---
_id: '25896'
abstract:
- lang: eng
text: In this report, a flame spray pyrolysis setup has been examined with various
in situ extraction methods of particle samples along the flame axis. First, two
precursor formulations leading to the formation of iron oxide nanoparticles were
used in a standardized SpraySyn burner system, and the final particle outcome
was characterized by a broad range of established powder characterization techniques
(TEM/HRTEM, SAXS, XRD, BET). The characterization of the powder products evidenced
that mostly homogeneous gas-to-particle conversion takes place when applying an
acidic precursor solution, whereas the absence of the acid leads to a dominant
droplet-to-particle pathway. Our study indicates that a droplet-to-particle-pathway
could be present even when processing the acidic formulation. However, even if
a secondary pathway might take place in this case as well, it is not dominant
and nearly negligible. Subsequently, the in situ particle structure evolution
was investigated for the dominant gas-to-particle pathway, and particles were
extracted along the flame axis for online SMPS and offline TEM/HRTEM analysis.
Due to the highly reactive conditions within the flame (high temperatures, turbulent
flow field, high particle number concentrations), the extraction of representative
samples from spray flames is challenging. In order to handle the reactive conditions,
two extraction techniques were tailored in this report. To extract an aerosol
sample within the flame for SMPS measurement, a Hole in a Tube probe was adjusted.
Thus, the mobility particle diameter as well as the corresponding distribution
widths were obtained at different heights above the burner along the flame axis.
For TEM/HRTEM image analysis, particle samples were collected thermophoretically
by means of a tailored shutter system. Since all sampling grids were protected
until reaching the flame axis and due to the low sampling time, momentary captures
of local particle structures could be extracted precisely. The particle morphologies
have clearly shown an evolution from spherical and paired particles in the flame
center to fractal and compact agglomerates at later synthesis stages.
article_number: '105722'
article_type: original
author:
- first_name: R.
full_name: Tischendorf, R.
last_name: Tischendorf
- first_name: M.
full_name: Simmler, M.
last_name: Simmler
- first_name: Christian
full_name: Weinberger, Christian
id: '11848'
last_name: Weinberger
- first_name: M.
full_name: Bieber, M.
last_name: Bieber
- first_name: M.
full_name: Reddemann, M.
last_name: Reddemann
- first_name: F.
full_name: Fröde, F.
last_name: Fröde
- first_name: J.
full_name: Lindner, J.
last_name: Lindner
- first_name: H.
full_name: Pitsch, H.
last_name: Pitsch
- first_name: R.
full_name: Kneer, R.
last_name: Kneer
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: H.
full_name: Nirschl, H.
last_name: Nirschl
- first_name: H.-J.
full_name: Schmid, H.-J.
last_name: Schmid
citation:
ama: Tischendorf R, Simmler M, Weinberger C, et al. Examination of the evolution
of iron oxide nanoparticles in flame spray pyrolysis by tailored in situ particle
sampling techniques. Journal of Aerosol Science. Published online 2021.
doi:10.1016/j.jaerosci.2020.105722
apa: Tischendorf, R., Simmler, M., Weinberger, C., Bieber, M., Reddemann, M., Fröde,
F., Lindner, J., Pitsch, H., Kneer, R., Tiemann, M., Nirschl, H., & Schmid,
H.-J. (2021). Examination of the evolution of iron oxide nanoparticles in flame
spray pyrolysis by tailored in situ particle sampling techniques. Journal of
Aerosol Science, Article 105722. https://doi.org/10.1016/j.jaerosci.2020.105722
bibtex: '@article{Tischendorf_Simmler_Weinberger_Bieber_Reddemann_Fröde_Lindner_Pitsch_Kneer_Tiemann_et
al._2021, title={Examination of the evolution of iron oxide nanoparticles in flame
spray pyrolysis by tailored in situ particle sampling techniques}, DOI={10.1016/j.jaerosci.2020.105722},
number={105722}, journal={Journal of Aerosol Science}, author={Tischendorf, R.
