---
_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. Annual
Reports on NMR Spectroscopy. 2019;97:1–82. doi:10.1016/bs.arnmr.2018.12.001
apa: Gutmann, T., Groszewicz, P. B., & Buntkowsky, G. (2019). Solid-state NMR
of nanocrystals. Annual Reports on NMR Spectroscopy, 97, 1–82. https://doi.org/10.1016/bs.arnmr.2018.12.001
bibtex: '@article{Gutmann_Groszewicz_Buntkowsky_2019, title={Solid-state NMR of
nanocrystals}, volume={97}, DOI={10.1016/bs.arnmr.2018.12.001},
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.” Annual Reports on NMR Spectroscopy 97 (2019): 1–82.
https://doi.org/10.1016/bs.arnmr.2018.12.001.'
ieee: 'T. Gutmann, P. B. Groszewicz, and G. Buntkowsky, “Solid-state NMR of nanocrystals,”
Annual Reports on NMR Spectroscopy, vol. 97, pp. 1–82, 2019, doi: 10.1016/bs.arnmr.2018.12.001.'
mla: Gutmann, Torsten, et al. “Solid-State NMR of Nanocrystals.” Annual Reports
on NMR Spectroscopy, vol. 97, 2019, pp. 1–82, doi:10.1016/bs.arnmr.2018.12.001.
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.
ChemPhysChem. 2019;20(11):1475–1487. doi:10.1002/cphc.201900211
apa: Brodrecht, M., Herr, K., Bothe, S., de Oliveira Jr., M., Gutmann, T., &
Buntkowsky, G. (2019). Efficient Building Blocks for Solid-Phase Peptide Synthesis
of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear
Polarization Applications. ChemPhysChem, 20(11), 1475–1487. https://doi.org/10.1002/cphc.201900211
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={10.1002/cphc.201900211},
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.” ChemPhysChem 20, no. 11 (2019): 1475–1487.
https://doi.org/10.1002/cphc.201900211.'
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,”
ChemPhysChem, vol. 20, no. 11, pp. 1475–1487, 2019, doi: 10.1002/cphc.201900211.'
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.” ChemPhysChem, vol. 20, no. 11, 2019,
pp. 1475–1487, doi:10.1002/cphc.201900211.
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. Chemistry
A European Journal. 2019;25(20):5214–5221. doi:10.1002/chem.201805480
apa: Brodrecht, M., Kumari, B., Thankamony, A. S. S. L., Breitzke, H., Gutmann,
T., & Buntkowsky, G. (2019). Structural Insights into Peptides Bound to the
Surface of Silica Nanopores. Chemistry A European Journal, 25(20),
5214–5221. https://doi.org/10.1002/chem.201805480
bibtex: '@article{Brodrecht_Kumari_Thankamony_Breitzke_Gutmann_Buntkowsky_2019,
title={Structural Insights into Peptides Bound to the Surface of Silica Nanopores},
volume={25}, DOI={10.1002/chem.201805480},
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.” Chemistry A European Journal
25, no. 20 (2019): 5214–5221. https://doi.org/10.1002/chem.201805480.'
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,” Chemistry A European Journal, vol. 25, no. 20, pp. 5214–5221,
2019, doi: 10.1002/chem.201805480.'
mla: Brodrecht, Martin, et al. “Structural Insights into Peptides Bound to the Surface
of Silica Nanopores.” Chemistry A European Journal, vol. 25, no. 20, 2019,
pp. 5214–5221, doi:10.1002/chem.201805480.
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. Materials &
Design. 2018;160:926–935. doi:10.1016/j.matdes.2018.10.032
apa: Vowinkel, S., Boehm, A., Schäfer, T., Gutmann, T., Ionescu, E., & Gallei,
M. (2018). Preceramic core-shell particles for the preparation of hybrid colloidal
crystal films by melt-shear organization and conversion into porous ceramics.
Materials & Design, 160, 926–935. https://doi.org/10.1016/j.matdes.2018.10.032
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={10.1016/j.matdes.2018.10.032},
journal={Materials & 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.” Materials & Design 160 (2018): 926–935. https://doi.org/10.1016/j.matdes.2018.10.032.'
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,” Materials
& Design, vol. 160, pp. 926–935, 2018, doi: 10.1016/j.matdes.2018.10.032.'
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.” Materials & Design, vol. 160, 2018, pp. 926–935,
doi:10.1016/j.matdes.2018.10.032.
short: S. Vowinkel, A. Boehm, T. Schäfer, T. Gutmann, E. Ionescu, M. Gallei, Materials
& 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'
...
---
_id: '64031'
abstract:
- lang: eng
text: The activation of C-H bonds of alkanes remains a major challenge for chemistry.
In a series of deuteration experiments with D-2 in contact with bis-(diphenylphosphino)
butane (dppb) stabilized ruthenium nanoparticles (liquid substrates, 60 degrees
C, 6 bar D-2) we have observed a surprisingly large reactivity of cyclopentane
as compared to cyclohexane and other alkanes. DFT calculations using a ligand-free
Ru13H17 model cluster as catalyst indicate oxidative C-H cleavage of the bound
substrates as rate limiting reaction step. They also indicate similar binding
and activation enthalpies of reactions of cyclopentane and cyclohexane.
author:
- first_name: N.
full_name: Rothermel, N.
last_name: Rothermel
- first_name: D.
full_name: Bouzouita, D.
last_name: Bouzouita
- first_name: T.
full_name: Rother, T.
last_name: Rother
- first_name: I.
full_name: Rosal, I.
last_name: Rosal
- first_name: S.
full_name: Tricard, S.
last_name: Tricard
- first_name: R.
full_name: Poteau, R.
last_name: Poteau
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: B.
full_name: Chaudret, B.
last_name: Chaudret
- first_name: H. H.
full_name: Limbach, H. H.
last_name: Limbach
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
citation:
ama: 'Rothermel N, Bouzouita D, Rother T, et al. Surprising Differences of Alkane
C-H Activation Catalyzed by Ruthenium Nanoparticles: Complex Surface-Substrate
Recognition? ChemCatChem. 2018;10(19):4243–4247. doi:10.1002/cctc.201801022'
apa: 'Rothermel, N., Bouzouita, D., Rother, T., Rosal, I., Tricard, S., Poteau,
R., Gutmann, T., Chaudret, B., Limbach, H. H., & Buntkowsky, G. (2018). Surprising
Differences of Alkane C-H Activation Catalyzed by Ruthenium Nanoparticles: Complex
Surface-Substrate Recognition? ChemCatChem, 10(19), 4243–4247. https://doi.org/10.1002/cctc.201801022'
bibtex: '@article{Rothermel_Bouzouita_Rother_Rosal_Tricard_Poteau_Gutmann_Chaudret_Limbach_Buntkowsky_2018,
title={Surprising Differences of Alkane C-H Activation Catalyzed by Ruthenium
Nanoparticles: Complex Surface-Substrate Recognition?}, volume={10}, DOI={10.1002/cctc.201801022},
number={19}, journal={ChemCatChem}, author={Rothermel, N. and Bouzouita, D. and
Rother, T. and Rosal, I. and Tricard, S. and Poteau, R. and Gutmann, Torsten and
Chaudret, B. and Limbach, H. H. and Buntkowsky, G.}, year={2018}, pages={4243–4247}
}'
chicago: 'Rothermel, N., D. Bouzouita, T. Rother, I. Rosal, S. Tricard, R. Poteau,
Torsten Gutmann, B. Chaudret, H. H. Limbach, and G. Buntkowsky. “Surprising Differences
of Alkane C-H Activation Catalyzed by Ruthenium Nanoparticles: Complex Surface-Substrate
Recognition?” ChemCatChem 10, no. 19 (2018): 4243–4247. https://doi.org/10.1002/cctc.201801022.'
ieee: 'N. Rothermel et al., “Surprising Differences of Alkane C-H Activation
Catalyzed by Ruthenium Nanoparticles: Complex Surface-Substrate Recognition?,”
ChemCatChem, vol. 10, no. 19, pp. 4243–4247, 2018, doi: 10.1002/cctc.201801022.'
mla: 'Rothermel, N., et al. “Surprising Differences of Alkane C-H Activation Catalyzed
by Ruthenium Nanoparticles: Complex Surface-Substrate Recognition?” ChemCatChem,
vol. 10, no. 19, 2018, pp. 4243–4247, doi:10.1002/cctc.201801022.'
short: N. Rothermel, D. Bouzouita, T. Rother, I. Rosal, S. Tricard, R. Poteau, T.
Gutmann, B. Chaudret, H.H. Limbach, G. Buntkowsky, ChemCatChem 10 (2018) 4243–4247.
date_created: 2026-02-07T16:06:27Z
date_updated: 2026-02-17T16:13:52Z
doi: 10.1002/cctc.201801022
extern: '1'
intvolume: ' 10'
issue: '19'
language:
- iso: eng
page: 4243–4247
publication: ChemCatChem
status: public
title: 'Surprising Differences of Alkane C-H Activation Catalyzed by Ruthenium Nanoparticles:
Complex Surface-Substrate Recognition?'
type: journal_article
user_id: '100715'
volume: 10
year: '2018'
...
