warrant
    in-depth studies. In this contribution, we elaborate on the possibilities that
    dynamic nuclear polarization offers towards the investigation of the structure
    of porous polymers. We discuss the advantages and disadvantages of this technique
    in the investigation of model polymers.
author:
- first_name: Sven
  full_name: Grätz, Sven
  last_name: Grätz
- first_name: Marcos
  full_name: Olivera Junior, Marcos
  last_name: Olivera Junior
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Lars
  full_name: Borchardt, Lars
  last_name: Borchardt
citation:
  ama: Grätz S, Olivera Junior M, Gutmann T, Borchardt L. A comprehensive approach
    for the characterization of porous polymers using 13C and 15N dynamic nuclear
    polarization NMR spectroscopy. <i>Physical Chemistry Chemical Physics</i>. 2020;22(40):23307–23314.
    doi:<a href="https://doi.org/10.1039/D0CP04010J">10.1039/D0CP04010J</a>
  apa: Grätz, S., Olivera Junior, M., Gutmann, T., &#38; Borchardt, L. (2020). A comprehensive
    approach for the characterization of porous polymers using 13C and 15N dynamic
    nuclear polarization NMR spectroscopy. <i>Physical Chemistry Chemical Physics</i>,
    <i>22</i>(40), 23307–23314. <a href="https://doi.org/10.1039/D0CP04010J">https://doi.org/10.1039/D0CP04010J</a>
  bibtex: '@article{Grätz_Olivera Junior_Gutmann_Borchardt_2020, title={A comprehensive
    approach for the characterization of porous polymers using 13C and 15N dynamic
    nuclear polarization NMR spectroscopy}, volume={22}, DOI={<a href="https://doi.org/10.1039/D0CP04010J">10.1039/D0CP04010J</a>},
    number={40}, journal={Physical Chemistry Chemical Physics}, publisher={The Royal
    Society of Chemistry}, author={Grätz, Sven and Olivera Junior, Marcos and Gutmann,
    Torsten and Borchardt, Lars}, year={2020}, pages={23307–23314} }'
  chicago: 'Grätz, Sven, Marcos Olivera Junior, Torsten Gutmann, and Lars Borchardt.
    “A Comprehensive Approach for the Characterization of Porous Polymers Using 13C
    and 15N Dynamic Nuclear Polarization NMR Spectroscopy.” <i>Physical Chemistry
    Chemical Physics</i> 22, no. 40 (2020): 23307–23314. <a href="https://doi.org/10.1039/D0CP04010J">https://doi.org/10.1039/D0CP04010J</a>.'
  ieee: 'S. Grätz, M. Olivera Junior, T. Gutmann, and L. Borchardt, “A comprehensive
    approach for the characterization of porous polymers using 13C and 15N dynamic
    nuclear polarization NMR spectroscopy,” <i>Physical Chemistry Chemical Physics</i>,
    vol. 22, no. 40, pp. 23307–23314, 2020, doi: <a href="https://doi.org/10.1039/D0CP04010J">10.1039/D0CP04010J</a>.'
  mla: Grätz, Sven, et al. “A Comprehensive Approach for the Characterization of Porous
    Polymers Using 13C and 15N Dynamic Nuclear Polarization NMR Spectroscopy.” <i>Physical
    Chemistry Chemical Physics</i>, vol. 22, no. 40, The Royal Society of Chemistry,
    2020, pp. 23307–23314, doi:<a href="https://doi.org/10.1039/D0CP04010J">10.1039/D0CP04010J</a>.
  short: S. Grätz, M. Olivera Junior, T. Gutmann, L. Borchardt, Physical Chemistry
    Chemical Physics 22 (2020) 23307–23314.
date_created: 2026-02-07T15:34:42Z
date_updated: 2026-02-17T16:18:14Z
doi: 10.1039/D0CP04010J
extern: '1'
intvolume: '        22'
issue: '40'
language:
- iso: eng
page: 23307–23314
publication: Physical Chemistry Chemical Physics
publisher: The Royal Society of Chemistry
status: public
title: A comprehensive approach for the characterization of porous polymers using
  13C and 15N dynamic nuclear polarization NMR spectroscopy
type: journal_article
user_id: '100715'
volume: 22
year: '2020'
...
---
_id: '64035'
abstract:
- lang: eng
  text: Trityl and nitroxide radicals are connected by pi-topologically controlled
    aryl linkers, generating genuinely g-engineered biradicals. They serve as a typical
    model for biradicals in which the exchange (J) and hyperfine interactions compete
    with the g-difference electronic Zeeman interactions. The magnetic properties
    underlying the biradical spin Hamiltonian for solution, including J’s, have been
    determined by multifrequency CW-ESR and H-1 ENDOR spectroscopy and compared with
    those obtained by quantum chemical calculations. The experimental J values were
    in good agreement with the quantum chemical calculations. The g-engineered biradicals
    have been tested as a prototype for AWG (Arbitrary Wave Generator)-based spin
    manipulation techniques, which enable GRAPE (GRAdient Pulse Engineering) microwave
    control of spins in molecular magnetic resonance spectroscopy for use in molecular
    spin quantum computers, demonstrating efficient signal enhancement of specific
    weakened hyperfine signals. Dynamic nuclear polarization (DNP) effects of the
    biradicals for 400 MHz nuclear magnetic resonance signal enhancement have been
    examined, giving efficiency factors of 30 for H-1 and 27.8 for C-13 nuclei. The
    marked DNP results show the feasibility of these biradicals for hyperpolarization.
author:
- first_name: K.
  full_name: Sato, K.
  last_name: Sato
- first_name: R.
  full_name: Hirao, R.
  last_name: Hirao
- first_name: I.
  full_name: Timofeev, I.
  last_name: Timofeev
- first_name: O.
  full_name: Krumkacheva, O.
  last_name: Krumkacheva
- first_name: E.
  full_name: Zaytseva, E.
  last_name: Zaytseva
- first_name: O.
  full_name: Rogozhnikova, O.
  last_name: Rogozhnikova
- first_name: V. M.
  full_name: Tormyshev, V. M.
  last_name: Tormyshev
- first_name: D.
  full_name: Trukhin, D.
  last_name: Trukhin
- first_name: E.
  full_name: Bagryanskaya, E.
  last_name: Bagryanskaya
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: C.
  full_name: Klimavicius, C.
  last_name: Klimavicius
- first_name: G.
  full_name: Buntkowsky, G.
  last_name: Buntkowsky
- first_name: K.
  full_name: Sugisaki, K.
  last_name: Sugisaki
- first_name: S.
  full_name: Nakazawa, S.
  last_name: Nakazawa
- first_name: H.
  full_name: Matsuoka, H.
  last_name: Matsuoka
- first_name: K.
  full_name: Toyota, K.
  last_name: Toyota
- first_name: D.
  full_name: Shiomi, D.
