---
_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'
...
---
_id: '63960'
abstract:
- lang: eng
  text: Recent advances in solid-state nuclear magnetic resonance (NMR) spectroscopy
    and dynamic nuclear polarization (DNP) of nanostructured materials are reviewed.
    A first group of materials is based on crystalline nanocellulose (CNC) or microcrystalline
    cellulose (MCC), which are used as carrier materials for dye molecules, catalysts
    or in combination with heterocyclic molecules as ion conducting membranes. These
    materials have widespread applications in sensorics, optics, catalysis or fuel
    cell research. A second group are metal oxides such as V-Mo-W oxides, which are
    of enormous importance in the manufacturing process of basic chemicals. The third
    group are catalytically active nanocrystalline metal nanoparticles, coated with
    protectants or embedded in polymers. The last group includes of lead-free perovskite
    materials, which are employed as environmentally benign substitution materials
    for conventional lead-based electronics materials. These materials are discussed
    in terms of their application and physico-chemical characterization by solid-state
    NMR techniques, combined with gas-phase NMR and quantum-chemical modelling on
    the density functional theory (DFT) level. The application of multinuclear 1H,
    2H, 13C, 15N and 23Na solid state NMR techniques under static or MAS conditions
    for the characterization of these materials, their surfaces and processes on their
    surfaces is discussed. Moreover, the analytic power of the combination of these
    techniques with DNP for the identification of low-concentrated carbon and nitrogen
    containing surface species in natural abundance is reviewed. Finally, approaches
    for sensitivity enhancement by DNP of quadrupolar nuclei such as 17O and 51V are
    presented that enable the identification of catalytic sites in metal oxide catalysts.
author:
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Pedro B.
  full_name: Groszewicz, Pedro B.
  last_name: Groszewicz
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: Gutmann T, Groszewicz PB, Buntkowsky G. Solid-state NMR of nanocrystals. <i>Annual
    Reports on NMR Spectroscopy</i>. 2019;97:1–82. doi:<a href="https://doi.org/10.1016/bs.arnmr.2018.12.001">10.1016/bs.arnmr.2018.12.001</a>
  apa: Gutmann, T., Groszewicz, P. B., &#38; Buntkowsky, G. (2019). Solid-state NMR
    of nanocrystals. <i>Annual Reports on NMR Spectroscopy</i>, <i>97</i>, 1–82. <a
    href="https://doi.org/10.1016/bs.arnmr.2018.12.001">https://doi.org/10.1016/bs.arnmr.2018.12.001</a>
  bibtex: '@article{Gutmann_Groszewicz_Buntkowsky_2019, title={Solid-state NMR of
    nanocrystals}, volume={97}, DOI={<a href="https://doi.org/10.1016/bs.arnmr.2018.12.001">10.1016/bs.arnmr.2018.12.001</a>},
    journal={Annual Reports on NMR Spectroscopy}, author={Gutmann, Torsten and Groszewicz,
    Pedro B. and Buntkowsky, Gerd}, year={2019}, pages={1–82} }'
  chicago: 'Gutmann, Torsten, Pedro B. Groszewicz, and Gerd Buntkowsky. “Solid-State
    NMR of Nanocrystals.” <i>Annual Reports on NMR Spectroscopy</i> 97 (2019): 1–82.
    <a href="https://doi.org/10.1016/bs.arnmr.2018.12.001">https://doi.org/10.1016/bs.arnmr.2018.12.001</a>.'
  ieee: 'T. Gutmann, P. B. Groszewicz, and G. Buntkowsky, “Solid-state NMR of nanocrystals,”
    <i>Annual Reports on NMR Spectroscopy</i>, vol. 97, pp. 1–82, 2019, doi: <a href="https://doi.org/10.1016/bs.arnmr.2018.12.001">10.1016/bs.arnmr.2018.12.001</a>.'
  mla: Gutmann, Torsten, et al. “Solid-State NMR of Nanocrystals.” <i>Annual Reports
    on NMR Spectroscopy</i>, vol. 97, 2019, pp. 1–82, doi:<a href="https://doi.org/10.1016/bs.arnmr.2018.12.001">10.1016/bs.arnmr.2018.12.001</a>.
  short: T. Gutmann, P.B. Groszewicz, G. Buntkowsky, Annual Reports on NMR Spectroscopy
    97 (2019) 1–82.