---
_id: '64007'
abstract:
- lang: eng
text: The equilibration of H2, HD and D2 between the gas phase and surface hydrides
of solid organic-ligand-stabilized Ru metal nanoparticles has been studied by
gas phase 1H NMR spectroscopy using closed NMR tubes as batch reactors at room
temperature and 800 mbar. When two different nanoparticle systems, Ru/PVP (PVP
[identical with] polyvinylpyrrolidone) and Ru/HDA (HDA [identical with] hexadecylamine)
were exposed to D2 gas, only the release of HD from the hydride containing surface
could be detected in the initial stages of the reaction, but no H2. In the case
of Ru/HDA also the reverse experiment was performed where surface deuterated nanoparticles
were exposed to H2. In that case, the conversion of H2 into gaseous HD was detected.
In order to analyze the experimental kinetic and spectroscopic data, we explored
two different mechanisms taking into account potential kinetic and equilibrium
H/D isotope effects. Firstly, we explored the dissociative exchange mechanism
consisting of dissociative adsorption of dihydrogen, fast hydride surface diffusion
and associative desorption of dihydrogen. It is shown that if D2 is the reaction
partner, only H2 will be released in the beginning of the reaction, and HD only
in later reaction stages. The second mechanism, dubbed here associative exchange
consists of the binding of dihydrogen to Ru surface atoms, followed by a H-transfer
to or by H-exchange with an adjacent hydride site, and finally of the associative
desorption of dihydrogen. In that case, in the exchange with D2, only HD will
be released in the beginning of the reaction. Our experimental results are not
compatible with the dissociative exchange but can be explained in terms of the
associative exchange. Whereas the former will dominate at low temperatures and
pressures, the latter will prevail around room temperature and normal pressures
where transition metal nanoparticles are generally used as reaction catalysts.
author:
- first_name: Hans-Heinrich
full_name: Limbach, Hans-Heinrich
last_name: Limbach
- first_name: Tal
full_name: Pery, Tal
last_name: Pery
- first_name: Niels
full_name: Rothermel, Niels
last_name: Rothermel
- 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: 'Limbach H-H, Pery T, Rothermel N, Chaudret B, Gutmann T, Buntkowsky G. Gas
phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration
catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative
exchange. Physical Chemistry Chemical Physics. 2018;20(16):10697–10712.
doi:10.1039/C7CP07770J'
apa: 'Limbach, H.-H., Pery, T., Rothermel, N., Chaudret, B., Gutmann, T., &
Buntkowsky, G. (2018). Gas phase 1H NMR studies and kinetic modeling of dihydrogen
isotope equilibration catalyzed by Ru-nanoparticles under normal conditions: dissociative
vs. associative exchange. Physical Chemistry Chemical Physics, 20(16),
10697–10712. https://doi.org/10.1039/C7CP07770J'
bibtex: '@article{Limbach_Pery_Rothermel_Chaudret_Gutmann_Buntkowsky_2018, title={Gas
phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration
catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative
exchange}, volume={20}, DOI={10.1039/C7CP07770J},
number={16}, journal={Physical Chemistry Chemical Physics}, publisher={The Royal
Society of Chemistry}, author={Limbach, Hans-Heinrich and Pery, Tal and Rothermel,
Niels and Chaudret, Bruno and Gutmann, Torsten and Buntkowsky, Gerd}, year={2018},
pages={10697–10712} }'
chicago: 'Limbach, Hans-Heinrich, Tal Pery, Niels Rothermel, Bruno Chaudret, Torsten
Gutmann, and Gerd Buntkowsky. “Gas Phase 1H NMR Studies and Kinetic Modeling of
Dihydrogen Isotope Equilibration Catalyzed by Ru-Nanoparticles under Normal Conditions:
Dissociative vs. Associative Exchange.” Physical Chemistry Chemical Physics
20, no. 16 (2018): 10697–10712. https://doi.org/10.1039/C7CP07770J.'
ieee: 'H.-H. Limbach, T. Pery, N. Rothermel, B. Chaudret, T. Gutmann, and G. Buntkowsky,
“Gas phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration
catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative
exchange,” Physical Chemistry Chemical Physics, vol. 20, no. 16, pp. 10697–10712,
2018, doi: 10.1039/C7CP07770J.'
mla: 'Limbach, Hans-Heinrich, et al. “Gas Phase 1H NMR Studies and Kinetic Modeling
of Dihydrogen Isotope Equilibration Catalyzed by Ru-Nanoparticles under Normal
Conditions: Dissociative vs. Associative Exchange.” Physical Chemistry Chemical
Physics, vol. 20, no. 16, The Royal Society of Chemistry, 2018, pp. 10697–10712,
doi:10.1039/C7CP07770J.'
short: H.-H. Limbach, T. Pery, N. Rothermel, B. Chaudret, T. Gutmann, G. Buntkowsky,
Physical Chemistry Chemical Physics 20 (2018) 10697–10712.
date_created: 2026-02-07T15:56:08Z
date_updated: 2026-02-17T16:15:31Z
doi: 10.1039/C7CP07770J
extern: '1'
intvolume: ' 20'
issue: '16'
language:
- iso: eng
page: 10697–10712
publication: Physical Chemistry Chemical Physics
publisher: The Royal Society of Chemistry
status: public
title: 'Gas phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration
catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative
exchange'
type: journal_article
user_id: '100715'
volume: 20
year: '2018'
...
---
_id: '64010'
abstract:
- lang: eng
text: Seven novel dirhodium coordination polymers (Rh-2-Ln) (n = 1-7) are prepared
by employing bitopic ligands to connect dirhodium nodes. The formation of the
framework is confirmed by attenuated total reflectance Fourier transform infrared
(ATR-FTIR) and H-1 C-13 cross polarization magic angle spinning nuclear magnetic
resonance (CP MAS NMR) spectroscopy. Defect sites resulting from incomplete ligand
substitution are revealed by F-19 MAS NMR. The random stacking behavior of the
frameworks in the obtained solid is analyzed by scanning electron microscopy (SEM)
and X-ray diffraction (XRD). The Rh-2/O interaction in neighboring layers is investigated
by diffuse reflectance ultra-violet visible light (DR-UV-vis) spectroscopy and
X-ray photoelectron spectroscopy (XPS). This interaction is relevant to understand
the catalytic behavior of various Rh-2-Ln catalysts in the cyclopropanation of
styrene with ethyl diazoacetate (EDA). In this context, the structure-reactivity
relationship is discussed by taking into consideration both interlayer Rh-2/O
interactions and steric effects of side chains.
author:
- first_name: J. Q.
full_name: Liu, J. Q.
last_name: Liu
- first_name: Y. P.
full_name: Xu, Y. P.
last_name: Xu
- first_name: P. B.
full_name: Groszewicz, P. B.
last_name: Groszewicz
- first_name: M.
full_name: Brodrecht, M.
last_name: Brodrecht
- first_name: C.
full_name: Fasel, C.
last_name: Fasel
- first_name: K.
full_name: Hofmann, K.
last_name: Hofmann
- first_name: X. J.
full_name: Tan, X. J.
last_name: Tan
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
citation:
ama: 'Liu JQ, Xu YP, Groszewicz PB, et al. Novel dirhodium coordination polymers:
the impact of side chains on cyclopropanation. Catalysis Science & Technology.
2018;8(20):5190–5200. doi:10.1039/c8cy01493k'
apa: 'Liu, J. Q., Xu, Y. P., Groszewicz, P. B., Brodrecht, M., Fasel, C., Hofmann,
K., Tan, X. J., Gutmann, T., & Buntkowsky, G. (2018). Novel dirhodium coordination
polymers: the impact of side chains on cyclopropanation. Catalysis Science
& Technology, 8(20), 5190–5200. https://doi.org/10.1039/c8cy01493k'
bibtex: '@article{Liu_Xu_Groszewicz_Brodrecht_Fasel_Hofmann_Tan_Gutmann_Buntkowsky_2018,
title={Novel dirhodium coordination polymers: the impact of side chains on cyclopropanation},
volume={8}, DOI={10.1039/c8cy01493k},
number={20}, journal={Catalysis Science & Technology}, author={Liu, J. Q.
and Xu, Y. P. and Groszewicz, P. B. and Brodrecht, M. and Fasel, C. and Hofmann,
K. and Tan, X. J. and Gutmann, Torsten and Buntkowsky, G.}, year={2018}, pages={5190–5200}
}'
chicago: 'Liu, J. Q., Y. P. Xu, P. B. Groszewicz, M. Brodrecht, C. Fasel, K. Hofmann,
X. J. Tan, Torsten Gutmann, and G. Buntkowsky. “Novel Dirhodium Coordination Polymers:
The Impact of Side Chains on Cyclopropanation.” Catalysis Science & Technology
8, no. 20 (2018): 5190–5200. https://doi.org/10.1039/c8cy01493k.'
ieee: 'J. Q. Liu et al., “Novel dirhodium coordination polymers: the impact
of side chains on cyclopropanation,” Catalysis Science & Technology,
vol. 8, no. 20, pp. 5190–5200, 2018, doi: 10.1039/c8cy01493k.'
mla: 'Liu, J. Q., et al. “Novel Dirhodium Coordination Polymers: The Impact of Side
Chains on Cyclopropanation.” Catalysis Science & Technology, vol. 8,
no. 20, 2018, pp. 5190–5200, doi:10.1039/c8cy01493k.'
short: J.Q. Liu, Y.P. Xu, P.B. Groszewicz, M. Brodrecht, C. Fasel, K. Hofmann, X.J.