  last_name: Shiomi
- first_name: T.
  full_name: Takui, T.
  last_name: Takui
citation:
  ama: Sato K, Hirao R, Timofeev I, et al. Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered
    Biradicals, As Studied by Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR,
    Arbitrary Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical
    Calculations. <i>Journal of Physical Chemistry A</i>. 2019;123(34):7507–7517.
    doi:<a href="https://doi.org/10.1021/acs.jpca.9b07169">10.1021/acs.jpca.9b07169</a>
  apa: Sato, K., Hirao, R., Timofeev, I., Krumkacheva, O., Zaytseva, E., Rogozhnikova,
    O., Tormyshev, V. M., Trukhin, D., Bagryanskaya, E., Gutmann, T., Klimavicius,
    C., Buntkowsky, G., Sugisaki, K., Nakazawa, S., Matsuoka, H., Toyota, K., Shiomi,
    D., &#38; Takui, T. (2019). Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered
    Biradicals, As Studied by Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR,
    Arbitrary Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical
    Calculations. <i>Journal of Physical Chemistry A</i>, <i>123</i>(34), 7507–7517.
    <a href="https://doi.org/10.1021/acs.jpca.9b07169">https://doi.org/10.1021/acs.jpca.9b07169</a>
  bibtex: '@article{Sato_Hirao_Timofeev_Krumkacheva_Zaytseva_Rogozhnikova_Tormyshev_Trukhin_Bagryanskaya_Gutmann_et
    al._2019, title={Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered Biradicals,
    As Studied by Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR, Arbitrary
    Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical Calculations},
    volume={123}, DOI={<a href="https://doi.org/10.1021/acs.jpca.9b07169">10.1021/acs.jpca.9b07169</a>},
    number={34}, journal={Journal of Physical Chemistry A}, author={Sato, K. and Hirao,
    R. and Timofeev, I. and Krumkacheva, O. and Zaytseva, E. and Rogozhnikova, O.
    and Tormyshev, V. M. and Trukhin, D. and Bagryanskaya, E. and Gutmann, Torsten
    and et al.}, year={2019}, pages={7507–7517} }'
  chicago: 'Sato, K., R. Hirao, I. Timofeev, O. Krumkacheva, E. Zaytseva, O. Rogozhnikova,
    V. M. Tormyshev, et al. “Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered Biradicals,
    As Studied by Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR, Arbitrary
    Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical Calculations.”
    <i>Journal of Physical Chemistry A</i> 123, no. 34 (2019): 7507–7517. <a href="https://doi.org/10.1021/acs.jpca.9b07169">https://doi.org/10.1021/acs.jpca.9b07169</a>.'
  ieee: 'K. Sato <i>et al.</i>, “Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered
    Biradicals, As Studied by Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR,
    Arbitrary Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical
    Calculations,” <i>Journal of Physical Chemistry A</i>, vol. 123, no. 34, pp. 7507–7517,
    2019, doi: <a href="https://doi.org/10.1021/acs.jpca.9b07169">10.1021/acs.jpca.9b07169</a>.'
  mla: Sato, K., et al. “Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered Biradicals,
    As Studied by Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR, Arbitrary
    Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical Calculations.”
    <i>Journal of Physical Chemistry A</i>, vol. 123, no. 34, 2019, pp. 7507–7517,
    doi:<a href="https://doi.org/10.1021/acs.jpca.9b07169">10.1021/acs.jpca.9b07169</a>.
  short: K. Sato, R. Hirao, I. Timofeev, O. Krumkacheva, E. Zaytseva, O. Rogozhnikova,
    V.M. Tormyshev, D. Trukhin, E. Bagryanskaya, T. Gutmann, C. Klimavicius, G. Buntkowsky,
    K. Sugisaki, S. Nakazawa, H. Matsuoka, K. Toyota, D. Shiomi, T. Takui, Journal
    of Physical Chemistry A 123 (2019) 7507–7517.
date_created: 2026-02-07T16:07:58Z
date_updated: 2026-02-17T16:13:42Z
doi: 10.1021/acs.jpca.9b07169
extern: '1'
intvolume: '       123'
issue: '34'
language:
- iso: eng
page: 7507–7517
publication: Journal of Physical Chemistry A
status: public
title: Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered Biradicals, As Studied by
  Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR, Arbitrary Wave Generator
  Pulse Microwave Waveform Spectroscopy, and Quantum Chemical Calculations
type: journal_article
user_id: '100715'
volume: 123
year: '2019'
...
---
_id: '64038'
abstract:
- lang: eng
  text: An efficient approach for the characterization of core–shell polymer hybrid
    nanoparticles is presented. Selective signal amplification by dynamic nuclear
    polarization (DNP) is employed to shed more light on the molecular structure of
    surface sites and shell of the particles. DNP-enhanced 29Si solid-state NMR is
    used to clearly prove the core–shell structure of the nanoparticles as well as
    the success of their functionalization with low amounts of trimethylsiloxy groups.
    By combination of DNP-enhanced 1H → 29Si and 1H → 13C cross-polarization magic-angle-spinning
    experiments, differently substituted alkoxysilane moieties, namely, methacryloxypropyltriethoxysilane,
    3-methacryloxypropyltriisopropoxysilane, and 3-methacryloxypropyltris(methoxyethoxy)silane,
    are investigated, revealing various cross-linking capabilities of the particle
    shell. This knowledge about efficiency of surface functionalization and cross-linking
    sites strongly influences the application and properties of the core–shell polymer
    hybrid particles, for instance, as materials for photonic crystals, particle film
    formation, and coatings. This is of high importance for the design of tailor-made
    core–shell particle architectures.
author:
- first_name: Timmy
  full_name: Schäfer, Timmy
  last_name: Schäfer
- first_name: Steffen
  full_name: Vowinkel, Steffen
  last_name: Vowinkel
- first_name: Hergen
  full_name: Breitzke, Hergen
  last_name: Breitzke
- first_name: Markus
  full_name: Gallei, Markus
  last_name: Gallei
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
citation:
  ama: Schäfer T, Vowinkel S, Breitzke H, Gallei M, Gutmann T. Selective DNP Signal
    Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles.
    <i>Journal of Physical Chemistry C</i>. 2019;123(1):644–652. doi:<a href="https://doi.org/10.1021/acs.jpcc.8b07969">10.1021/acs.jpcc.8b07969</a>
  apa: Schäfer, T., Vowinkel, S., Breitzke, H., Gallei, M., &#38; Gutmann, T. (2019).
    Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid
    Nanoparticles. <i>Journal of Physical Chemistry C</i>, <i>123</i>(1), 644–652.