date_created: 2026-02-07T15:37:03Z
date_updated: 2026-02-17T16:17:56Z
doi: 10.1016/bs.arnmr.2018.12.001
extern: '1'
intvolume: '        97'
keyword:
- solid-state nmr
- heterogeneous catalysis
- dynamic nuclear polarization
- Ferroelectrics
- Nanocatalysis
- Surface reactions
language:
- iso: eng
page: 1–82
publication: Annual Reports on NMR Spectroscopy
status: public
title: Solid-state NMR of nanocrystals
type: journal_article
user_id: '100715'
volume: 97
year: '2019'
...
---
_id: '63930'
abstract:
- lang: eng
  text: Abstract Specific spin labeling allows the site-selective investigation of
    biomolecules by EPR and DNP enhanced NMR spectroscopy. A novel spin labeling strategy
    for commercially available Fmoc-amino acids is developed. In this approach, the
    PROXYL spin label is covalently attached to the hydroxyl side chain of three amino
    acids hydroxyproline (Hyp), serine (Ser) and tyrosine (Tyr) by a simple three-step
    synthesis route. The obtained PROXYL containing building-blocks are N-terminally
    protected by the Fmoc-protection group, which makes them applicable for the use
    in solid-phase peptide synthesis (SPPS). This approach allows the insertion of
    the spin label at any desired position during SPPS, which makes it more versatile
    than the widely used post synthetic spin labeling strategies. For the final building-blocks,
    the radical activity is proven by EPR. DNP enhanced solid-state NMR experiments
    employing these building-blocks in a TCE solution show enhancement factors of
    up to 26 for 1H and 13C (1H→13C cross-polarization). To proof the viability of
    the presented building-blocks for insertion of the spin label during SPPS the
    penta-peptide Acetyl-Gly-Ser(PROXYL)-Gly-Gly-Gly was synthesized employing the
    spin labeled Ser building-block. This peptide could successfully be isolated and
    the spin label activity proved by EPR and DNP NMR measurements, showing enhancement
    factors of 12.1±0.1 for 1H and 13.9±0.5 for 13C (direct polarization).
author:
- first_name: Martin
  full_name: Brodrecht, Martin
  last_name: Brodrecht
- first_name: Kevin
  full_name: Herr, Kevin
  last_name: Herr
- first_name: Sarah
  full_name: Bothe, Sarah
  last_name: Bothe
- first_name: Marcos
  full_name: de Oliveira Jr., Marcos
  last_name: de Oliveira Jr.
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: Brodrecht M, Herr K, Bothe S, de Oliveira Jr. M, Gutmann T, Buntkowsky G. Efficient
    Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides for
    Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications.
    <i>ChemPhysChem</i>. 2019;20(11):1475–1487. doi:<a href="https://doi.org/10.1002/cphc.201900211">10.1002/cphc.201900211</a>
  apa: Brodrecht, M., Herr, K., Bothe, S., de Oliveira Jr., M., Gutmann, T., &#38;
    Buntkowsky, G. (2019). Efficient Building Blocks for Solid-Phase Peptide Synthesis
    of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear
    Polarization Applications. <i>ChemPhysChem</i>, <i>20</i>(11), 1475–1487. <a href="https://doi.org/10.1002/cphc.201900211">https://doi.org/10.1002/cphc.201900211</a>
  bibtex: '@article{Brodrecht_Herr_Bothe_de Oliveira Jr._Gutmann_Buntkowsky_2019,
    title={Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled
    Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization
    Applications}, volume={20}, DOI={<a href="https://doi.org/10.1002/cphc.201900211">10.1002/cphc.201900211</a>},
    number={11}, journal={ChemPhysChem}, author={Brodrecht, Martin and Herr, Kevin
    and Bothe, Sarah and de Oliveira Jr., Marcos and Gutmann, Torsten and Buntkowsky,
    Gerd}, year={2019}, pages={1475–1487} }'
  chicago: 'Brodrecht, Martin, Kevin Herr, Sarah Bothe, Marcos de Oliveira Jr., Torsten
    Gutmann, and Gerd Buntkowsky. “Efficient Building Blocks for Solid-Phase Peptide
    Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic
    Nuclear Polarization Applications.” <i>ChemPhysChem</i> 20, no. 11 (2019): 1475–1487.