and Simmler, M. and Weinberger, Christian and Bieber, M. and Reddemann, M. and
Fröde, F. and Lindner, J. and Pitsch, H. and Kneer, R. and Tiemann, Michael and
et al.}, year={2021} }'
chicago: Tischendorf, R., M. Simmler, Christian Weinberger, M. Bieber, M. Reddemann,
F. Fröde, J. Lindner, et al. “Examination of the Evolution of Iron Oxide Nanoparticles
in Flame Spray Pyrolysis by Tailored in Situ Particle Sampling Techniques.” Journal
of Aerosol Science, 2021. https://doi.org/10.1016/j.jaerosci.2020.105722.
ieee: 'R. Tischendorf et al., “Examination of the evolution of iron oxide
nanoparticles in flame spray pyrolysis by tailored in situ particle sampling techniques,”
Journal of Aerosol Science, Art. no. 105722, 2021, doi: 10.1016/j.jaerosci.2020.105722.'
mla: Tischendorf, R., et al. “Examination of the Evolution of Iron Oxide Nanoparticles
in Flame Spray Pyrolysis by Tailored in Situ Particle Sampling Techniques.” Journal
of Aerosol Science, 105722, 2021, doi:10.1016/j.jaerosci.2020.105722.
short: R. Tischendorf, M. Simmler, C. Weinberger, M. Bieber, M. Reddemann, F. Fröde,
J. Lindner, H. Pitsch, R. Kneer, M. Tiemann, H. Nirschl, H.-J. Schmid, Journal
of Aerosol Science (2021).
date_created: 2021-10-08T10:07:18Z
date_updated: 2023-03-08T08:07:30Z
department:
- _id: '9'
- _id: '35'
- _id: '2'
- _id: '307'
doi: 10.1016/j.jaerosci.2020.105722
language:
- iso: eng
publication: Journal of Aerosol Science
publication_identifier:
issn:
- 0021-8502
publication_status: published
quality_controlled: '1'
status: public
title: Examination of the evolution of iron oxide nanoparticles in flame spray pyrolysis
by tailored in situ particle sampling techniques
type: journal_article
user_id: '23547'
year: '2021'
...
---
_id: '22635'
abstract:
- lang: eng
text: Photodynamic therapy (PDT) using TiO2 nanoparticles has become an important
alternative treatment for different types of cancer due to their high photocatalytic
activity and high absorption of UV-A light. To potentiate this treatment, we have
coated commercial glass plates with TiO2 nanoparticles prepared by the sol–gel
method (TiO2-m), which exhibit a remarkable selectivity for the irreversible trapping
of cancer cells. The physicochemical properties of the deposited TiO2-m nanoparticle
coatings have been characterized by a number of complementary surface-analytical
techniques and their interaction with leukemia and healthy blood cells were investigated.
Scanning electron and atomic force microscopy verify the formation of a compact
layer of TiO2-m nanoparticles. The particles are predominantly in the anatase
phase and have hydroxyl-terminated surfaces as revealed by Raman, X-ray photoelectron,
and infrared spectroscopy, as well as X-ray diffraction. We find that lymphoblastic
leukemia cells adhere to the TiO2-m coating and undergo amoeboid-like migration,
whereas lymphocytic cells show distinctly weaker interactions with the coating.
This evidences the potential of this nanomaterial coating to selectively trap
cancer cells and renders it a promising candidate for the development of future
prototypes of PDT devices for the treatment of leukemia and other types of cancers
with non-adherent cells.