    <a href="https://doi.org/10.1021/acs.jpcc.8b07969">https://doi.org/10.1021/acs.jpcc.8b07969</a>
  bibtex: '@article{Schäfer_Vowinkel_Breitzke_Gallei_Gutmann_2019, title={Selective
    DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles},
    volume={123}, DOI={<a href="https://doi.org/10.1021/acs.jpcc.8b07969">10.1021/acs.jpcc.8b07969</a>},
    number={1}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
    Society}, author={Schäfer, Timmy and Vowinkel, Steffen and Breitzke, Hergen and
    Gallei, Markus and Gutmann, Torsten}, year={2019}, pages={644–652} }'
  chicago: 'Schäfer, Timmy, Steffen Vowinkel, Hergen Breitzke, Markus Gallei, and
    Torsten Gutmann. “Selective DNP Signal Amplification To Probe Structures of Core–Shell
    Polymer Hybrid Nanoparticles.” <i>Journal of Physical Chemistry C</i> 123, no.
    1 (2019): 644–652. <a href="https://doi.org/10.1021/acs.jpcc.8b07969">https://doi.org/10.1021/acs.jpcc.8b07969</a>.'
  ieee: 'T. Schäfer, S. Vowinkel, H. Breitzke, M. Gallei, and T. Gutmann, “Selective
    DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles,”
    <i>Journal of Physical Chemistry C</i>, vol. 123, no. 1, pp. 644–652, 2019, doi:
    <a href="https://doi.org/10.1021/acs.jpcc.8b07969">10.1021/acs.jpcc.8b07969</a>.'
  mla: Schäfer, Timmy, et al. “Selective DNP Signal Amplification To Probe Structures
    of Core–Shell Polymer Hybrid Nanoparticles.” <i>Journal of Physical Chemistry
    C</i>, vol. 123, no. 1, American Chemical Society, 2019, pp. 644–652, doi:<a href="https://doi.org/10.1021/acs.jpcc.8b07969">10.1021/acs.jpcc.8b07969</a>.
  short: T. Schäfer, S. Vowinkel, H. Breitzke, M. Gallei, T. Gutmann, Journal of Physical
    Chemistry C 123 (2019) 644–652.
date_created: 2026-02-07T16:08:48Z
date_updated: 2026-02-17T16:13:34Z
doi: 10.1021/acs.jpcc.8b07969
extern: '1'
intvolume: '       123'
issue: '1'
language:
- iso: eng
page: 644–652
publication: Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
publisher: American Chemical Society
status: public
title: Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer
  Hybrid Nanoparticles
type: journal_article
user_id: '100715'
volume: 123
year: '2019'
...
---
_id: '64033'
abstract:
- lang: eng
  text: Abstract The reactions of three metal nanoparticle (MNP) systems Ru/dppb,
    RuPt/dppb, Pt/dppb (dppb=1,4-bis(diphenylphosphino)butane) with gaseous D2 at
    room temperature and different gas pressures have been studied using 1H gas phase
    NMR, GC-MS and solid state 13C and 31P MAS NMR. The main product is gaseous HD
    arising from the reaction of D2 with surface hydrogen sites created during the
    synthesis of the nanoparticles. In a side reaction, some of the dppb ligands are
    decomposed producing surface phosphorus species and gaseous partially deuterated
    butane and cyclohexane. These findings are fundamental for detailed studies of
    the reaction kinetics of these particles towards H2 or D2 gas.
author:
- first_name: Niels
  full_name: Rothermel, Niels
  last_name: Rothermel
- first_name: Tobias
  full_name: Röther, Tobias
  last_name: Röther
- first_name: Tuğçe
  full_name: Ayvalı, Tuğçe
  last_name: Ayvalı
- first_name: Luis M.
  full_name: Martínez-Prieto, Luis M.
  last_name: Martínez-Prieto
- first_name: Karine
  full_name: Philippot, Karine
  last_name: Philippot
- first_name: Hans-Heinrich
  full_name: Limbach, Hans-Heinrich
  last_name: Limbach
- first_name: Bruno
  full_name: Chaudret, Bruno
  last_name: Chaudret
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: Rothermel N, Röther T, Ayvalı T, et al. Reactions of D2 with 1,4-Bis(diphenylphosphino)
    butane-Stabilized Metal Nanoparticles-A Combined Gas-phase NMR, GC-MS and Solid-state
    NMR Study. <i>ChemCatChem</i>. 2019;11(5):1465–1471. doi:<a href="https://doi.org/10.1002/cctc.201801981">10.1002/cctc.201801981</a>
  apa: Rothermel, N., Röther, T., Ayvalı, T., Martínez-Prieto, L. M., Philippot, K.,
    Limbach, H.-H., Chaudret, B., Gutmann, T., &#38; Buntkowsky, G. (2019). Reactions
    of D2 with 1,4-Bis(diphenylphosphino) butane-Stabilized Metal Nanoparticles-A
    Combined Gas-phase NMR, GC-MS and Solid-state NMR Study. <i>ChemCatChem</i>, <i>11</i>(5),
    1465–1471. <a href="https://doi.org/10.1002/cctc.201801981">https://doi.org/10.1002/cctc.201801981</a>
  bibtex: '@article{Rothermel_Röther_Ayvalı_Martínez-Prieto_Philippot_Limbach_Chaudret_Gutmann_Buntkowsky_2019,
    title={Reactions of D2 with 1,4-Bis(diphenylphosphino) butane-Stabilized Metal
    Nanoparticles-A Combined Gas-phase NMR, GC-MS and Solid-state NMR Study}, volume={11},
    DOI={<a href="https://doi.org/10.1002/cctc.201801981">10.1002/cctc.201801981</a>},
    number={5}, journal={ChemCatChem}, author={Rothermel, Niels and Röther, Tobias
    and Ayvalı, Tuğçe and Martínez-Prieto, Luis M. and Philippot, Karine and Limbach,
    Hans-Heinrich and Chaudret, Bruno and Gutmann, Torsten and Buntkowsky, Gerd},
    year={2019}, pages={1465–1471} }'
  chicago: 'Rothermel, Niels, Tobias Röther, Tuğçe Ayvalı, Luis M. Martínez-Prieto,
    Karine Philippot, Hans-Heinrich Limbach, Bruno Chaudret, Torsten Gutmann, and
    Gerd Buntkowsky. “Reactions of D2 with 1,4-Bis(Diphenylphosphino) Butane-Stabilized
    Metal Nanoparticles-A Combined Gas-Phase NMR, GC-MS and Solid-State NMR Study.”
    <i>ChemCatChem</i> 11, no. 5 (2019): 1465–1471. <a href="https://doi.org/10.1002/cctc.201801981">https://doi.org/10.1002/cctc.201801981</a>.'
  ieee: 'N. Rothermel <i>et al.</i>, “Reactions of D2 with 1,4-Bis(diphenylphosphino)
    butane-Stabilized Metal Nanoparticles-A Combined Gas-phase NMR, GC-MS and Solid-state
    NMR Study,” <i>ChemCatChem</i>, vol. 11, no. 5, pp. 1465–1471, 2019, doi: <a href="https://doi.org/10.1002/cctc.201801981">10.1002/cctc.201801981</a>.'
  mla: Rothermel, Niels, et al. “Reactions of D2 with 1,4-Bis(Diphenylphosphino) Butane-Stabilized
    Metal Nanoparticles-A Combined Gas-Phase NMR, GC-MS and Solid-State NMR Study.”