Tan, T. Gutmann, G. Buntkowsky, Catalysis Science & Technology 8 (2018) 5190–5200.
date_created: 2026-02-07T15:57:34Z
date_updated: 2026-02-17T16:15:22Z
doi: 10.1039/c8cy01493k
extern: '1'
intvolume: ' 8'
issue: '20'
keyword:
- Chemistry
- asymmetric cyclopropanation
- c-h insertion
- carbene transformations
- carboxylates
- catalysts
- functionalization
- immobilization
- metal-organic frameworks
- nmr
- solid support
language:
- iso: eng
page: 5190–5200
publication: Catalysis Science & Technology
publication_identifier:
issn:
- 2044-4753
status: public
title: 'Novel dirhodium coordination polymers: the impact of side chains on cyclopropanation'
type: journal_article
user_id: '100715'
volume: 8
year: '2018'
...
---
_id: '64014'
abstract:
- lang: eng
text: Many efforts have been made to isolate native nanocrystals from raw materials
in the last two decades, such as cellulose nanocrystals (CNCs), but existing methods
still suffer from low yields, complicated synthesis processes, and nonuniform
sizes of obtained CNCs. This study concerns a facile, self-terminating, and efficient
method for the formation of uniform CNCs in high yields during the periodate oxidation
process within Pickering emulsions. A biphasic system containing hexane with dissolved
hexylamine and an aqueous solution of sodium periodate (NaIO4) was used as the
reaction medium. Regulated by hexylamine, owing to its limited solubility in water,
the pH value of the aqueous phase was enhanced to around 9.8, leading to the precipitation
of sodium orthoperiodate (Na2H3IO6) nanoplates and thus the formation of the initial
Pickering emulsions. During the gradual formation of cellulose nanofibers and
then CNCs, CNCs were attracted to stabilize the interface of the Pickering emulsions,
which prevented further decomposition of CNCs by the oxidizing agent in aqueous
suspensions. Thus, this isolation strategy secured the efficient separation of
CNCs based on their own particular amphiphilic properties and achieved a high
yield of up to 56 wt%.
author:
- first_name: P. W.
full_name: Liu, P. W.
last_name: Liu
- first_name: B.
full_name: Pang, B.
last_name: Pang
- first_name: L.
full_name: Tian, L.
last_name: Tian
- first_name: T.
full_name: Schafer, T.
last_name: Schafer
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: H.
full_name: Liu, H.
last_name: Liu
- first_name: C. A.
full_name: Volkert, C. A.
last_name: Volkert
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
- first_name: K.
full_name: Zhang, K.
last_name: Zhang
citation:
ama: Liu PW, Pang B, Tian L, et al. Efficient, Self-Terminating Isolation of Cellulose
Nanocrystals through Periodate Oxidation in Pickering Emulsions. ChemSusChem.
2018;11(20):3581–3585. doi:10.1002/cssc.201801678
apa: Liu, P. W., Pang, B., Tian, L., Schafer, T., Gutmann, T., Liu, H., Volkert,
C. A., Buntkowsky, G., & Zhang, K. (2018). Efficient, Self-Terminating Isolation
of Cellulose Nanocrystals through Periodate Oxidation in Pickering Emulsions.
ChemSusChem, 11(20), 3581–3585. https://doi.org/10.1002/cssc.201801678
bibtex: '@article{Liu_Pang_Tian_Schafer_Gutmann_Liu_Volkert_Buntkowsky_Zhang_2018,
title={Efficient, Self-Terminating Isolation of Cellulose Nanocrystals through
Periodate Oxidation in Pickering Emulsions}, volume={11}, DOI={10.1002/cssc.201801678},
number={20}, journal={ChemSusChem}, author={Liu, P. W. and Pang, B. and Tian,
L. and Schafer, T. and Gutmann, Torsten and Liu, H. and Volkert, C. A. and Buntkowsky,
G. and Zhang, K.}, year={2018}, pages={3581–3585} }'
chicago: 'Liu, P. W., B. Pang, L. Tian, T. Schafer, Torsten Gutmann, H. Liu, C.
A. Volkert, G. Buntkowsky, and K. Zhang. “Efficient, Self-Terminating Isolation
of Cellulose Nanocrystals through Periodate Oxidation in Pickering Emulsions.”
ChemSusChem 11, no. 20 (2018): 3581–3585. https://doi.org/10.1002/cssc.201801678.'
ieee: 'P. W. Liu et al., “Efficient, Self-Terminating Isolation of Cellulose
Nanocrystals through Periodate Oxidation in Pickering Emulsions,” ChemSusChem,
vol. 11, no. 20, pp. 3581–3585, 2018, doi: 10.1002/cssc.201801678.'
mla: Liu, P. W., et al. “Efficient, Self-Terminating Isolation of Cellulose Nanocrystals
through Periodate Oxidation in Pickering Emulsions.” ChemSusChem, vol.
11, no. 20, 2018, pp. 3581–3585, doi:10.1002/cssc.201801678.
short: P.W. Liu, B. Pang, L. Tian, T. Schafer, T. Gutmann, H. Liu, C.A. Volkert,
G. Buntkowsky, K. Zhang, ChemSusChem 11 (2018) 3581–3585.
date_created: 2026-02-07T16:00:36Z
date_updated: 2026-02-17T16:15:14Z
doi: 10.1002/cssc.201801678
extern: '1'
intvolume: ' 11'
issue: '20'
language:
- iso: eng
page: 3581–3585
publication: ChemSusChem
status: public
title: Efficient, Self-Terminating Isolation of Cellulose Nanocrystals through Periodate
Oxidation in Pickering Emulsions
type: journal_article
user_id: '100715'
volume: 11
year: '2018'
...
---
_id: '64000'
abstract:
- lang: eng
text: Surface enhanced solid-state NMR by dynamic nuclear polarization (DNP SENS)
enables the characterization of the inner-pore surface functionalization of porous
etched ion-track membranes exhibiting low specific surface areas compared to typical
SBA- or MCM-type mesoporous silica materials. The membranes were conformally coated
with a 5 nm thin SiO2 layer by atomic layer deposition. This layer was subsequently
modified by aminopropyl silane linkers that allow further functionalization via
the terminal amine group. The results evidence that in principle DNP SENS is a
capable tool to analyze more complex porous systems, e.g. bioinspired functional
etched ion-track membranes down to the molecular level. These results are relevant
also for single nanopore systems, for which a direct analysis of the channel surface
functionalization is not feasible by classical characterization methods. The applicability
of DNP SENS to complex porous systems requires the optimization of the sample
preparation and measurement parameters.
author:
- first_name: B.
full_name: Kumari, B.
last_name: Kumari
- first_name: D.
full_name: John, D.
last_name: John
- first_name: P.
full_name: Hoffmann, P.
last_name: Hoffmann
- first_name: A.
full_name: Spende, A.
last_name: Spende
- first_name: M. E.
full_name: Toimil-Molares, M. E.
last_name: Toimil-Molares
- first_name: C.
full_name: Trautmann, C.
last_name: Trautmann
- first_name: C.
full_name: Hess, C.
last_name: Hess
- first_name: P.
full_name: Ruff, P.
last_name: Ruff
- first_name: M.
full_name: Schulze, M.
last_name: Schulze
- first_name: R.
full_name: Stark, R.
last_name: Stark
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
- first_name: A.
full_name: Andrieu-Brunsen, A.
last_name: Andrieu-Brunsen
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
citation:
ama: Kumari B, John D, Hoffmann P, et al. Surface Enhanced DNP Assisted Solid-State
NMR of Functionatized SiO2 Coated Potycarbonate Membranes. Zeitschrift Fur
Physikalische Chemie-International Journal of Research in Physical Chemistry &
Chemical Physics. 2018;232(7-8):1173–1186. doi:10.1515/zpch-2017-1032
apa: Kumari, B., John, D., Hoffmann, P., Spende, A., Toimil-Molares, M. E., Trautmann,
C., Hess, C., Ruff, P., Schulze, M., Stark, R., Buntkowsky, G., Andrieu-Brunsen,
A., & Gutmann, T. (2018). Surface Enhanced DNP Assisted Solid-State NMR of
Functionatized SiO2 Coated Potycarbonate Membranes. Zeitschrift Fur Physikalische
Chemie-International Journal of Research in Physical Chemistry & Chemical
Physics, 232(7–8), 1173–1186. https://doi.org/10.1515/zpch-2017-1032
bibtex: '@article{Kumari_John_Hoffmann_Spende_Toimil-Molares_Trautmann_Hess_Ruff_Schulze_Stark_et
al._2018, title={Surface Enhanced DNP Assisted Solid-State NMR of Functionatized
SiO2 Coated Potycarbonate Membranes}, volume={232}, DOI={10.1515/zpch-2017-1032},
number={7–8}, journal={Zeitschrift Fur Physikalische Chemie-International Journal
of Research in Physical Chemistry & Chemical Physics}, author={Kumari, B.
and John, D. and Hoffmann, P. and Spende, A. and Toimil-Molares, M. E. and Trautmann,
C. and Hess, C. and Ruff, P. and Schulze, M. and Stark, R. and et al.}, year={2018},
pages={1173–1186} }'
chicago: 'Kumari, B., D. John, P. Hoffmann, A. Spende, M. E. Toimil-Molares, C.
Trautmann, C. Hess, et al. “Surface Enhanced DNP Assisted Solid-State NMR of Functionatized
SiO2 Coated Potycarbonate Membranes.” Zeitschrift Fur Physikalische Chemie-International
Journal of Research in Physical Chemistry & Chemical Physics 232, no.