article_type: original
author:
- first_name: Jaime Andres
full_name: Garcia Diosa, Jaime Andres
last_name: Garcia Diosa
- first_name: Alejandro
full_name: Gonzalez Orive, Alejandro
last_name: Gonzalez Orive
- first_name: Christian
full_name: Weinberger, Christian
id: '11848'
last_name: Weinberger
- first_name: Sabrina
full_name: Schwiderek, Sabrina
last_name: Schwiderek
- first_name: Steffen
full_name: Knust, Steffen
last_name: Knust
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Guido
full_name: Grundmeier, Guido
id: '194'
last_name: Grundmeier
- first_name: Adrian
full_name: Keller, Adrian
id: '48864'
last_name: Keller
orcid: 0000-0001-7139-3110
- first_name: Ruben Jesus
full_name: Camargo Amado, Ruben Jesus
last_name: Camargo Amado
citation:
ama: 'Garcia Diosa JA, Gonzalez Orive A, Weinberger C, et al. TiO2 nanoparticle
coatings on glass surfaces for the selective trapping of leukemia cells from peripheral
blood. Journal of Biomedical Materials Research Part B: Applied Biomaterials.
2021;109:2142–2153. doi:10.1002/jbm.b.34862'
apa: 'Garcia Diosa, J. A., Gonzalez Orive, A., Weinberger, C., Schwiderek, S., Knust,
S., Tiemann, M., Grundmeier, G., Keller, A., & Camargo Amado, R. J. (2021).
TiO2 nanoparticle coatings on glass surfaces for the selective trapping of leukemia
cells from peripheral blood. Journal of Biomedical Materials Research Part
B: Applied Biomaterials, 109, 2142–2153. https://doi.org/10.1002/jbm.b.34862'
bibtex: '@article{Garcia Diosa_Gonzalez Orive_Weinberger_Schwiderek_Knust_Tiemann_Grundmeier_Keller_Camargo
Amado_2021, title={TiO2 nanoparticle coatings on glass surfaces for the selective
trapping of leukemia cells from peripheral blood}, volume={109}, DOI={10.1002/jbm.b.34862},
journal={Journal of Biomedical Materials Research Part B: Applied Biomaterials},
author={Garcia Diosa, Jaime Andres and Gonzalez Orive, Alejandro and Weinberger,
Christian and Schwiderek, Sabrina and Knust, Steffen and Tiemann, Michael and
Grundmeier, Guido and Keller, Adrian and Camargo Amado, Ruben Jesus}, year={2021},
pages={2142–2153} }'
chicago: 'Garcia Diosa, Jaime Andres, Alejandro Gonzalez Orive, Christian Weinberger,
Sabrina Schwiderek, Steffen Knust, Michael Tiemann, Guido Grundmeier, Adrian Keller,
and Ruben Jesus Camargo Amado. “TiO2 Nanoparticle Coatings on Glass Surfaces for
the Selective Trapping of Leukemia Cells from Peripheral Blood.” Journal of
Biomedical Materials Research Part B: Applied Biomaterials 109 (2021): 2142–2153.
https://doi.org/10.1002/jbm.b.34862.'
ieee: 'J. A. Garcia Diosa et al., “TiO2 nanoparticle coatings on glass surfaces
for the selective trapping of leukemia cells from peripheral blood,” Journal
of Biomedical Materials Research Part B: Applied Biomaterials, vol. 109, pp.
2142–2153, 2021, doi: 10.1002/jbm.b.34862.'
mla: 'Garcia Diosa, Jaime Andres, et al. “TiO2 Nanoparticle Coatings on Glass Surfaces
for the Selective Trapping of Leukemia Cells from Peripheral Blood.” Journal
of Biomedical Materials Research Part B: Applied Biomaterials, vol. 109, 2021,
pp. 2142–2153, doi:10.1002/jbm.b.34862.'
short: 'J.A. Garcia Diosa, A. Gonzalez Orive, C. Weinberger, S. Schwiderek, S. Knust,
M. Tiemann, G. Grundmeier, A. Keller, R.J. Camargo Amado, Journal of Biomedical
Materials Research Part B: Applied Biomaterials 109 (2021) 2142–2153.'
date_created: 2021-07-08T11:34:21Z
date_updated: 2023-03-08T08:10:25Z
department:
- _id: '302'
- _id: '307'
- _id: '35'
- _id: '2'
doi: 10.1002/jbm.b.34862
intvolume: ' 109'
language:
- iso: eng
page: 2142–2153
publication: 'Journal of Biomedical Materials Research Part B: Applied Biomaterials'
publication_identifier:
issn:
- 1552-4973
- 1552-4981
publication_status: published
quality_controlled: '1'
status: public
title: TiO2 nanoparticle coatings on glass surfaces for the selective trapping of
leukemia cells from peripheral blood
type: journal_article
user_id: '23547'
volume: 109
year: '2021'
...