    <a href="https://doi.org/10.1002/cphc.201900211">https://doi.org/10.1002/cphc.201900211</a>.'
  ieee: 'M. Brodrecht, K. Herr, S. Bothe, M. de Oliveira Jr., T. Gutmann, and G. Buntkowsky,
    “Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides
    for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications,”
    <i>ChemPhysChem</i>, vol. 20, no. 11, pp. 1475–1487, 2019, doi: <a href="https://doi.org/10.1002/cphc.201900211">10.1002/cphc.201900211</a>.'
  mla: Brodrecht, Martin, et al. “Efficient Building Blocks for Solid-Phase Peptide
    Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic
    Nuclear Polarization Applications.” <i>ChemPhysChem</i>, vol. 20, no. 11, 2019,
    pp. 1475–1487, doi:<a href="https://doi.org/10.1002/cphc.201900211">10.1002/cphc.201900211</a>.
  short: M. Brodrecht, K. Herr, S. Bothe, M. de Oliveira Jr., T. Gutmann, G. Buntkowsky,
    ChemPhysChem 20 (2019) 1475–1487.
date_created: 2026-02-07T09:01:25Z
date_updated: 2026-02-17T16:19:05Z
doi: 10.1002/cphc.201900211
extern: '1'
intvolume: '        20'
issue: '11'
language:
- iso: eng
page: 1475–1487
publication: ChemPhysChem
status: public
title: Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled
  Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications
type: journal_article
user_id: '100715'
volume: 20
year: '2019'
...
---
_id: '63931'
abstract:
- lang: eng
  text: Abstract The structure and surface functionalization of biologically relevant
    silica-based hybrid materials was investigated by 2D solid-state NMR techniques
    combined with dynamic nuclear polarization (DNP). This approach was applied to
    a model system of mesoporous silica, which was modified through in-pore grafting
    of small peptides by solid-phase peptide synthesis (SPPS). To prove the covalent
    binding of the peptides on the surface, DNP-enhanced solid-state NMR was used
    for the detection of 15N NMR signals in natural abundance. DNP-enhanced heterocorrelation
    experiments with frequency switched Lee–Goldburg homonuclear proton decoupling
    (1H–13C and 1H–15N CP MAS FSLG HETCOR) were performed to verify the primary structure
    and configuration of the synthesized peptides. 1H FSLG spectra and 1H-29Si FSLG
    HETCOR correlation spectra were recorded to investigate the orientation of the
    amino acid residues with respect to the silica surface. The combination of these
    NMR techniques provides detailed insights into the structure of amino acid functionalized
    hybrid compounds and allows for the understanding for each synthesis step during
    the in-pore SPPS.
author:
- first_name: Martin
  full_name: Brodrecht, Martin
  last_name: Brodrecht
- first_name: Bharti
  full_name: Kumari, Bharti
  last_name: Kumari
- first_name: A. S. Sofia Lilly
  full_name: Thankamony, A. S. Sofia Lilly
  last_name: Thankamony
- first_name: Hergen
  full_name: Breitzke, Hergen
  last_name: Breitzke
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Gerd
  full_name: Buntkowsky, Gerd
  last_name: Buntkowsky
citation:
  ama: Brodrecht M, Kumari B, Thankamony ASSL, Breitzke H, Gutmann T, Buntkowsky G.