7–8 (2018): 1173–1186. https://doi.org/10.1515/zpch-2017-1032.'
ieee: 'B. Kumari et al., “Surface Enhanced DNP Assisted Solid-State NMR of
Functionatized SiO2 Coated Potycarbonate Membranes,” Zeitschrift Fur Physikalische
Chemie-International Journal of Research in Physical Chemistry & Chemical
Physics, vol. 232, no. 7–8, pp. 1173–1186, 2018, doi: 10.1515/zpch-2017-1032.'
mla: Kumari, B., et al. “Surface Enhanced DNP Assisted Solid-State NMR of Functionatized
SiO2 Coated Potycarbonate Membranes.” Zeitschrift Fur Physikalische Chemie-International
Journal of Research in Physical Chemistry & Chemical Physics, vol. 232,
no. 7–8, 2018, pp. 1173–1186, doi:10.1515/zpch-2017-1032.
short: B. Kumari, D. John, P. Hoffmann, A. Spende, M.E. Toimil-Molares, C. Trautmann,
C. Hess, P. Ruff, M. Schulze, R. Stark, G. Buntkowsky, A. Andrieu-Brunsen, T.
Gutmann, Zeitschrift Fur Physikalische Chemie-International Journal of Research
in Physical Chemistry & Chemical Physics 232 (2018) 1173–1186.
date_created: 2026-02-07T15:52:47Z
date_updated: 2026-02-17T16:15:45Z
doi: 10.1515/zpch-2017-1032
extern: '1'
intvolume: ' 232'
issue: 7-8
language:
- iso: eng
page: 1173–1186
publication: Zeitschrift Fur Physikalische Chemie-International Journal of Research
in Physical Chemistry & Chemical Physics
publication_identifier:
issn:
- 0942-9352
status: public
title: Surface Enhanced DNP Assisted Solid-State NMR of Functionatized SiO2 Coated
Potycarbonate Membranes
type: journal_article
user_id: '100715'
volume: 232
year: '2018'
...
---
_id: '63999'
abstract:
- lang: eng
text: The behavior of mixtures of 1-octanol with water with different molar ratios
confined inside the mesoporous silica SBA-15 was investigated by a combination
of solid-state NMR spectroscopy and molecular dynamics (MD) simulations. Two-dimensional
H-1-Si-29 FSLG-HET-COR NMR spectra revealed the orientation of 1-octanol relative
to the pore walls. These arrangements are in good agreement with the preferred
structures found by MD. In addition, MD simulations also shed light on molecular
orientations and interactions in the pore center region, which are not resolvable
by solid-state NMR.
author:
- first_name: B.
full_name: Kumari, B.
last_name: Kumari
- first_name: M.
full_name: Brodrecht, M.
last_name: Brodrecht
- first_name: H.
full_name: Breitzke, H.
last_name: Breitzke
- first_name: M.
full_name: Werner, M.
last_name: Werner
- first_name: B.
full_name: Grunberg, B.
last_name: Grunberg
- first_name: H. H.
full_name: Limbach, H. H.
last_name: Limbach
- first_name: S.
full_name: Forg, S.
last_name: Forg
- first_name: E. P.
full_name: Sanjon, E. P.
last_name: Sanjon
- first_name: B.
full_name: Drossel, B.
last_name: Drossel
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
citation:
ama: 'Kumari B, Brodrecht M, Breitzke H, et al. Mixtures of Alcohols and Water confined
in Mesoporous Silica: A Combined Solid-State NMR and Molecular Dynamics Simulation
Study. Journal of Physical Chemistry C. 2018;122(34):19540–19550. doi:10.1021/acs.jpcc.8b04745'
apa: 'Kumari, B., Brodrecht, M., Breitzke, H., Werner, M., Grunberg, B., Limbach,
H. H., Forg, S., Sanjon, E. P., Drossel, B., Gutmann, T., & Buntkowsky, G.
(2018). Mixtures of Alcohols and Water confined in Mesoporous Silica: A Combined
Solid-State NMR and Molecular Dynamics Simulation Study. Journal of Physical
Chemistry C, 122(34), 19540–19550. https://doi.org/10.1021/acs.jpcc.8b04745'
bibtex: '@article{Kumari_Brodrecht_Breitzke_Werner_Grunberg_Limbach_Forg_Sanjon_Drossel_Gutmann_et
al._2018, title={Mixtures of Alcohols and Water confined in Mesoporous Silica:
A Combined Solid-State NMR and Molecular Dynamics Simulation Study}, volume={122},
DOI={10.1021/acs.jpcc.8b04745},
number={34}, journal={Journal of Physical Chemistry C}, author={Kumari, B. and
Brodrecht, M. and Breitzke, H. and Werner, M. and Grunberg, B. and Limbach, H.
H. and Forg, S. and Sanjon, E. P. and Drossel, B. and Gutmann, Torsten and et
al.}, year={2018}, pages={19540–19550} }'
chicago: 'Kumari, B., M. Brodrecht, H. Breitzke, M. Werner, B. Grunberg, H. H. Limbach,
S. Forg, et al. “Mixtures of Alcohols and Water Confined in Mesoporous Silica:
A Combined Solid-State NMR and Molecular Dynamics Simulation Study.” Journal
of Physical Chemistry C 122, no. 34 (2018): 19540–19550. https://doi.org/10.1021/acs.jpcc.8b04745.'
ieee: 'B. Kumari et al., “Mixtures of Alcohols and Water confined in Mesoporous
Silica: A Combined Solid-State NMR and Molecular Dynamics Simulation Study,” Journal
of Physical Chemistry C, vol. 122, no. 34, pp. 19540–19550, 2018, doi: 10.1021/acs.jpcc.8b04745.'
mla: 'Kumari, B., et al. “Mixtures of Alcohols and Water Confined in Mesoporous
Silica: A Combined Solid-State NMR and Molecular Dynamics Simulation Study.” Journal
of Physical Chemistry C, vol. 122, no. 34, 2018, pp. 19540–19550, doi:10.1021/acs.jpcc.8b04745.'
short: B. Kumari, M. Brodrecht, H. Breitzke, M. Werner, B. Grunberg, H.H. Limbach,
S. Forg, E.P. Sanjon, B. Drossel, T. Gutmann, G. Buntkowsky, Journal of Physical
Chemistry C 122 (2018) 19540–19550.
date_created: 2026-02-07T15:51:48Z
date_updated: 2026-02-17T16:15:56Z
doi: 10.1021/acs.jpcc.8b04745
extern: '1'
intvolume: ' 122'
issue: '34'
language:
- iso: eng
page: 19540–19550
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
status: public
title: 'Mixtures of Alcohols and Water confined in Mesoporous Silica: A Combined Solid-State
NMR and Molecular Dynamics Simulation Study'
type: journal_article
user_id: '100715'
volume: 122
year: '2018'
...
---
_id: '63978'
abstract:
- lang: eng
text: The colligative property freezing point depression is evaluated as a means
for estimating the extent of aggregation for solutions of poly(ethylene oxide)
alcohol (C10E6) nonionic surfactant in cyclohexane. Combined with additional measurements
of self-diffusion coefficients, it is shown that both unaggregated C10E6 as well
as reverse micelles are significantly present for the entire range of measured
C10E6 concentration (0.048−2.35 mol kg−1). A change in speciation near 0.2 mol
kg−1 is indicated by the results from both freezing point depression and selfdiffusion
coefficient measurements. It is shown that average reverse micelle radii and aggregation
numbers obtained from the ratio of solvent and C10E6 self-diffusion coefficients
are consistent with prior reported results. However, unreasonably small radii
for the reverse micelles as well as for the cyclohexane were obtained from analysis
of the results by the Stokes−Einstein equation using additional measured solution
viscosities. The concentration of reverse micelles and unaggregated C10E6 was
calculated from the freezing point depression results using the aggregation numbers
obtained from ratio of self-diffusion coefficients. These concentrations indicate
that the reverse micelles become smaller in average size and increase in number
with increasing temperature without an increase in unaggregated C10E6.
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: 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, Gutmann T, Buntkowsky G. Combining Freezing Point Depression
and Self-Diffusion Data for Characterizing Aggregation. Journal of Physical
Chemistry B. 2018;122(18):4913–4921. doi:10.1021/acs.jpcb.8b03456
apa: Hoffmann, M. M., Bothe, S., Gutmann, T., & Buntkowsky, G. (2018). Combining
Freezing Point Depression and Self-Diffusion Data for Characterizing Aggregation.
Journal of Physical Chemistry B, 122(18), 4913–4921. https://doi.org/10.1021/acs.jpcb.8b03456
bibtex: '@article{Hoffmann_Bothe_Gutmann_Buntkowsky_2018, title={Combining Freezing
Point Depression and Self-Diffusion Data for Characterizing Aggregation}, volume={122},
DOI={10.1021/acs.jpcb.8b03456},
number={18}, journal={Journal of Physical Chemistry B}, publisher={American Chemical
Society}, author={Hoffmann, Markus M. and Bothe, Sarah and Gutmann, Torsten and
Buntkowsky, Gerd}, year={2018}, pages={4913–4921} }'
chicago: 'Hoffmann, Markus M., Sarah Bothe, Torsten Gutmann, and Gerd Buntkowsky.