---
_id: '25892'
abstract:
- lang: eng
text: The tetratopic linker 1,1,2,2-tetrakis(4-phosphonophenyl)ethylene (H8TPPE)
was used to synthesize the three new porous metal–organic frameworks of composition
[M2(H2O)2(H2TPPE)]·xH2O (M = Al3+, Ga3+, Fe3+), denoted as M-CAU-53 under hydrothermal
reaction conditions, using the corresponding metal nitrates as starting materials.
The crystal structures of the compounds were determined ab initio from powder
X-ray diffraction data, revealing small structural differences. Proton conductivity
measurements were carried out, indicating different conductivity mechanisms. The
differences in proton conductivity could be linked to the individual structures.
In addition, a thorough characterization via thermogravimetry, elemental analysis,
IR-spectroscopy as well as N2- and H2O-sorption is given.
article_type: original
author:
- first_name: Felix
full_name: Steinke, Felix
last_name: Steinke
- first_name: Ali
full_name: Javed, Ali
last_name: Javed
- first_name: Stephan
full_name: Wöhlbrandt, Stephan
last_name: Wöhlbrandt
- first_name: Michael
full_name: Tiemann, Michael
id: '23547'
last_name: Tiemann
orcid: 0000-0003-1711-2722
- first_name: Norbert
full_name: Stock, Norbert
last_name: Stock
citation:
ama: Steinke F, Javed A, Wöhlbrandt S, Tiemann M, Stock N. New isoreticular phosphonate
MOFs based on a tetratopic linker. Dalton Transactions. Published online
2021:13572-13579. doi:10.1039/d1dt02610k
apa: Steinke, F., Javed, A., Wöhlbrandt, S., Tiemann, M., & Stock, N. (2021).
New isoreticular phosphonate MOFs based on a tetratopic linker. Dalton Transactions,
13572–13579. https://doi.org/10.1039/d1dt02610k
bibtex: '@article{Steinke_Javed_Wöhlbrandt_Tiemann_Stock_2021, title={New isoreticular
phosphonate MOFs based on a tetratopic linker}, DOI={10.1039/d1dt02610k},
journal={Dalton Transactions}, author={Steinke, Felix and Javed, Ali and Wöhlbrandt,
Stephan and Tiemann, Michael and Stock, Norbert}, year={2021}, pages={13572–13579}
}'
chicago: Steinke, Felix, Ali Javed, Stephan Wöhlbrandt, Michael Tiemann, and Norbert
Stock. “New Isoreticular Phosphonate MOFs Based on a Tetratopic Linker.” Dalton
Transactions, 2021, 13572–79. https://doi.org/10.1039/d1dt02610k.
ieee: 'F. Steinke, A. Javed, S. Wöhlbrandt, M. Tiemann, and N. Stock, “New isoreticular
phosphonate MOFs based on a tetratopic linker,” Dalton Transactions, pp.
13572–13579, 2021, doi: 10.1039/d1dt02610k.'
mla: Steinke, Felix, et al. “New Isoreticular Phosphonate MOFs Based on a Tetratopic
Linker.” Dalton Transactions, 2021, pp. 13572–79, doi:10.1039/d1dt02610k.
short: F. Steinke, A. Javed, S. Wöhlbrandt, M. Tiemann, N. Stock, Dalton Transactions
(2021) 13572–13579.
date_created: 2021-10-08T09:57:34Z
date_updated: 2023-03-08T08:08:22Z
department:
- _id: '2'
- _id: '307'
doi: 10.1039/d1dt02610k
language:
- iso: eng
page: 13572-13579
publication: Dalton Transactions
publication_identifier:
issn:
- 1477-9226
- 1477-9234
publication_status: published
quality_controlled: '1'
status: public
title: New isoreticular phosphonate MOFs based on a tetratopic linker
type: journal_article
user_id: '23547'
year: '2021'
...