    <i>ChemCatChem</i>, vol. 11, no. 5, 2019, pp. 1465–1471, doi:<a href="https://doi.org/10.1002/cctc.201801981">10.1002/cctc.201801981</a>.
  short: N. Rothermel, T. Röther, T. Ayvalı, L.M. Martínez-Prieto, K. Philippot, H.-H.
    Limbach, B. Chaudret, T. Gutmann, G. Buntkowsky, ChemCatChem 11 (2019) 1465–1471.
date_created: 2026-02-07T16:07:05Z
date_updated: 2026-02-17T16:13:47Z
doi: 10.1002/cctc.201801981
extern: '1'
intvolume: '        11'
issue: '5'
language:
- iso: eng
page: 1465–1471
publication: ChemCatChem
status: public
title: Reactions of D2 with 1,4-Bis(diphenylphosphino) butane-Stabilized Metal Nanoparticles-A
  Combined Gas-phase NMR, GC-MS and Solid-state NMR Study
type: journal_article
user_id: '100715'
volume: 11
year: '2019'
...
---
_id: '64018'
abstract:
- lang: eng
  text: CO oxidation is an extensively studied reaction in heterogeneous catalysis
    due to its seeming simplicity and its great importance for emission control. However,
    the role of particle size and more specifically structure sensitivity in this
    reaction is still controversial. In the present study, colloidal “surfactant-free”
    Pt nanoparticles (NPs) in a size regime of 1–4 nm with narrow size distribution
    and control over particle size were synthesized and subsequently supported on
    Al2O3 to prepare model catalysts. CO oxidation was performed using Pt NPs catalysts
    with particles sizes of 1, 2, 3, and 4 nm at different reaction temperatures.
    It is shown that the reaction exhibits a particle size effect that depends strongly
    on the reaction conditions. At 170 °C, the reaction seems to proceed within the
    same kinetic regime for all particle sizes, but the surface normalized activity
    depends strongly on the particle size, with maximum activity for nanoparticles
    2 nm in diameter. A temperature increase to 200 °C leads to a change of the kinetic
    regime that depends on the particle size. For Pt NPs 1 nm in diameter a reaction
    order of 1 for O2 was observed, indicating that O2 adsorbs molecularly and dissociates
    in a following step, which represents the generally accepted mechanism on Pt surfaces.
    The reaction order of −1 for CO demonstrates that the surface is saturated with
    CO under reaction conditions. With increasing particle size, the reaction orders
    of O2 and CO change. For particles 2 nm in size, an increase in temperature also
    results in reaction orders of 1 for O2 and −1 for CO; NPs of 3 and 4 nm, even
    at higher temperatures, show no clear kinetic behavior that can be explained by
    a single reaction mechanism. Instead, the Boudouard reaction between two adjacent
    adsorbed CO molecules was identified as an important additional reaction pathway
    that occurs preferentially on large particles and causes more complex kinetics.
author:
- first_name: Sarah
  full_name: Neumann, Sarah
  last_name: Neumann
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
- first_name: Stephen
  full_name: Paul, Stephen
  last_name: Paul
- first_name: Greg
  full_name: Thiele, Greg
  last_name: Thiele
- first_name: Heiko
  full_name: Sievers, Heiko
  last_name: Sievers
- first_name: Marcus
  full_name: Bäumer, Marcus
  last_name: Bäumer
- first_name: Sebastian
  full_name: Kunz, Sebastian
  last_name: Kunz
citation:
  ama: Neumann S, Gutmann T, Buntkowsky G, et al. Insights into the reaction mechanism
    and particle size effects of CO oxidation over supported Pt nanoparticle catalysts.
    <i>Journal of Catalysis</i>. 2019;377:662–672. doi:<a href="https://doi.org/10.1016/j.jcat.2019.07.049">10.1016/j.jcat.2019.07.049</a>
  apa: Neumann, S., Gutmann, T., Buntkowsky, G., Paul, S., Thiele, G., Sievers, H.,
    Bäumer, M., &#38; Kunz, S. (2019). Insights into the reaction mechanism and particle
    size effects of CO oxidation over supported Pt nanoparticle catalysts. <i>Journal
    of Catalysis</i>, <i>377</i>, 662–672. <a href="https://doi.org/10.1016/j.jcat.2019.07.049">https://doi.org/10.1016/j.jcat.2019.07.049</a>
  bibtex: '@article{Neumann_Gutmann_Buntkowsky_Paul_Thiele_Sievers_Bäumer_Kunz_2019,
    title={Insights into the reaction mechanism and particle size effects of CO oxidation
    over supported Pt nanoparticle catalysts}, volume={377}, DOI={<a href="https://doi.org/10.1016/j.jcat.2019.07.049">10.1016/j.jcat.2019.07.049</a>},
    journal={Journal of Catalysis}, author={Neumann, Sarah and Gutmann, Torsten and
    Buntkowsky, Gerd and Paul, Stephen and Thiele, Greg and Sievers, Heiko and Bäumer,
    Marcus and Kunz, Sebastian}, year={2019}, pages={662–672} }'
  chicago: 'Neumann, Sarah, Torsten Gutmann, Gerd Buntkowsky, Stephen Paul, Greg Thiele,
    Heiko Sievers, Marcus Bäumer, and Sebastian Kunz. “Insights into the Reaction
    Mechanism and Particle Size Effects of CO Oxidation over Supported Pt Nanoparticle
    Catalysts.” <i>Journal of Catalysis</i> 377 (2019): 662–672. <a href="https://doi.org/10.1016/j.jcat.2019.07.049">https://doi.org/10.1016/j.jcat.2019.07.049</a>.'
  ieee: 'S. Neumann <i>et al.</i>, “Insights into the reaction mechanism and particle
    size effects of CO oxidation over supported Pt nanoparticle catalysts,” <i>Journal
    of Catalysis</i>, vol. 377, pp. 662–672, 2019, doi: <a href="https://doi.org/10.1016/j.jcat.2019.07.049">10.1016/j.jcat.2019.07.049</a>.'
  mla: Neumann, Sarah, et al. “Insights into the Reaction Mechanism and Particle Size
    Effects of CO Oxidation over Supported Pt Nanoparticle Catalysts.” <i>Journal
    of Catalysis</i>, vol. 377, 2019, pp. 662–672, doi:<a href="https://doi.org/10.1016/j.jcat.2019.07.049">10.1016/j.jcat.2019.07.049</a>.
  short: S. Neumann, T. Gutmann, G. Buntkowsky, S. Paul, G. Thiele, H. Sievers, M.