    Structural Insights into Peptides Bound to the Surface of Silica Nanopores. <i>Chemistry
    A European Journal</i>. 2019;25(20):5214–5221. doi:<a href="https://doi.org/10.1002/chem.201805480">10.1002/chem.201805480</a>
  apa: Brodrecht, M., Kumari, B., Thankamony, A. S. S. L., Breitzke, H., Gutmann,
    T., &#38; Buntkowsky, G. (2019). Structural Insights into Peptides Bound to the
    Surface of Silica Nanopores. <i>Chemistry A European Journal</i>, <i>25</i>(20),
    5214–5221. <a href="https://doi.org/10.1002/chem.201805480">https://doi.org/10.1002/chem.201805480</a>
  bibtex: '@article{Brodrecht_Kumari_Thankamony_Breitzke_Gutmann_Buntkowsky_2019,
    title={Structural Insights into Peptides Bound to the Surface of Silica Nanopores},
    volume={25}, DOI={<a href="https://doi.org/10.1002/chem.201805480">10.1002/chem.201805480</a>},
    number={20}, journal={Chemistry A European Journal}, author={Brodrecht, Martin
    and Kumari, Bharti and Thankamony, A. S. Sofia Lilly and Breitzke, Hergen and
    Gutmann, Torsten and Buntkowsky, Gerd}, year={2019}, pages={5214–5221} }'
  chicago: 'Brodrecht, Martin, Bharti Kumari, A. S. Sofia Lilly Thankamony, Hergen
    Breitzke, Torsten Gutmann, and Gerd Buntkowsky. “Structural Insights into Peptides
    Bound to the Surface of Silica Nanopores.” <i>Chemistry A European Journal</i>
    25, no. 20 (2019): 5214–5221. <a href="https://doi.org/10.1002/chem.201805480">https://doi.org/10.1002/chem.201805480</a>.'
  ieee: 'M. Brodrecht, B. Kumari, A. S. S. L. Thankamony, H. Breitzke, T. Gutmann,
    and G. Buntkowsky, “Structural Insights into Peptides Bound to the Surface of
    Silica Nanopores,” <i>Chemistry A European Journal</i>, vol. 25, no. 20, pp. 5214–5221,
    2019, doi: <a href="https://doi.org/10.1002/chem.201805480">10.1002/chem.201805480</a>.'
  mla: Brodrecht, Martin, et al. “Structural Insights into Peptides Bound to the Surface
    of Silica Nanopores.” <i>Chemistry A European Journal</i>, vol. 25, no. 20, 2019,
    pp. 5214–5221, doi:<a href="https://doi.org/10.1002/chem.201805480">10.1002/chem.201805480</a>.
  short: M. Brodrecht, B. Kumari, A.S.S.L. Thankamony, H. Breitzke, T. Gutmann, G.
    Buntkowsky, Chemistry A European Journal 25 (2019) 5214–5221.
date_created: 2026-02-07T09:01:45Z
date_updated: 2026-02-17T16:19:01Z
doi: 10.1002/chem.201805480
extern: '1'
intvolume: '        25'
issue: '20'
language:
- iso: eng
page: 5214–5221
publication: Chemistry A European Journal
status: public
title: Structural Insights into Peptides Bound to the Surface of Silica Nanopores
type: journal_article
user_id: '100715'
volume: 25
year: '2019'
...
---
_id: '64054'
abstract:
- lang: eng
  text: In this work, the preparation of porous hybrid particle-based films by core-shell
    particle design and convenient film preparation is reported. Monodisperse core
    particles consisting of poly(methyl methacrylate‑co‑allyl methacrylate) (P(MMA‑co‑ALMA))
    were synthesized by starved-feed emulsion polymerization followed by the introduction
    of an initiator-containing monomer (inimer) for subsequent atom transfer radical
    polymerization (ATRP). The inimer shell allowed for the introduction of allylhydrido
    polycarbosilane (SMP-10) under ATRP conditions by grafting to the core particles.
    The functionalization of the prepared core-shell particles was investigated by
    IR spectroscopy (FTIR), scanning transmission electron microscopy (STEM) and solid-state
    NMR combined with dynamic nuclear polarization (DNP). The obtained hard core/soft
    preceramic shell particles were subjected to the melt-shear organization technique,
    enabling a convenient alignment into a colloidal crystal structure in one single
    step without the presence of a dispersion medium or solvent for the designed particles.
    Moreover, the hybrid particle-based films were converted into a porous ceramic
    structure upon thermal treatment. As a result, freestanding ceramic porous films
    have been obtained after degradation of the organic template core particles. Noteworthy,
    the conversion of the matrix material consisting of SMP-10 into the ceramic occurred
    with preservation of the pristine colloidal crystal template structure. Herein,
    the first example of core-shell particle preparation by combining different polymerization
    methodologies and application of the convenient melt-shear organization technique
    is shown, paving a new way to ceramic materials with tailored morphology and porosity.