---
_id: '39653'
abstract:
- lang: eng
text: AbstractA detailed investigation of the energy
levels of perylene-3,4,9,10-tetracarboxylic tetraethylester as a representative
compound for the whole family of perylene esters was performed. It was revealed
via electrochemical measurements that one oxidation and two reductions take place.
The bandgaps determined via the electrochemical approach are in good agreement
with the optical bandgap obtained from the absorption spectra via a Tauc plot.
In addition, absorption spectra in dependence of the electrochemical potential
were the basis for extensive quantum-chemical calculations of the neutral, monoanionic,
and dianionic molecules. For this purpose, calculations based on density functional
theory were compared with post-Hartree–Fock methods and the CAM-B3LYP functional
proved to be the most reliable choice for the calculation of absorption spectra.
Furthermore, spectral features found experimentally could be reproduced with vibronic
calculations and allowed to understand their origins. In particular, the two lowest
energy absorption bands of the anion are not caused by absorption of two distinct
electronic states, which might have been expected from vertical excitation calculations,
but both states exhibit a strong vibronic progression resulting in contributions
to both bands.
article_number: '16097'
author:
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Joachim
full_name: Vollbrecht, Joachim
last_name: Vollbrecht
- first_name: Adam
full_name: Neuba, Adam
last_name: Neuba
- first_name: Heinz-Siegfried
full_name: Kitzerow, Heinz-Siegfried
id: '254'
last_name: Kitzerow
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: Wiebeler C, Vollbrecht J, Neuba A, Kitzerow H-S, Schumacher S. Unraveling the
electrochemical and spectroscopic properties of neutral and negatively charged
perylene tetraethylesters. Scientific Reports. 2021;11(1). doi:10.1038/s41598-021-95551-0
apa: Wiebeler, C., Vollbrecht, J., Neuba, A., Kitzerow, H.-S., & Schumacher,
S. (2021). Unraveling the electrochemical and spectroscopic properties of neutral
and negatively charged perylene tetraethylesters. Scientific Reports, 11(1),
Article 16097. https://doi.org/10.1038/s41598-021-95551-0
bibtex: '@article{Wiebeler_Vollbrecht_Neuba_Kitzerow_Schumacher_2021, title={Unraveling
the electrochemical and spectroscopic properties of neutral and negatively charged
perylene tetraethylesters}, volume={11}, DOI={10.1038/s41598-021-95551-0},
number={116097}, journal={Scientific Reports}, publisher={Springer Science and
Business Media LLC}, author={Wiebeler, Christian and Vollbrecht, Joachim and Neuba,
Adam and Kitzerow, Heinz-Siegfried and Schumacher, Stefan}, year={2021} }'
chicago: Wiebeler, Christian, Joachim Vollbrecht, Adam Neuba, Heinz-Siegfried Kitzerow,
and Stefan Schumacher. “Unraveling the Electrochemical and Spectroscopic Properties
of Neutral and Negatively Charged Perylene Tetraethylesters.” Scientific Reports
11, no. 1 (2021). https://doi.org/10.1038/s41598-021-95551-0.
ieee: 'C. Wiebeler, J. Vollbrecht, A. Neuba, H.-S. Kitzerow, and S. Schumacher,
“Unraveling the electrochemical and spectroscopic properties of neutral and negatively
charged perylene tetraethylesters,” Scientific Reports, vol. 11, no. 1,
Art. no. 16097, 2021, doi: 10.1038/s41598-021-95551-0.'
mla: Wiebeler, Christian, et al. “Unraveling the Electrochemical and Spectroscopic
Properties of Neutral and Negatively Charged Perylene Tetraethylesters.” Scientific
Reports, vol. 11, no. 1, 16097, Springer Science and Business Media LLC, 2021,
doi:10.1038/s41598-021-95551-0.