    Bäumer, S. Kunz, Journal of Catalysis 377 (2019) 662–672.
date_created: 2026-02-07T16:02:06Z
date_updated: 2026-02-17T16:14:45Z
doi: 10.1016/j.jcat.2019.07.049
extern: '1'
intvolume: '       377'
keyword:
- Solid state NMR
- “Surfactant-free” platinum nanoparticles
- CO oxidation
- Particle size effect
- Structure sensitivity
language:
- iso: eng
page: 662–672
publication: Journal of Catalysis
status: public
title: Insights into the reaction mechanism and particle size effects of CO oxidation
  over supported Pt nanoparticle catalysts
type: journal_article
user_id: '100715'
volume: 377
year: '2019'
...
---
_id: '64019'
abstract:
- lang: eng
  text: A chiral zirconium-based catalyst, DUT-67-Pro containing 8-connected Zr6-clusters
    is obtained by post synthetic functionalization of Zr6O6(OH)2(TDC)4(HCOO)2 (DUT-67,
    TDC = 2,5-thiophenedicarboxylate) with the chiral monocarboxylic acid, L-proline.
    13C and 15N solid state MAS and DNP NMR studies of DUT-67-Pro confirm the integration
    of L-proline into the porous framework. The chiral MOF catalyst exhibits an excellent
    catalytic activity at low temperature (298 K) with an unprecedented syn-(S,S)-product
    selectivity in an asymmetric aldol addition reaction of cyclohexanone to 4-nitrobenzaldehyde
    (yield = 95%, ee = 96%). Comparative catalytic studies using a molecular Zr6-cluster
    model compound indicate the Zr6-moiety to be responsible for this inverse diastereoselectivity
    compared to well-established L-proline organocatalysis and a mechanism is proposed
    to explain the Zr6-cluster-mediated syn-selectivity. Masking residual acidic active
    sites in the cluster of the framework was found to be a key prerequisite to achieve
    the high enantioselectivity. The purely heterogeneous catalytic system based on
    DUT-67-Pro is highly stable and can be recycled several times.
author:
- first_name: Khoa D.
  full_name: Nguyen, Khoa D.
  last_name: Nguyen
- first_name: Christel
  full_name: Kutzscher, Christel
  last_name: Kutzscher
- first_name: Sebastian
  full_name: Ehrling, Sebastian
  last_name: Ehrling
- first_name: Irena
  full_name: Senkovska, Irena
  last_name: Senkovska
- first_name: Volodymyr
  full_name: Bon, Volodymyr
  last_name: Bon
- first_name: Marcos
  full_name: Oliveira, Marcos
  last_name: Oliveira
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
- first_name: Stefan
  full_name: Kaskel, Stefan
  last_name: Kaskel
citation:
  ama: Nguyen KD, Kutzscher C, Ehrling S, et al. Insights into the role of zirconium
    in proline functionalized metal-organic frameworks attaining high enantio- and
    diastereoselectivity. <i>Journal of Catalysis</i>. 2019;377:41–50. doi:<a href="https://doi.org/10.1016/j.jcat.2019.07.003">10.1016/j.jcat.2019.07.003</a>
  apa: Nguyen, K. D., Kutzscher, C., Ehrling, S., Senkovska, I., Bon, V., Oliveira,
    M., Gutmann, T., Buntkowsky, G., &#38; Kaskel, S. (2019). Insights into the role
    of zirconium in proline functionalized metal-organic frameworks attaining high
    enantio- and diastereoselectivity. <i>Journal of Catalysis</i>, <i>377</i>, 41–50.
    <a href="https://doi.org/10.1016/j.jcat.2019.07.003">https://doi.org/10.1016/j.jcat.2019.07.003</a>
  bibtex: '@article{Nguyen_Kutzscher_Ehrling_Senkovska_Bon_Oliveira_Gutmann_Buntkowsky_Kaskel_2019,
    title={Insights into the role of zirconium in proline functionalized metal-organic
    frameworks attaining high enantio- and diastereoselectivity}, volume={377}, DOI={<a
    href="https://doi.org/10.1016/j.jcat.2019.07.003">10.1016/j.jcat.2019.07.003</a>},
    journal={Journal of Catalysis}, author={Nguyen, Khoa D. and Kutzscher, Christel
    and Ehrling, Sebastian and Senkovska, Irena and Bon, Volodymyr and Oliveira, Marcos
    and Gutmann, Torsten and Buntkowsky, Gerd and Kaskel, Stefan}, year={2019}, pages={41–50}
    }'
  chicago: 'Nguyen, Khoa D., Christel Kutzscher, Sebastian Ehrling, Irena Senkovska,
    Volodymyr Bon, Marcos Oliveira, Torsten Gutmann, Gerd Buntkowsky, and Stefan Kaskel.
    “Insights into the Role of Zirconium in Proline Functionalized Metal-Organic Frameworks
    Attaining High Enantio- and Diastereoselectivity.” <i>Journal of Catalysis</i>
    377 (2019): 41–50. <a href="https://doi.org/10.1016/j.jcat.2019.07.003">https://doi.org/10.1016/j.jcat.2019.07.003</a>.'
  ieee: 'K. D. Nguyen <i>et al.</i>, “Insights into the role of zirconium in proline
    functionalized metal-organic frameworks attaining high enantio- and diastereoselectivity,”
    <i>Journal of Catalysis</i>, vol. 377, pp. 41–50, 2019, doi: <a href="https://doi.org/10.1016/j.jcat.2019.07.003">10.1016/j.jcat.2019.07.003</a>.'
  mla: Nguyen, Khoa D., et al. “Insights into the Role of Zirconium in Proline Functionalized
    Metal-Organic Frameworks Attaining High Enantio- and Diastereoselectivity.” <i>Journal
    of Catalysis</i>, vol. 377, 2019, pp. 41–50, doi:<a href="https://doi.org/10.1016/j.jcat.2019.07.003">10.1016/j.jcat.2019.07.003</a>.
  short: K.D. Nguyen, C. Kutzscher, S. Ehrling, I. Senkovska, V. Bon, M. Oliveira,
    T. Gutmann, G. Buntkowsky, S. Kaskel, Journal of Catalysis 377 (2019) 41–50.
date_created: 2026-02-07T16:02:33Z
date_updated: 2026-02-17T16:14:42Z
doi: 10.1016/j.jcat.2019.07.003
extern: '1'
intvolume: '       377'
keyword:
- -proline
- -selective aldol reaction
- Chirality
- Metal-organic framework
- Zirconium
language:
- iso: eng
page: 41–50
publication: Journal of Catalysis
status: public
title: Insights into the role of zirconium in proline functionalized metal-organic
  frameworks attaining high enantio- and diastereoselectivity
type: journal_article
user_id: '100715'
volume: 377
year: '2019'
...