“Combining Freezing Point Depression and Self-Diffusion Data for Characterizing
Aggregation.” Journal of Physical Chemistry B 122, no. 18 (2018): 4913–4921.
https://doi.org/10.1021/acs.jpcb.8b03456.'
ieee: 'M. M. Hoffmann, S. Bothe, T. Gutmann, and G. Buntkowsky, “Combining Freezing
Point Depression and Self-Diffusion Data for Characterizing Aggregation,” Journal
of Physical Chemistry B, vol. 122, no. 18, pp. 4913–4921, 2018, doi: 10.1021/acs.jpcb.8b03456.'
mla: Hoffmann, Markus M., et al. “Combining Freezing Point Depression and Self-Diffusion
Data for Characterizing Aggregation.” Journal of Physical Chemistry B,
vol. 122, no. 18, American Chemical Society, 2018, pp. 4913–4921, doi:10.1021/acs.jpcb.8b03456.
short: M.M. Hoffmann, S. Bothe, T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry
B 122 (2018) 4913–4921.
date_created: 2026-02-07T15:43:11Z
date_updated: 2026-02-17T16:17:10Z
doi: 10.1021/acs.jpcb.8b03456
extern: '1'
intvolume: ' 122'
issue: '18'
language:
- iso: eng
page: 4913–4921
publication: Journal of Physical Chemistry B
publisher: American Chemical Society
status: public
title: Combining Freezing Point Depression and Self-Diffusion Data for Characterizing
Aggregation
type: journal_article
user_id: '100715'
volume: 122
year: '2018'
...
---
_id: '63938'
author:
- first_name: Yuan
full_name: Cao, Yuan
last_name: Cao
- first_name: Li
full_name: Zhao, Li
last_name: Zhao
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Yeping
full_name: Xu, Yeping
last_name: Xu
- first_name: Lin
full_name: Dong, Lin
last_name: Dong
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
- first_name: Fei
full_name: Gao, Fei
last_name: Gao
citation:
ama: Cao Y, Zhao L, Gutmann T, et al. Getting Insights into the Influence of Crystal
Plane Effect of Shaped Ceria on Its Catalytic Performances. Journal of Physical
Chemistry C. 2018;122(35):20402–20409. doi:10.1021/acs.jpcc.8b06138
apa: Cao, Y., Zhao, L., Gutmann, T., Xu, Y., Dong, L., Buntkowsky, G., & Gao,
F. (2018). Getting Insights into the Influence of Crystal Plane Effect of Shaped
Ceria on Its Catalytic Performances. Journal of Physical Chemistry C, 122(35),
20402–20409. https://doi.org/10.1021/acs.jpcc.8b06138
bibtex: '@article{Cao_Zhao_Gutmann_Xu_Dong_Buntkowsky_Gao_2018, title={Getting Insights
into the Influence of Crystal Plane Effect of Shaped Ceria on Its Catalytic Performances},
volume={122}, DOI={10.1021/acs.jpcc.8b06138},
number={35}, journal={Journal of Physical Chemistry C}, publisher={American Chemical
Society}, author={Cao, Yuan and Zhao, Li and Gutmann, Torsten and Xu, Yeping and
Dong, Lin and Buntkowsky, Gerd and Gao, Fei}, year={2018}, pages={20402–20409}
}'
chicago: 'Cao, Yuan, Li Zhao, Torsten Gutmann, Yeping Xu, Lin Dong, Gerd Buntkowsky,
and Fei Gao. “Getting Insights into the Influence of Crystal Plane Effect of Shaped
Ceria on Its Catalytic Performances.” Journal of Physical Chemistry C 122,
no. 35 (2018): 20402–20409. https://doi.org/10.1021/acs.jpcc.8b06138.'
ieee: 'Y. Cao et al., “Getting Insights into the Influence of Crystal Plane
Effect of Shaped Ceria on Its Catalytic Performances,” Journal of Physical
Chemistry C, vol. 122, no. 35, pp. 20402–20409, 2018, doi: 10.1021/acs.jpcc.8b06138.'
mla: Cao, Yuan, et al. “Getting Insights into the Influence of Crystal Plane Effect
of Shaped Ceria on Its Catalytic Performances.” Journal of Physical Chemistry
C, vol. 122, no. 35, American Chemical Society, 2018, pp. 20402–20409, doi:10.1021/acs.jpcc.8b06138.
short: Y. Cao, L. Zhao, T. Gutmann, Y. Xu, L. Dong, G. Buntkowsky, F. Gao, Journal
of Physical Chemistry C 122 (2018) 20402–20409.
date_created: 2026-02-07T09:08:25Z
date_updated: 2026-02-17T16:18:45Z
doi: 10.1021/acs.jpcc.8b06138
extern: '1'
intvolume: ' 122'
issue: '35'
language:
- iso: eng
page: 20402–20409
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
publisher: American Chemical Society
status: public
title: Getting Insights into the Influence of Crystal Plane Effect of Shaped Ceria
on Its Catalytic Performances
type: journal_article
user_id: '100715'
volume: 122
year: '2018'
...
---
_id: '63940'
author:
- first_name: Laurynas
full_name: Dagys, Laurynas
last_name: Dagys
- first_name: Vytautas
full_name: Klimavicius, Vytautas
last_name: Klimavicius
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
- first_name: Vytautas
full_name: Balevicius, Vytautas
last_name: Balevicius
citation:
ama: 'Dagys L, Klimavicius V, Gutmann T, Buntkowsky G, Balevicius V. Quasi-Equilibria
and Polarization Transfer Between Adjacent and Remote Spins: 1H–13C CP MAS Kinetics
in Glycine. Journal of Physical Chemistry A. 2018;122(45):8938–8947. doi:10.1021/acs.jpca.8b09036'
apa: 'Dagys, L., Klimavicius, V., Gutmann, T., Buntkowsky, G., & Balevicius,
V. (2018). Quasi-Equilibria and Polarization Transfer Between Adjacent and Remote
Spins: 1H–13C CP MAS Kinetics in Glycine. Journal of Physical Chemistry A,
122(45), 8938–8947. https://doi.org/10.1021/acs.jpca.8b09036'
bibtex: '@article{Dagys_Klimavicius_Gutmann_Buntkowsky_Balevicius_2018, title={Quasi-Equilibria
and Polarization Transfer Between Adjacent and Remote Spins: 1H–13C CP MAS Kinetics
in Glycine}, volume={122}, DOI={10.1021/acs.jpca.8b09036},
number={45}, journal={Journal of Physical Chemistry A}, publisher={American Chemical
Society}, author={Dagys, Laurynas and Klimavicius, Vytautas and Gutmann, Torsten
and Buntkowsky, Gerd and Balevicius, Vytautas}, year={2018}, pages={8938–8947}
}'
chicago: 'Dagys, Laurynas, Vytautas Klimavicius, Torsten Gutmann, Gerd Buntkowsky,
and Vytautas Balevicius. “Quasi-Equilibria and Polarization Transfer Between Adjacent
and Remote Spins: 1H–13C CP MAS Kinetics in Glycine.” Journal of Physical Chemistry
A 122, no. 45 (2018): 8938–8947. https://doi.org/10.1021/acs.jpca.8b09036.'
ieee: 'L. Dagys, V. Klimavicius, T. Gutmann, G. Buntkowsky, and V. Balevicius, “Quasi-Equilibria
and Polarization Transfer Between Adjacent and Remote Spins: 1H–13C CP MAS Kinetics
in Glycine,” Journal of Physical Chemistry A, vol. 122, no. 45, pp. 8938–8947,
2018, doi: 10.1021/acs.jpca.8b09036.'
mla: 'Dagys, Laurynas, et al. “Quasi-Equilibria and Polarization Transfer Between
Adjacent and Remote Spins: 1H–13C CP MAS Kinetics in Glycine.” Journal of Physical
Chemistry A, vol. 122, no. 45, American Chemical Society, 2018, pp. 8938–8947,
doi:10.1021/acs.jpca.8b09036.'
short: L. Dagys, V. Klimavicius, T. Gutmann, G. Buntkowsky, V. Balevicius, Journal
of Physical Chemistry A 122 (2018) 8938–8947.
date_created: 2026-02-07T09:09:32Z
date_updated: 2026-02-17T16:18:41Z
doi: 10.1021/acs.jpca.8b09036
extern: '1'
intvolume: ' 122'
issue: '45'
language:
- iso: eng
page: 8938–8947
publication: Journal of Physical Chemistry A
publisher: American Chemical Society
status: public
title: 'Quasi-Equilibria and Polarization Transfer Between Adjacent and Remote Spins:
1H–13C CP MAS Kinetics in Glycine'
type: journal_article
user_id: '100715'
volume: 122
year: '2018'
...
---
_id: '63926'
abstract:
- lang: eng
text: Synthesis of novel trityl-nitroxyl biradicals and their performance as polarization
agents in DNP-enhanced solid-state MAS NMR spectroscopy is presented. Signal enhancements
in H-1, H-1 -{\textgreater} C-13 CP MAS, and C-13 MAS experiments obtained with
these radicals dissolved in 1,1,2,2-tetrachloroethane (TCE) solution are compared
with the enhancements obtained from TCE solutions of binitroxyl radicals. The
signal enhancements are correlated with the distance between the radical centers
of the biradicals, as determined by theoretical structure calculations. Some of
the biradical TCE solutions display direct-channel resonances in C-13 MAS experiments
as well as indirect channel resonances induced via the proton spin reservoir.