short: C. Wiebeler, J. Vollbrecht, A. Neuba, H.-S. Kitzerow, S. Schumacher, Scientific
Reports 11 (2021).
date_created: 2023-01-24T17:26:16Z
date_updated: 2023-04-20T15:34:34Z
department:
- _id: '313'
- _id: '230'
- _id: '638'
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
doi: 10.1038/s41598-021-95551-0
intvolume: ' 11'
issue: '1'
keyword:
- Multidisciplinary
language:
- iso: eng
publication: Scientific Reports
publication_identifier:
issn:
- 2045-2322
publication_status: published
publisher: Springer Science and Business Media LLC
status: public
title: Unraveling the electrochemical and spectroscopic properties of neutral and
negatively charged perylene tetraethylesters
type: journal_article
user_id: '16199'
volume: 11
year: '2021'
...
---
_id: '45001'
author:
- first_name: E.
full_name: Roos, E.
last_name: Roos
- first_name: Martin
full_name: Brehm, Martin
id: '100167'
last_name: Brehm
citation:
ama: 'Roos E, Brehm M. A Force Field for Bio-Polymers in Ionic Liquids (BILFF) –
Part 1: [EMIm][OAc] / Water Mixtures. Phys Chem Chem Phys. 2021;23:1242-1253.
doi:10.1039/D0CP04537C'
apa: 'Roos, E., & Brehm, M. (2021). A Force Field for Bio-Polymers in Ionic
Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures. Phys. Chem. Chem. Phys.,
23, 1242–1253. https://doi.org/10.1039/D0CP04537C'
bibtex: '@article{Roos_Brehm_2021, title={A Force Field for Bio-Polymers in Ionic
Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures}, volume={23}, DOI={10.1039/D0CP04537C}, journal={Phys.
Chem. Chem. Phys.}, author={Roos, E. and Brehm, Martin}, year={2021}, pages={1242–1253}
}'
chicago: 'Roos, E., and Martin Brehm. “A Force Field for Bio-Polymers in Ionic Liquids
(BILFF) – Part 1: [EMIm][OAc] / Water Mixtures.” Phys. Chem. Chem. Phys.
23 (2021): 1242–53. https://doi.org/10.1039/D0CP04537C.'
ieee: 'E. Roos and M. Brehm, “A Force Field for Bio-Polymers in Ionic Liquids (BILFF)
– Part 1: [EMIm][OAc] / Water Mixtures,” Phys. Chem. Chem. Phys., vol.
23, pp. 1242–1253, 2021, doi: 10.1039/D0CP04537C.'
mla: 'Roos, E., and Martin Brehm. “A Force Field for Bio-Polymers in Ionic Liquids
(BILFF) – Part 1: [EMIm][OAc] / Water Mixtures.” Phys. Chem. Chem. Phys.,
vol. 23, 2021, pp. 1242–53, doi:10.1039/D0CP04537C.'
short: E. Roos, M. Brehm, Phys. Chem. Chem. Phys. 23 (2021) 1242–1253.
date_created: 2023-05-16T20:22:04Z
date_updated: 2023-05-16T20:46:48Z
department:
- _id: '803'
doi: 10.1039/D0CP04537C
extern: '1'
intvolume: ' 23'
language:
- iso: eng
page: 1242-1253
publication: Phys. Chem. Chem. Phys.
status: public
title: 'A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc]
/ Water Mixtures'
type: journal_article
user_id: '100167'
volume: 23
year: '2021'
...