---
_id: '64023'
abstract:
- lang: eng
  text: The structure of vanadium oxide (VOx) species in vanadium containing MCM-41
    catalysts prepared by co-condensation or grafting, respectively, was investigated
    by a combination of Raman scattering, UV-vis diffuse reflectance, ATR-IR, and
    magic angle spinning (MAS) 51V as well as 29Si NMR spectroscopy techniques. Simulations
    of the 51V MAS NMR spectra allowed the determination of chemical shift and quadrupole
    tensor parameters, which give valuable information about the nature of the VOx
    units. Structural transformations of the supported vanadium oxide species for
    the catalyst in the dehydrated state and hydrated state were investigated to examine
    the effect of water molecules on the VOx structures. The results reveal the presence
    of different VOx structures for the hydrated samples, including dimeric species,
    oligomeric chains and isolated trigonal pyramid units. Upon dehydration, the predominance
    of oligomeric and/or dimeric units for the sample prepared by grafting was observed,
    while a considerable amount of isolated units was additionally detected for the
    sample prepared by co-condensation.
author:
- first_name: Marcos
  full_name: Oliveira, Marcos
  last_name: Oliveira
- first_name: Dominik
  full_name: Seeburg, Dominik
  last_name: Seeburg
- first_name: Jana
  full_name: Weiß, Jana
  last_name: Weiß
- first_name: Sebastian
  full_name: Wohlrab, Sebastian
  last_name: Wohlrab
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
- first_name: Ursula
  full_name: Bentrup, Ursula
  last_name: Bentrup
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
citation:
  ama: Oliveira M, Seeburg D, Weiß J, et al. Structural characterization of vanadium
    environments in MCM-41 molecular sieve catalysts by solid state 51V NMR. <i>Catalysis
    Science &#38; Technology</i>. 2019;9(21):6180–6190. doi:<a href="https://doi.org/10.1039/C9CY01410A">10.1039/C9CY01410A</a>
  apa: Oliveira, M., Seeburg, D., Weiß, J., Wohlrab, S., Buntkowsky, G., Bentrup,
    U., &#38; Gutmann, T. (2019). Structural characterization of vanadium environments
    in MCM-41 molecular sieve catalysts by solid state 51V NMR. <i>Catalysis Science
    &#38; Technology</i>, <i>9</i>(21), 6180–6190. <a href="https://doi.org/10.1039/C9CY01410A">https://doi.org/10.1039/C9CY01410A</a>
  bibtex: '@article{Oliveira_Seeburg_Weiß_Wohlrab_Buntkowsky_Bentrup_Gutmann_2019,
    title={Structural characterization of vanadium environments in MCM-41 molecular
    sieve catalysts by solid state 51V NMR}, volume={9}, DOI={<a href="https://doi.org/10.1039/C9CY01410A">10.1039/C9CY01410A</a>},
    number={21}, journal={Catalysis Science &#38; Technology}, publisher={The Royal
    Society of Chemistry}, author={Oliveira, Marcos and Seeburg, Dominik and Weiß,
    Jana and Wohlrab, Sebastian and Buntkowsky, Gerd and Bentrup, Ursula and Gutmann,
    Torsten}, year={2019}, pages={6180–6190} }'
  chicago: 'Oliveira, Marcos, Dominik Seeburg, Jana Weiß, Sebastian Wohlrab, Gerd
    Buntkowsky, Ursula Bentrup, and Torsten Gutmann. “Structural Characterization
    of Vanadium Environments in MCM-41 Molecular Sieve Catalysts by Solid State 51V
    NMR.” <i>Catalysis Science &#38; Technology</i> 9, no. 21 (2019): 6180–6190. <a
    href="https://doi.org/10.1039/C9CY01410A">https://doi.org/10.1039/C9CY01410A</a>.'
  ieee: 'M. Oliveira <i>et al.</i>, “Structural characterization of vanadium environments
    in MCM-41 molecular sieve catalysts by solid state 51V NMR,” <i>Catalysis Science
    &#38; Technology</i>, vol. 9, no. 21, pp. 6180–6190, 2019, doi: <a href="https://doi.org/10.1039/C9CY01410A">10.1039/C9CY01410A</a>.'
  mla: Oliveira, Marcos, et al. “Structural Characterization of Vanadium Environments
    in MCM-41 Molecular Sieve Catalysts by Solid State 51V NMR.” <i>Catalysis Science
    &#38; Technology</i>, vol. 9, no. 21, The Royal Society of Chemistry, 2019, pp.
    6180–6190, doi:<a href="https://doi.org/10.1039/C9CY01410A">10.1039/C9CY01410A</a>.
  short: M. Oliveira, D. Seeburg, J. Weiß, S. Wohlrab, G. Buntkowsky, U. Bentrup,
    T. Gutmann, Catalysis Science &#38; Technology 9 (2019) 6180–6190.
date_created: 2026-02-07T16:04:18Z
date_updated: 2026-02-17T16:14:18Z
doi: 10.1039/C9CY01410A
extern: '1'
intvolume: '         9'
issue: '21'
language:
- iso: eng
page: 6180–6190
publication: Catalysis Science & Technology
publication_identifier:
  issn:
  - 2044-4753
publisher: The Royal Society of Chemistry
status: public
title: Structural characterization of vanadium environments in MCM-41 molecular sieve
  catalysts by solid state 51V NMR
type: journal_article
user_id: '100715'
volume: 9
year: '2019'
...
---
_id: '64001'
abstract:
- lang: eng
  text: FSLG CPMAS HETCOR is a 2D solid-state NMR experiment which provides structural
    information and conformational correlation between a 1H and an X-nucleus. However,
    practical application of the experiment suffers from the chemical shift referencing
    problem on the indirect 1H dimension. In our paper, we present a novel 1H–1H MAS
    FSLG-based approach and its application to reference the FSLG CPMAS HETCOR which
    overcomes the 1H referencing in the 2D 1H-X HETCOR experiment. This approach works
    excellently irrespective of the sample type over a wide range of temperature.
author:
- first_name: Bharti
  full_name: Kumari, Bharti
  last_name: Kumari
- first_name: Martin
  full_name: Brodrecht, Martin
  last_name: Brodrecht
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Hergen
  full_name: Breitzke, Hergen
  last_name: Breitzke
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: Kumari B, Brodrecht M, Gutmann T, Breitzke H, Buntkowsky G. Efficient Referencing
    of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG. <i>Applied Magnetic Resonance</i>.
    2019;50(12):1399–1407. doi:<a href="https://doi.org/10.1007/s00723-019-01156-2">10.1007/s00723-019-01156-2</a>
  apa: Kumari, B., Brodrecht, M., Gutmann, T., Breitzke, H., &#38; Buntkowsky, G.