Differential scanning calorimetry reveals that only these solutions do not form
any solid crystalline phases upon rapid cooling, suggesting that molecular motions
needed for polarization transfer from radicals to C-13 via the proton spin reservoir
remain active at the experimental low temperatures of nominal 120 K. DNP magnetic
field sweep enhancement profiles for selected new biradicals are presented as
well. These indicate that the DNP transfer is dominated by the cross-effect mechanism.
author:
- first_name: S.
full_name: Bothe, S.
last_name: Bothe
- first_name: J.
full_name: Nowag, J.
last_name: Nowag
- first_name: V.
full_name: Klimavicius, V.
last_name: Klimavicius
- first_name: M.
full_name: Hoffmann, M.
last_name: Hoffmann
- first_name: T. I.
full_name: Troitskaya, T. I.
last_name: Troitskaya
- first_name: E. V.
full_name: Amosov, E. V.
last_name: Amosov
- first_name: V. M.
full_name: Tormyshev, V. M.
last_name: Tormyshev
- first_name: I.
full_name: Kirilyuk, I.
last_name: Kirilyuk
- first_name: A.
full_name: Taratayko, A.
last_name: Taratayko
- first_name: A.
full_name: Kuzhelev, A.
last_name: Kuzhelev
- first_name: D.
full_name: Parkhomenko, D.
last_name: Parkhomenko
- first_name: E.
full_name: Bagryanskaya, E.
last_name: Bagryanskaya
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
citation:
ama: Bothe S, Nowag J, Klimavicius V, et al. Novel Biradicals for Direct Excitation
Highfield Dynamic Nuclear Polarization. Journal of Physical Chemistry C.
2018;122(21):11422–11432. doi:10.1021/acs.jpcc.8b02570
apa: Bothe, S., Nowag, J., Klimavicius, V., Hoffmann, M., Troitskaya, T. I., Amosov,
E. V., Tormyshev, V. M., Kirilyuk, I., Taratayko, A., Kuzhelev, A., Parkhomenko,
D., Bagryanskaya, E., Gutmann, T., & Buntkowsky, G. (2018). Novel Biradicals
for Direct Excitation Highfield Dynamic Nuclear Polarization. Journal of Physical
Chemistry C, 122(21), 11422–11432. https://doi.org/10.1021/acs.jpcc.8b02570
bibtex: '@article{Bothe_Nowag_Klimavicius_Hoffmann_Troitskaya_Amosov_Tormyshev_Kirilyuk_Taratayko_Kuzhelev_et
al._2018, title={Novel Biradicals for Direct Excitation Highfield Dynamic Nuclear
Polarization}, volume={122}, DOI={10.1021/acs.jpcc.8b02570},
number={21}, journal={Journal of Physical Chemistry C}, author={Bothe, S. and
Nowag, J. and Klimavicius, V. and Hoffmann, M. and Troitskaya, T. I. and Amosov,
E. V. and Tormyshev, V. M. and Kirilyuk, I. and Taratayko, A. and Kuzhelev, A.
and et al.}, year={2018}, pages={11422–11432} }'
chicago: 'Bothe, S., J. Nowag, V. Klimavicius, M. Hoffmann, T. I. Troitskaya, E.
V. Amosov, V. M. Tormyshev, et al. “Novel Biradicals for Direct Excitation Highfield
Dynamic Nuclear Polarization.” Journal of Physical Chemistry C 122, no.
21 (2018): 11422–11432. https://doi.org/10.1021/acs.jpcc.8b02570.'
ieee: 'S. Bothe et al., “Novel Biradicals for Direct Excitation Highfield
Dynamic Nuclear Polarization,” Journal of Physical Chemistry C, vol. 122,
no. 21, pp. 11422–11432, 2018, doi: 10.1021/acs.jpcc.8b02570.'
mla: Bothe, S., et al. “Novel Biradicals for Direct Excitation Highfield Dynamic
Nuclear Polarization.” Journal of Physical Chemistry C, vol. 122, no. 21,
2018, pp. 11422–11432, doi:10.1021/acs.jpcc.8b02570.
short: S. Bothe, J. Nowag, V. Klimavicius, M. Hoffmann, T.I. Troitskaya, E.V. Amosov,
V.M. Tormyshev, I. Kirilyuk, A. Taratayko, A. Kuzhelev, D. Parkhomenko, E. Bagryanskaya,
T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry C 122 (2018) 11422–11432.
date_created: 2026-02-07T08:59:17Z
date_updated: 2026-02-17T16:19:13Z
doi: 10.1021/acs.jpcc.8b02570
extern: '1'
intvolume: ' 122'
issue: '21'
language:
- iso: eng
page: 11422–11432
publication: Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
status: public
title: Novel Biradicals for Direct Excitation Highfield Dynamic Nuclear Polarization
type: journal_article
user_id: '100715'
volume: 122
year: '2018'
...
---
_id: '63928'
abstract:
- lang: eng
text: A series of novel functionalized mesoporous silica-based materials with well-defined
pore diameters, surface functionalization and surface morphology is synthesized
by co-condensation or grafting techniques and characterized by solid-state NMR
spectroscopy, DNP enhanced solid state-NMR and thermodynamic techniques. These
materials are employed as host-systems for small-guest molecules like water, small
alcohols, carbonic acids, small aromatic molecules, binary mixtures and others.
The phase-behavior of these confined guests is studied by combinations of one
dimensional solid-state NMR techniques (H-1 MAS, H-2-line shape analysis, C-13
CPMAS) and two-dimensional correlation experiments like H-1-Si-29- solid-state
HETCOR.
author:
- first_name: M.
full_name: Brodrecht, M.
last_name: Brodrecht
- first_name: B.
full_name: Kumari, B.
last_name: Kumari
- first_name: H.
full_name: Breitzke, H.
last_name: Breitzke
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: G.
full_name: Buntkowsky, G.
last_name: Buntkowsky
citation:
ama: Brodrecht M, Kumari B, Breitzke H, Gutmann T, Buntkowsky G. Chemically Modified
Silica Materials as Model Systems for the Characterization of Water-Surface Interactions.
Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical
Chemistry & Chemical Physics. 2018;232(7-8):1127–1146. doi:10.1515/zpch-2017-1059
apa: Brodrecht, M., Kumari, B., Breitzke, H., Gutmann, T., & Buntkowsky, G.
(2018). Chemically Modified Silica Materials as Model Systems for the Characterization
of Water-Surface Interactions. Zeitschrift Fur Physikalische Chemie-International
Journal of Research in Physical Chemistry & Chemical Physics, 232(7–8),
1127–1146. https://doi.org/10.1515/zpch-2017-1059
bibtex: '@article{Brodrecht_Kumari_Breitzke_Gutmann_Buntkowsky_2018, title={Chemically
Modified Silica Materials as Model Systems for the Characterization of Water-Surface
Interactions}, volume={232}, DOI={10.1515/zpch-2017-1059},
number={7–8}, journal={Zeitschrift Fur Physikalische Chemie-International Journal
of Research in Physical Chemistry & Chemical Physics}, author={Brodrecht,
M. and Kumari, B. and Breitzke, H. and Gutmann, Torsten and Buntkowsky, G.}, year={2018},
pages={1127–1146} }'
chicago: 'Brodrecht, M., B. Kumari, H. Breitzke, Torsten Gutmann, and G. Buntkowsky.
“Chemically Modified Silica Materials as Model Systems for the Characterization
of Water-Surface Interactions.” Zeitschrift Fur Physikalische Chemie-International
Journal of Research in Physical Chemistry & Chemical Physics 232, no.
7–8 (2018): 1127–1146. https://doi.org/10.1515/zpch-2017-1059.'
ieee: 'M. Brodrecht, B. Kumari, H. Breitzke, T. Gutmann, and G. Buntkowsky, “Chemically
Modified Silica Materials as Model Systems for the Characterization of Water-Surface
Interactions,” Zeitschrift Fur Physikalische Chemie-International Journal of
Research in Physical Chemistry & Chemical Physics, vol. 232, no. 7–8,
pp. 1127–1146, 2018, doi: 10.1515/zpch-2017-1059.'
mla: Brodrecht, M., et al. “Chemically Modified Silica Materials as Model Systems
for the Characterization of Water-Surface Interactions.” Zeitschrift Fur Physikalische
Chemie-International Journal of Research in Physical Chemistry & Chemical
Physics, vol. 232, no. 7–8, 2018, pp. 1127–1146, doi:10.1515/zpch-2017-1059.
short: M. Brodrecht, B. Kumari, H. Breitzke, T. Gutmann, G. Buntkowsky, Zeitschrift
Fur Physikalische Chemie-International Journal of Research in Physical Chemistry
& Chemical Physics 232 (2018) 1127–1146.
date_created: 2026-02-07T09:00:34Z
date_updated: 2026-02-17T16:19:09Z
doi: 10.1515/zpch-2017-1059
extern: '1'
intvolume: ' 232'
issue: 7-8
language:
- iso: eng
page: 1127–1146
publication: Zeitschrift Fur Physikalische Chemie-International Journal of Research
in Physical Chemistry & Chemical Physics
publication_identifier:
issn:
- 0942-9352
status: public
title: Chemically Modified Silica Materials as Model Systems for the Characterization
of Water-Surface Interactions
type: journal_article
user_id: '100715'
volume: 232
year: '2018'
...