---
_id: '45004'
author:
- first_name: Martin
full_name: Brehm, Martin
id: '100167'
last_name: Brehm
- first_name: M.
full_name: Thomas, M.
last_name: Thomas
citation:
ama: Brehm M, Thomas M. Optimized Atomic Partial Charges and Radii Defined by Radical
Voronoi Tessellation of Bulk Phase Simulations. Molecules. 2021;26 (7):1875.
doi:10.3390/molecules26071875
apa: Brehm, M., & Thomas, M. (2021). Optimized Atomic Partial Charges and Radii
Defined by Radical Voronoi Tessellation of Bulk Phase Simulations. Molecules,
26 (7), 1875. https://doi.org/10.3390/molecules26071875
bibtex: '@article{Brehm_Thomas_2021, title={Optimized Atomic Partial Charges and
Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations}, volume={26
(7)}, DOI={10.3390/molecules26071875},
journal={Molecules}, author={Brehm, Martin and Thomas, M.}, year={2021}, pages={1875}
}'
chicago: 'Brehm, Martin, and M. Thomas. “Optimized Atomic Partial Charges and Radii
Defined by Radical Voronoi Tessellation of Bulk Phase Simulations.” Molecules
26 (7) (2021): 1875. https://doi.org/10.3390/molecules26071875.'
ieee: 'M. Brehm and M. Thomas, “Optimized Atomic Partial Charges and Radii Defined
by Radical Voronoi Tessellation of Bulk Phase Simulations,” Molecules,
vol. 26 (7), p. 1875, 2021, doi: 10.3390/molecules26071875.'
mla: Brehm, Martin, and M. Thomas. “Optimized Atomic Partial Charges and Radii Defined
by Radical Voronoi Tessellation of Bulk Phase Simulations.” Molecules,
vol. 26 (7), 2021, p. 1875, doi:10.3390/molecules26071875.
short: M. Brehm, M. Thomas, Molecules 26 (7) (2021) 1875.
date_created: 2023-05-16T20:22:04Z
date_updated: 2023-05-16T20:46:37Z
department:
- _id: '803'
doi: 10.3390/molecules26071875
extern: '1'
language:
- iso: eng
page: '1875'
publication: Molecules
status: public
title: Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation
of Bulk Phase Simulations
type: journal_article
user_id: '100167'
volume: 26 (7)
year: '2021'
...
---
_id: '45005'
author:
- first_name: S.
full_name: Roy, S.
last_name: Roy
- first_name: Martin
full_name: Brehm, Martin
id: '100167'
last_name: Brehm
- first_name: S.
full_name: Sharma, S.
last_name: Sharma
- first_name: F.
full_name: Wu, F.
last_name: Wu
- first_name: D.
full_name: Maltsev, D.
last_name: Maltsev
- first_name: P.
full_name: Halstenberg, P.
last_name: Halstenberg
- first_name: L.
full_name: Gallington, L.
last_name: Gallington
- first_name: S.
full_name: Mahurin, S.
last_name: Mahurin
- first_name: S.
full_name: Dai, S.
last_name: Dai
- first_name: A.
full_name: Ivanov, A.
last_name: Ivanov
- first_name: C.
full_name: Margulis, C.
last_name: Margulis
- first_name: V.
full_name: Bryantsev, V.
last_name: Bryantsev
citation:
ama: Roy S, Brehm M, Sharma S, et al. Unraveling Local Structure of Molten Salts
via X-Ray Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics. J
Phys Chem B. 2021;125 (22):5971-5982. doi:10.1021/acs.jpcb.1c03786
apa: Roy, S., Brehm, M., Sharma, S., Wu, F., Maltsev, D., Halstenberg, P., Gallington,
L., Mahurin, S., Dai, S., Ivanov, A., Margulis, C., & Bryantsev, V. (2021).
Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy,
and ab initio Molecular Dynamics. J. Phys. Chem. B, 125 (22), 5971–5982.
https://doi.org/10.1021/acs.jpcb.1c03786
bibtex: '@article{Roy_Brehm_Sharma_Wu_Maltsev_Halstenberg_Gallington_Mahurin_Dai_Ivanov_et
al._2021, title={Unraveling Local Structure of Molten Salts via X-Ray Scattering,
Raman Spectroscopy, and ab initio Molecular Dynamics}, volume={125 (22)}, DOI={10.1021/acs.jpcb.1c03786},
journal={J. Phys. Chem. B}, author={Roy, S. and Brehm, Martin and Sharma, S. and
Wu, F. and Maltsev, D. and Halstenberg, P. and Gallington, L. and Mahurin, S.
and Dai, S. and Ivanov, A. and et al.}, year={2021}, pages={5971–5982} }'
chicago: 'Roy, S., Martin Brehm, S. Sharma, F. Wu, D. Maltsev, P. Halstenberg, L.