    (2019). Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS
    FSLG. <i>Applied Magnetic Resonance</i>, <i>50</i>(12), 1399–1407. <a href="https://doi.org/10.1007/s00723-019-01156-2">https://doi.org/10.1007/s00723-019-01156-2</a>
  bibtex: '@article{Kumari_Brodrecht_Gutmann_Breitzke_Buntkowsky_2019, title={Efficient
    Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG}, volume={50},
    DOI={<a href="https://doi.org/10.1007/s00723-019-01156-2">10.1007/s00723-019-01156-2</a>},
    number={12}, journal={Applied Magnetic Resonance}, author={Kumari, Bharti and
    Brodrecht, Martin and Gutmann, Torsten and Breitzke, Hergen and Buntkowsky, Gerd},
    year={2019}, pages={1399–1407} }'
  chicago: 'Kumari, Bharti, Martin Brodrecht, Torsten Gutmann, Hergen Breitzke, and
    Gerd Buntkowsky. “Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D
    1H–1H MAS FSLG.” <i>Applied Magnetic Resonance</i> 50, no. 12 (2019): 1399–1407.
    <a href="https://doi.org/10.1007/s00723-019-01156-2">https://doi.org/10.1007/s00723-019-01156-2</a>.'
  ieee: 'B. Kumari, M. Brodrecht, T. Gutmann, H. Breitzke, and G. Buntkowsky, “Efficient
    Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG,” <i>Applied
    Magnetic Resonance</i>, vol. 50, no. 12, pp. 1399–1407, 2019, doi: <a href="https://doi.org/10.1007/s00723-019-01156-2">10.1007/s00723-019-01156-2</a>.'
  mla: Kumari, Bharti, et al. “Efficient Referencing of FSLG CPMAS HETCOR Spectra
    Using 2D 1H–1H MAS FSLG.” <i>Applied Magnetic Resonance</i>, vol. 50, no. 12,
    2019, pp. 1399–1407, doi:<a href="https://doi.org/10.1007/s00723-019-01156-2">10.1007/s00723-019-01156-2</a>.
  short: B. Kumari, M. Brodrecht, T. Gutmann, H. Breitzke, G. Buntkowsky, Applied
    Magnetic Resonance 50 (2019) 1399–1407.
date_created: 2026-02-07T15:53:21Z
date_updated: 2026-02-17T16:15:43Z
doi: 10.1007/s00723-019-01156-2
extern: '1'
intvolume: '        50'
issue: '12'
language:
- iso: eng
page: 1399–1407
publication: Applied Magnetic Resonance
publication_identifier:
  issn:
  - 1613-7507
status: public
title: Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG
type: journal_article
user_id: '100715'
volume: 50
year: '2019'
...
---
_id: '63991'
abstract:
- lang: eng
  text: A series of 1 and 2 nm sized platinum nanoparticles (Pt-NPs) deposited on
    different support materials, namely, gamma-alumina (gamma-Al2O3), titanium dioxide
    (TiO2), silicon dioxide (SiO2) and fumed silica are investigated by solid-state
    NMR and dynamic nuclear polarization enhanced NMR spectroscopy (DNP). DNP signal
    enhancement factors up to 170 enable gaining deeper insight into the surface chemistry
    of Pt-NPs. Carbon monoxide is used as a probe molecule to analyze the adsorption
    process and the surface chemistry on the supported Pt-NPs. The studied systems
    show significant catalytic activity in carbon monoxide oxidation on their surface
    at room temperature. The underlying catalytic mechanism is the water-gas shift
    reaction. In the case of alumina as the support the produced CO2 reacts with the
    surface to form carbonate, which is revealed by solid-state NMR. A similar carbonate
    formation is also observed when physical mixtures of neat alumina with silica,
    fumed silica and titania supported Pt-NPs are studied.
author:
- first_name: V.
  full_name: Klimavicius, V.
  last_name: Klimavicius
- first_name: S.
  full_name: Neumann, S.
  last_name: Neumann
- first_name: S.
  full_name: Kunz, S.
  last_name: Kunz
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: G.
  full_name: Buntkowsky, G.
  last_name: Buntkowsky
citation:
  ama: Klimavicius V, Neumann S, Kunz S, Gutmann T, Buntkowsky G. Room temperature
    CO oxidation catalysed by supported Pt nanoparticles revealed by solid-state NMR
    and DNP spectroscopy. <i>Catalysis Science &#38; Technology</i>. 2019;9(14):3743–3752.
    doi:<a href="https://doi.org/10.1039/c9cy00684b">10.1039/c9cy00684b</a>
  apa: Klimavicius, V., Neumann, S., Kunz, S., Gutmann, T., &#38; Buntkowsky, G. (2019).
    Room temperature CO oxidation catalysed by supported Pt nanoparticles revealed
    by solid-state NMR and DNP spectroscopy. <i>Catalysis Science &#38; Technology</i>,
    <i>9</i>(14), 3743–3752. <a href="https://doi.org/10.1039/c9cy00684b">https://doi.org/10.1039/c9cy00684b</a>
  bibtex: '@article{Klimavicius_Neumann_Kunz_Gutmann_Buntkowsky_2019, title={Room
    temperature CO oxidation catalysed by supported Pt nanoparticles revealed by solid-state
    NMR and DNP spectroscopy}, volume={9}, DOI={<a href="https://doi.org/10.1039/c9cy00684b">10.1039/c9cy00684b</a>},
    number={14}, journal={Catalysis Science &#38; Technology}, author={Klimavicius,
    V. and Neumann, S. and Kunz, S. and Gutmann, Torsten and Buntkowsky, G.}, year={2019},
    pages={3743–3752} }'
  chicago: 'Klimavicius, V., S. Neumann, S. Kunz, Torsten Gutmann, and G. Buntkowsky.
    “Room Temperature CO Oxidation Catalysed by Supported Pt Nanoparticles Revealed
    by Solid-State NMR and DNP Spectroscopy.” <i>Catalysis Science &#38; Technology</i>
    9, no. 14 (2019): 3743–3752. <a href="https://doi.org/10.1039/c9cy00684b">https://doi.org/10.1039/c9cy00684b</a>.'
  ieee: 'V. Klimavicius, S. Neumann, S. Kunz, T. Gutmann, and G. Buntkowsky, “Room
    temperature CO oxidation catalysed by supported Pt nanoparticles revealed by solid-state
    NMR and DNP spectroscopy,” <i>Catalysis Science &#38; Technology</i>, vol. 9,
    no. 14, pp. 3743–3752, 2019, doi: <a href="https://doi.org/10.1039/c9cy00684b">10.1039/c9cy00684b</a>.'
  mla: Klimavicius, V., et al. “Room Temperature CO Oxidation Catalysed by Supported
    Pt Nanoparticles Revealed by Solid-State NMR and DNP Spectroscopy.” <i>Catalysis
    Science &#38; Technology</i>, vol. 9, no. 14, 2019, pp. 3743–3752, doi:<a href="https://doi.org/10.1039/c9cy00684b">10.1039/c9cy00684b</a>.