---
_id: '63929'
author:
- first_name: Martin
full_name: Brodrecht, Martin
last_name: Brodrecht
- 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, Breitzke H, Gutmann T, Buntkowsky G. Biofunctionalization of Nano
Channels by Direct In-Pore Solid-Phase Peptide Synthesis. Chemistry A European
Journal. 2018;24(67):17814–17822. doi:10.1002/chem.201804065
apa: Brodrecht, M., Breitzke, H., Gutmann, T., & Buntkowsky, G. (2018). Biofunctionalization
of Nano Channels by Direct In-Pore Solid-Phase Peptide Synthesis. Chemistry
A European Journal, 24(67), 17814–17822. https://doi.org/10.1002/chem.201804065
bibtex: '@article{Brodrecht_Breitzke_Gutmann_Buntkowsky_2018, title={Biofunctionalization
of Nano Channels by Direct In-Pore Solid-Phase Peptide Synthesis}, volume={24},
DOI={10.1002/chem.201804065},
number={67}, journal={Chemistry A European Journal}, author={Brodrecht, Martin
and Breitzke, Hergen and Gutmann, Torsten and Buntkowsky, Gerd}, year={2018},
pages={17814–17822} }'
chicago: 'Brodrecht, Martin, Hergen Breitzke, Torsten Gutmann, and Gerd Buntkowsky.
“Biofunctionalization of Nano Channels by Direct In-Pore Solid-Phase Peptide Synthesis.”
Chemistry A European Journal 24, no. 67 (2018): 17814–17822. https://doi.org/10.1002/chem.201804065.'
ieee: 'M. Brodrecht, H. Breitzke, T. Gutmann, and G. Buntkowsky, “Biofunctionalization
of Nano Channels by Direct In-Pore Solid-Phase Peptide Synthesis,” Chemistry
A European Journal, vol. 24, no. 67, pp. 17814–17822, 2018, doi: 10.1002/chem.201804065.'
mla: Brodrecht, Martin, et al. “Biofunctionalization of Nano Channels by Direct
In-Pore Solid-Phase Peptide Synthesis.” Chemistry A European Journal, vol.
24, no. 67, 2018, pp. 17814–17822, doi:10.1002/chem.201804065.
short: M. Brodrecht, H. Breitzke, T. Gutmann, G. Buntkowsky, Chemistry A European
Journal 24 (2018) 17814–17822.
date_created: 2026-02-07T09:00:57Z
date_updated: 2026-02-17T16:19:07Z
doi: 10.1002/chem.201804065
extern: '1'
intvolume: ' 24'
issue: '67'
language:
- iso: eng
page: 17814–17822
publication: Chemistry A European Journal
status: public
title: Biofunctionalization of Nano Channels by Direct In-Pore Solid-Phase Peptide
Synthesis
type: journal_article
user_id: '100715'
volume: 24
year: '2018'
...
---
_id: '63924'
abstract:
- lang: eng
text: In a systematic study on the synthesis of aluminophosphates (AlPOs) under
ionothermal conditions, initially using 1-butyl-3-methylimidazolium bromide ([C4mim]Br)
as ionic liquid solvent and structure-directing agent, the effect of the reaction
conditions (i.e. molar P/Al, F/Al and ionic liquid/Al ratios, alternative fluoride
sources, influence of the ionic liquid’s cation or anion, temperature, reaction
time) on the framework type was studied in detail. In [C4mim]Br, the formation
of the more thermodynamically stable AEL framework type proceeds via AFI. The
framework type can be changed by choosing another anion or cation of the ionic
liquid. Hence, the successful ionothermal synthesis of the AFI framework AlPO
is reported by using either N-ethylpyridinium bromide ([C2py]Br) or 1-butyl-3-methylimidazolium
chloride ([C4mim]Cl). The mineraliser [Me4N]F, rather than HF, has been used for
the first time as an alternative fluoride source in ionothermal synthesis, which
can also affect the framework type. Hence, a very efficient synthesis of the LTA
framework type is reported in [C4mim]Br using [Me4N]F. Ab initio molecular dynamics
(AIMD) studies showed that the anion bridges between the aluminium atoms of the
framework and the cation. The interaction is more favoured in the presence of
the bromide than the chloride, which may be a clue to the question why the AEL
framework is not formed in the chloride-based ionic liquid. This study opens several
routes to pursue in the future as numerous ionic liquids are available which can
be used in ionothermal synthesis.
author:
- first_name: Muhammad Mohsin
full_name: Azim, Muhammad Mohsin
last_name: Azim
- first_name: Alfonso
full_name: Pensado, Alfonso
last_name: Pensado
- first_name: Barbara
full_name: Kirchner, Barbara
last_name: Kirchner
- 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
- first_name: Annegret
full_name: Stark, Annegret
last_name: Stark
citation:
ama: 'Azim MM, Pensado A, Kirchner B, et al. Ionothermal synthesis of crystalline
microporous aluminophosphates: Systematic study on the conditions affecting the
framework type. Microporous and Mesoporous Materials. 2018;266:204–213.
doi:10.1016/j.micromeso.2018.02.053'
apa: 'Azim, M. M., Pensado, A., Kirchner, B., Gutmann, T., Groszewicz, P. B., Buntkowsky,
G., & Stark, A. (2018). Ionothermal synthesis of crystalline microporous aluminophosphates:
Systematic study on the conditions affecting the framework type. Microporous
and Mesoporous Materials, 266, 204–213. https://doi.org/10.1016/j.micromeso.2018.02.053'
bibtex: '@article{Azim_Pensado_Kirchner_Gutmann_Groszewicz_Buntkowsky_Stark_2018,
title={Ionothermal synthesis of crystalline microporous aluminophosphates: Systematic
study on the conditions affecting the framework type}, volume={266}, DOI={10.1016/j.micromeso.2018.02.053},
journal={Microporous and Mesoporous Materials}, author={Azim, Muhammad Mohsin
and Pensado, Alfonso and Kirchner, Barbara and Gutmann, Torsten and Groszewicz,
Pedro B. and Buntkowsky, Gerd and Stark, Annegret}, year={2018}, pages={204–213}
}'
chicago: 'Azim, Muhammad Mohsin, Alfonso Pensado, Barbara Kirchner, Torsten Gutmann,
Pedro B. Groszewicz, Gerd Buntkowsky, and Annegret Stark. “Ionothermal Synthesis
of Crystalline Microporous Aluminophosphates: Systematic Study on the Conditions
Affecting the Framework Type.” Microporous and Mesoporous Materials 266
(2018): 204–213. https://doi.org/10.1016/j.micromeso.2018.02.053.'
ieee: 'M. M. Azim et al., “Ionothermal synthesis of crystalline microporous
aluminophosphates: Systematic study on the conditions affecting the framework
type,” Microporous and Mesoporous Materials, vol. 266, pp. 204–213, 2018,
doi: 10.1016/j.micromeso.2018.02.053.'
mla: 'Azim, Muhammad Mohsin, et al. “Ionothermal Synthesis of Crystalline Microporous
Aluminophosphates: Systematic Study on the Conditions Affecting the Framework
Type.” Microporous and Mesoporous Materials, vol. 266, 2018, pp. 204–213,
doi:10.1016/j.micromeso.2018.02.053.'
short: M.M. Azim, A. Pensado, B. Kirchner, T. Gutmann, P.B. Groszewicz, G. Buntkowsky,
A. Stark, Microporous and Mesoporous Materials 266 (2018) 204–213.
date_created: 2026-02-07T08:58:23Z
date_updated: 2026-02-17T16:19:17Z
doi: 10.1016/j.micromeso.2018.02.053
extern: '1'
intvolume: ' 266'
keyword:
- Aluminophosphates
- Ionic liquids
- Ionothermal synthesis
- Microporous materials
- Zeolite analogous
language:
- iso: eng
page: 204–213
publication: Microporous and Mesoporous Materials
status: public
title: 'Ionothermal synthesis of crystalline microporous aluminophosphates: Systematic
study on the conditions affecting the framework type'
type: journal_article
user_id: '100715'
volume: 266
year: '2018'
...
---
_id: '64156'
author:
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
- first_name: Graham
full_name: Webb, Graham
last_name: Webb
citation:
ama: Gutmann T, Buntkowsky G, Webb G. Modern Magnetic Resonance. Springer
International Publishing; 2017.
apa: Gutmann, T., Buntkowsky, G., & Webb, G. (2017). Modern Magnetic Resonance.
Springer International Publishing.
bibtex: '@book{Gutmann_Buntkowsky_Webb_2017, place={Cham}, title={Modern Magnetic
Resonance}, publisher={Springer International Publishing}, author={Gutmann, Torsten
and Buntkowsky, Gerd and Webb, Graham}, year={2017} }'
chicago: 'Gutmann, Torsten, Gerd Buntkowsky, and Graham Webb. Modern Magnetic
Resonance. Cham: Springer International Publishing, 2017.'
ieee: 'T. Gutmann, G. Buntkowsky, and G. Webb, Modern Magnetic Resonance.
Cham: Springer International Publishing, 2017.'
mla: Gutmann, Torsten, et al. Modern Magnetic Resonance. Springer International
Publishing, 2017.
short: T. Gutmann, G. Buntkowsky, G. Webb, Modern Magnetic Resonance, Springer International
Publishing, Cham, 2017.
date_created: 2026-02-15T18:38:48Z
date_updated: 2026-02-17T16:12:34Z
language:
- iso: eng
place: Cham
publication_identifier:
isbn:
- 978-3-319-28275-6
publisher: Springer International Publishing
status: public
title: Modern Magnetic Resonance
type: book
user_id: '100715'
year: '2017'
...