author:
- first_name: Steffen
  full_name: Vowinkel, Steffen
  last_name: Vowinkel
- first_name: Anna
  full_name: Boehm, Anna
  last_name: Boehm
- first_name: Timmy
  full_name: Schäfer, Timmy
  last_name: Schäfer
- first_name: Torsten
  full_name: Gutmann, Torsten
  id: '118165'
  last_name: Gutmann
- first_name: Emanuel
  full_name: Ionescu, Emanuel
  last_name: Ionescu
- first_name: Markus
  full_name: Gallei, Markus
  last_name: Gallei
citation:
  ama: Vowinkel S, Boehm A, Schäfer T, Gutmann T, Ionescu E, Gallei M. Preceramic
    core-shell particles for the preparation of hybrid colloidal crystal films by
    melt-shear organization and conversion into porous ceramics. <i>Materials &#38;
    Design</i>. 2018;160:926–935. doi:<a href="https://doi.org/10.1016/j.matdes.2018.10.032">10.1016/j.matdes.2018.10.032</a>
  apa: Vowinkel, S., Boehm, A., Schäfer, T., Gutmann, T., Ionescu, E., &#38; Gallei,
    M. (2018). Preceramic core-shell particles for the preparation of hybrid colloidal
    crystal films by melt-shear organization and conversion into porous ceramics.
    <i>Materials &#38; Design</i>, <i>160</i>, 926–935. <a href="https://doi.org/10.1016/j.matdes.2018.10.032">https://doi.org/10.1016/j.matdes.2018.10.032</a>
  bibtex: '@article{Vowinkel_Boehm_Schäfer_Gutmann_Ionescu_Gallei_2018, title={Preceramic
    core-shell particles for the preparation of hybrid colloidal crystal films by
    melt-shear organization and conversion into porous ceramics}, volume={160}, DOI={<a
    href="https://doi.org/10.1016/j.matdes.2018.10.032">10.1016/j.matdes.2018.10.032</a>},
    journal={Materials &#38; Design}, author={Vowinkel, Steffen and Boehm, Anna and
    Schäfer, Timmy and Gutmann, Torsten and Ionescu, Emanuel and Gallei, Markus},
    year={2018}, pages={926–935} }'
  chicago: 'Vowinkel, Steffen, Anna Boehm, Timmy Schäfer, Torsten Gutmann, Emanuel
    Ionescu, and Markus Gallei. “Preceramic Core-Shell Particles for the Preparation
    of Hybrid Colloidal Crystal Films by Melt-Shear Organization and Conversion into
    Porous Ceramics.” <i>Materials &#38; Design</i> 160 (2018): 926–935. <a href="https://doi.org/10.1016/j.matdes.2018.10.032">https://doi.org/10.1016/j.matdes.2018.10.032</a>.'
  ieee: 'S. Vowinkel, A. Boehm, T. Schäfer, T. Gutmann, E. Ionescu, and M. Gallei,
    “Preceramic core-shell particles for the preparation of hybrid colloidal crystal
    films by melt-shear organization and conversion into porous ceramics,” <i>Materials
    &#38; Design</i>, vol. 160, pp. 926–935, 2018, doi: <a href="https://doi.org/10.1016/j.matdes.2018.10.032">10.1016/j.matdes.2018.10.032</a>.'
  mla: Vowinkel, Steffen, et al. “Preceramic Core-Shell Particles for the Preparation
    of Hybrid Colloidal Crystal Films by Melt-Shear Organization and Conversion into
    Porous Ceramics.” <i>Materials &#38; Design</i>, vol. 160, 2018, pp. 926–935,
    doi:<a href="https://doi.org/10.1016/j.matdes.2018.10.032">10.1016/j.matdes.2018.10.032</a>.
  short: S. Vowinkel, A. Boehm, T. Schäfer, T. Gutmann, E. Ionescu, M. Gallei, Materials
    &#38; Design 160 (2018) 926–935.
date_created: 2026-02-07T16:15:42Z
date_updated: 2026-02-17T16:12:52Z
doi: 10.1016/j.matdes.2018.10.032
extern: '1'
intvolume: '       160'
keyword:
- emulsion polymerization
- self-assembly
- ATRP
- Colloidal crystal
- Hybrid film
- Particle processing
language:
- iso: eng
page: 926–935
publication: Materials & Design
status: public
title: Preceramic core-shell particles for the preparation of hybrid colloidal crystal
  films by melt-shear organization and conversion into porous ceramics
type: journal_article
user_id: '100715'
volume: 160
year: '2018'
...