  short: V. Klimavicius, S. Neumann, S. Kunz, T. Gutmann, G. Buntkowsky, Catalysis
    Science &#38; Technology 9 (2019) 3743–3752.
date_created: 2026-02-07T15:47:21Z
date_updated: 2026-02-17T16:16:33Z
doi: 10.1039/c9cy00684b
extern: '1'
intvolume: '         9'
issue: '14'
keyword:
- Chemistry
- gamma-alumina
- hydrogenation
- silica
- c-13
- interactions
- metal-catalysts
- particle-size
- platinum nanoparticles
- sites
- surface
- water-gas shift
language:
- iso: eng
page: 3743–3752
publication: Catalysis Science & Technology
publication_identifier:
  issn:
  - 2044-4753
status: public
title: Room temperature CO oxidation catalysed by supported Pt nanoparticles revealed
  by solid-state NMR and DNP spectroscopy
type: journal_article
user_id: '100715'
volume: 9
year: '2019'
...
---
_id: '63969'
abstract:
- lang: eng
  text: A number of Ir-N-heterocyclic carbene (Ir-NHC) complexes with asymmetric N-heterocyclic
    carbene (NHC) ligands have been prepared and examined for signal amplification
    by reversible exchange (SABRE). Pyridine was chosen as model compound for hyperpolarization
    experiments. This substrate was examined in a solvent mixture using several Ir-NHC
    complexes, which differ in their NHC ligands. The SABRE polarization was created
    at 6mT and the H-1 nuclear magnetic resonancesignals were detected at 7T. We show
    that asymmetric NHC ligands, because of their favorable chemistry, can adapt the
    SABREactive complexes to different chemical scenarios.
author:
- first_name: S.
  full_name: Hadjiali, S.
  last_name: Hadjiali
- first_name: R.
  full_name: Savka, R.
  last_name: Savka
- first_name: M.
  full_name: Plaumann, M.
  last_name: Plaumann
- first_name: U.
  full_name: Bommerich, U.
  last_name: Bommerich
- first_name: S.
  full_name: Bothe, S.
  last_name: Bothe
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: T.
  full_name: Ratajczyk, T.
  last_name: Ratajczyk
- first_name: J.
  full_name: Bernarding, J.
  last_name: Bernarding
- first_name: H. H.
  full_name: Limbach, H. H.
  last_name: Limbach
- first_name: H.
  full_name: Plenio, H.
  last_name: Plenio
- first_name: G.
  full_name: Buntkowsky, G.
  last_name: Buntkowsky
citation:
  ama: Hadjiali S, Savka R, Plaumann M, et al. Substituent Influences on the NMR Signal
    Amplification of Ir Complexes with Heterocyclic Carbene Ligands. <i>Applied Magnetic
    Resonance</i>. 2019;50(7):895–902. doi:<a href="https://doi.org/10.1007/s00723-019-01115-x">10.1007/s00723-019-01115-x</a>
  apa: Hadjiali, S., Savka, R., Plaumann, M., Bommerich, U., Bothe, S., Gutmann, T.,
    Ratajczyk, T., Bernarding, J., Limbach, H. H., Plenio, H., &#38; Buntkowsky, G.
    (2019). Substituent Influences on the NMR Signal Amplification of Ir Complexes
    with Heterocyclic Carbene Ligands. <i>Applied Magnetic Resonance</i>, <i>50</i>(7),
    895–902. <a href="https://doi.org/10.1007/s00723-019-01115-x">https://doi.org/10.1007/s00723-019-01115-x</a>
  bibtex: '@article{Hadjiali_Savka_Plaumann_Bommerich_Bothe_Gutmann_Ratajczyk_Bernarding_Limbach_Plenio_et
    al._2019, title={Substituent Influences on the NMR Signal Amplification of Ir
    Complexes with Heterocyclic Carbene Ligands}, volume={50}, DOI={<a href="https://doi.org/10.1007/s00723-019-01115-x">10.1007/s00723-019-01115-x</a>},
    number={7}, journal={Applied Magnetic Resonance}, author={Hadjiali, S. and Savka,
    R. and Plaumann, M. and Bommerich, U. and Bothe, S. and Gutmann, Torsten and Ratajczyk,
    T. and Bernarding, J. and Limbach, H. H. and Plenio, H. and et al.}, year={2019},
    pages={895–902} }'
  chicago: 'Hadjiali, S., R. Savka, M. Plaumann, U. Bommerich, S. Bothe, Torsten Gutmann,
    T. Ratajczyk, et al. “Substituent Influences on the NMR Signal Amplification of
    Ir Complexes with Heterocyclic Carbene Ligands.” <i>Applied Magnetic Resonance</i>
    50, no. 7 (2019): 895–902. <a href="https://doi.org/10.1007/s00723-019-01115-x">https://doi.org/10.1007/s00723-019-01115-x</a>.'
  ieee: 'S. Hadjiali <i>et al.</i>, “Substituent Influences on the NMR Signal Amplification
    of Ir Complexes with Heterocyclic Carbene Ligands,” <i>Applied Magnetic Resonance</i>,
    vol. 50, no. 7, pp. 895–902, 2019, doi: <a href="https://doi.org/10.1007/s00723-019-01115-x">10.1007/s00723-019-01115-x</a>.'
  mla: Hadjiali, S., et al. “Substituent Influences on the NMR Signal Amplification
    of Ir Complexes with Heterocyclic Carbene Ligands.” <i>Applied Magnetic Resonance</i>,
    vol. 50, no. 7, 2019, pp. 895–902, doi:<a href="https://doi.org/10.1007/s00723-019-01115-x">10.1007/s00723-019-01115-x</a>.
  short: S. Hadjiali, R. Savka, M. Plaumann, U. Bommerich, S. Bothe, T. Gutmann, T.
    Ratajczyk, J. Bernarding, H.H. Limbach, H. Plenio, G. Buntkowsky, Applied Magnetic
    Resonance 50 (2019) 895–902.
date_created: 2026-02-07T15:40:18Z
date_updated: 2026-02-17T16:17:34Z
doi: 10.1007/s00723-019-01115-x
extern: '1'
intvolume: '        50'
issue: '7'
keyword:
- dynamic nuclear-polarization
- hyperpolarization
- enhancement
- hydrogen induced polarization
- olefin-metathesis catalysts
- parahydrogen-induced polarization
- peptides
- Physics
- sabre
- spectroscopy
language:
- iso: eng
page: 895–902
publication: Applied Magnetic Resonance
publication_identifier:
  issn:
  - 1613-7507
status: public
title: Substituent Influences on the NMR Signal Amplification of Ir Complexes with
  Heterocyclic Carbene Ligands
type: journal_article
user_id: '100715'
volume: 50
year: '2019'
...