---
_id: '64053'
abstract:
- lang: eng
text: The utilization and preparation of functional hybrid films for optical sensing
applications and membranes is of utmost importance. In this work, we report the
convenient and scalable preparation of self-crosslinking particle-based films
derived by directed self-assembly of alkoxysilane-based cross-linkers as part
of a core-shell particle architecture. The synthesis of well-designed monodisperse
core-shell particles by emulsion polymerization is the basic prerequisite for
subsequent particle processing via the melt-shear organization technique. In more
detail, the core particles consist of polystyrene (PS) or poly(methyl methacrylate)
(PMMA), while the comparably soft particle shell consists of poly(ethyl acrylate)
(PEA) and different alkoxysilane-based poly(methacrylate)s. For hybrid film formation
and convenient self-cross-linking, different alkyl groups at the siloxane moieties
were investigated in detail by solid-state Magic-Angle Spinning Nuclear Magnetic
Resonance (MAS, NMR) spectroscopy revealing different crosslinking capabilities,
which strongly influence the properties of the core or shell particle films with
respect to transparency and iridescent reflection colors. Furthermore, solid-state
NMR spectroscopy and investigation of the thermal properties by differential scanning
calorimetry (DSC) measurements allow for insights into the cross-linking capabilities
prior to and after synthesis, as well as after the thermally and pressure-induced
processing steps. Subsequently, free-standing and self-crosslinked particle-based
films featuring excellent particle order are obtained by application of the melt-shear
organization technique, as shown by microscopy (TEM, SEM).
author:
- first_name: S.
full_name: Vowinkel, S.
last_name: Vowinkel
- first_name: S.
full_name: Paul, S.
last_name: Paul
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: M.
full_name: Gallei, M.
last_name: Gallei
citation:
ama: Vowinkel S, Paul S, Gutmann T, Gallei M. Free-Standing and Self-Crosslinkable
Hybrid Films by Core-Shell Particle Design and Processing. Nanomaterials.
2017;7(11):390. doi:10.3390/nano7110390
apa: Vowinkel, S., Paul, S., Gutmann, T., & Gallei, M. (2017). Free-Standing
and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing.
Nanomaterials, 7(11), 390. https://doi.org/10.3390/nano7110390
bibtex: '@article{Vowinkel_Paul_Gutmann_Gallei_2017, title={Free-Standing and Self-Crosslinkable
Hybrid Films by Core-Shell Particle Design and Processing}, volume={7}, DOI={10.3390/nano7110390}, number={11},
journal={Nanomaterials}, author={Vowinkel, S. and Paul, S. and Gutmann, Torsten
and Gallei, M.}, year={2017}, pages={390} }'
chicago: 'Vowinkel, S., S. Paul, Torsten Gutmann, and M. Gallei. “Free-Standing
and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing.”
Nanomaterials 7, no. 11 (2017): 390. https://doi.org/10.3390/nano7110390.'
ieee: 'S. Vowinkel, S. Paul, T. Gutmann, and M. Gallei, “Free-Standing and Self-Crosslinkable
Hybrid Films by Core-Shell Particle Design and Processing,” Nanomaterials,
vol. 7, no. 11, p. 390, 2017, doi: 10.3390/nano7110390.'
mla: Vowinkel, S., et al. “Free-Standing and Self-Crosslinkable Hybrid Films by
Core-Shell Particle Design and Processing.” Nanomaterials, vol. 7, no.
11, 2017, p. 390, doi:10.3390/nano7110390.
short: S. Vowinkel, S. Paul, T. Gutmann, M. Gallei, Nanomaterials 7 (2017) 390.
date_created: 2026-02-07T16:15:23Z
date_updated: 2026-02-17T16:12:54Z
doi: 10.3390/nano7110390
extern: '1'
intvolume: ' 7'
issue: '11'
keyword:
- Materials Science
- Science & Technology - Other Topics
- solid-state nmr
- spectroscopy
- catalysts
- colloidal crystals
- colloids
- cross-linking
- elastomeric opal films
- emulsion polymerization
- gamma-methacryloxypropyltrimethoxysilane
- hybrid films
- melt-shear organization
- nanoparticles
- particle
- photons
- polymers
- processing
- self-assembly
- transition
language:
- iso: eng
page: '390'
publication: Nanomaterials
publication_identifier:
issn:
- 2079-4991
status: public
title: Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design
and Processing
type: journal_article
user_id: '100715'
volume: 7
year: '2017'
...
---
_id: '64057'
abstract:
- lang: eng
text: Self-assembly of nanoparticles (NPs) forming unique structures has been investigated
extensively over the past few years. However, many self-assembled structures by
NPs are irreversible, because they are generally constructed using their suspensions.
It is still challenging for NPs to reversibly self-assemble in dry state, let
alone of polymeric NPs with general sizes of hundreds of nm. Herein, this study
reports a new reversible self-assembly phenomenon of NPs in dry state, forming
thermoreversible strip-like supermolecular structures. These novel NPs of around
150 nm are perfluorinated surface-undecenoated cellulose nanoparticles (FSU-CNPs)
with a core-coronas structure. The thermoreversible self-assembled structure is
formed after drying in the air at the interface between FSU-CNP films and Teflon
substrates. Remarkably, the formation and dissociation of this assembled structure
are accompanied by a reversible conversion of the surface hydrophobicity, film
transparency, and anisotropic properties. These findings show novel feasibility
of reversible self-assembly of NPs in dry state, and thereby expand our knowledge
of self-assembly phenomenon.
author:
- first_name: Yonggui
full_name: Wang, Yonggui
last_name: Wang
- first_name: Pedro B.
full_name: Groszewicz, Pedro B.
last_name: Groszewicz
- first_name: Sabine
full_name: Rosenfeldt, Sabine
last_name: Rosenfeldt
- first_name: Hendrik
full_name: Schmidt, Hendrik
last_name: Schmidt
- first_name: Cynthia A.
full_name: Volkert, Cynthia A.
last_name: Volkert
- first_name: Philipp
full_name: Vana, Philipp
last_name: Vana
- first_name: Torsten
full_name: Gutmann, Torsten
id: '118165'
last_name: Gutmann
- first_name: Gerd
full_name: Buntkowsky, Gerd
last_name: Buntkowsky
- first_name: Kai
full_name: Zhang, Kai
last_name: Zhang
citation:
ama: Wang Y, Groszewicz PB, Rosenfeldt S, et al. Thermoreversible Self-Assembly
of Perfluorinated Core-Coronas Cellulose-Nanoparticles in Dry State. Advanced
Materials. Published online 2017:1702473. doi:10.1002/adma.201702473
apa: Wang, Y., Groszewicz, P. B., Rosenfeldt, S., Schmidt, H., Volkert, C. A., Vana,
P., Gutmann, T., Buntkowsky, G., & Zhang, K. (2017). Thermoreversible Self-Assembly
of Perfluorinated Core-Coronas Cellulose-Nanoparticles in Dry State. Advanced
Materials, 1702473. https://doi.org/10.1002/adma.201702473
bibtex: '@article{Wang_Groszewicz_Rosenfeldt_Schmidt_Volkert_Vana_Gutmann_Buntkowsky_Zhang_2017,
title={Thermoreversible Self-Assembly of Perfluorinated Core-Coronas Cellulose-Nanoparticles
in Dry State}, DOI={10.1002/adma.201702473},
journal={Advanced Materials}, author={Wang, Yonggui and Groszewicz, Pedro B. and
Rosenfeldt, Sabine and Schmidt, Hendrik and Volkert, Cynthia A. and Vana, Philipp
and Gutmann, Torsten and Buntkowsky, Gerd and Zhang, Kai}, year={2017}, pages={1702473}
}'
chicago: Wang, Yonggui, Pedro B. Groszewicz, Sabine Rosenfeldt, Hendrik Schmidt,
Cynthia A. Volkert, Philipp Vana, Torsten Gutmann, Gerd Buntkowsky, and Kai Zhang.
“Thermoreversible Self-Assembly of Perfluorinated Core-Coronas Cellulose-Nanoparticles
in Dry State.” Advanced Materials, 2017, 1702473. https://doi.org/10.1002/adma.201702473.
ieee: 'Y. Wang et al., “Thermoreversible Self-Assembly of Perfluorinated
Core-Coronas Cellulose-Nanoparticles in Dry State,” Advanced Materials,
p. 1702473, 2017, doi: 10.1002/adma.201702473.'
mla: Wang, Yonggui, et al. “Thermoreversible Self-Assembly of Perfluorinated Core-Coronas
Cellulose-Nanoparticles in Dry State.” Advanced Materials, 2017, p. 1702473,
doi:10.1002/adma.201702473.
short: Y. Wang, P.B. Groszewicz, S. Rosenfeldt, H. Schmidt, C.A. Volkert, P. Vana,
T. Gutmann, G. Buntkowsky, K. Zhang, Advanced Materials (2017) 1702473.
date_created: 2026-02-07T16:16:37Z
date_updated: 2026-02-17T16:12:48Z
doi: 10.1002/adma.201702473
extern: '1'
keyword:
- nanoparticles
- self-assembly
- cellulose
- core-coronas structure
- thermoreversible
language:
- iso: eng
page: '1702473'
publication: Advanced Materials
status: public
title: Thermoreversible Self-Assembly of Perfluorinated Core-Coronas Cellulose-Nanoparticles
in Dry State
type: journal_article
user_id: '100715'
year: '2017'
...