Gallington, et al. “Unraveling Local Structure of Molten Salts via X-Ray Scattering,
Raman Spectroscopy, and Ab Initio Molecular Dynamics.” J. Phys. Chem. B
125 (22) (2021): 5971–82. https://doi.org/10.1021/acs.jpcb.1c03786.'
ieee: 'S. Roy et al., “Unraveling Local Structure of Molten Salts via X-Ray
Scattering, Raman Spectroscopy, and ab initio Molecular Dynamics,” J. Phys.
Chem. B, vol. 125 (22), pp. 5971–5982, 2021, doi: 10.1021/acs.jpcb.1c03786.'
mla: Roy, S., et al. “Unraveling Local Structure of Molten Salts via X-Ray Scattering,
Raman Spectroscopy, and Ab Initio Molecular Dynamics.” J. Phys. Chem. B,
vol. 125 (22), 2021, pp. 5971–82, doi:10.1021/acs.jpcb.1c03786.
short: S. Roy, M. Brehm, S. Sharma, F. Wu, D. Maltsev, P. Halstenberg, L. Gallington,
S. Mahurin, S. Dai, A. Ivanov, C. Margulis, V. Bryantsev, J. Phys. Chem. B 125
(22) (2021) 5971–5982.
date_created: 2023-05-16T20:22:05Z
date_updated: 2023-05-16T20:47:57Z
department:
- _id: '803'
doi: 10.1021/acs.jpcb.1c03786
extern: '1'
language:
- iso: eng
page: 5971-5982
publication: J. Phys. Chem. B
status: public
title: Unraveling Local Structure of Molten Salts via X-Ray Scattering, Raman Spectroscopy,
and ab initio Molecular Dynamics
type: journal_article
user_id: '100167'
volume: 125 (22)
year: '2021'
...
---
_id: '45006'
author:
- first_name: A.
full_name: Triolo, A.
last_name: Triolo
- first_name: M. E. Di
full_name: Pietro, M. E. Di
last_name: Pietro
- first_name: A.
full_name: Mele, A.
last_name: Mele
- first_name: F. Lo
full_name: Celso, F. Lo
last_name: Celso
- first_name: Martin
full_name: Brehm, Martin
id: '100167'
last_name: Brehm
- first_name: V. Di
full_name: Lisio, V. Di
last_name: Lisio
- first_name: A.
full_name: Martinelli, A.
last_name: Martinelli
- first_name: P.
full_name: Chater, P.
last_name: Chater
- first_name: O.
full_name: Russina, O.
last_name: Russina
citation:
ama: Triolo A, Pietro MED, Mele A, et al. Liquid Structure and Dynamics in the Choline
Acetate:Urea 1:2 Deep Eutectic Solvent. J Chem Phys. 2021;154:244501. doi:10.1063/5.0054048
apa: Triolo, A., Pietro, M. E. D., Mele, A., Celso, F. L., Brehm, M., Lisio, V.
D., Martinelli, A., Chater, P., & Russina, O. (2021). Liquid Structure and
Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent. J. Chem. Phys.,
154, 244501. https://doi.org/10.1063/5.0054048
bibtex: '@article{Triolo_Pietro_Mele_Celso_Brehm_Lisio_Martinelli_Chater_Russina_2021,
title={Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic
Solvent}, volume={154}, DOI={10.1063/5.0054048},
journal={J. Chem. Phys.}, author={Triolo, A. and Pietro, M. E. Di and Mele, A.
and Celso, F. Lo and Brehm, Martin and Lisio, V. Di and Martinelli, A. and Chater,
P. and Russina, O.}, year={2021}, pages={244501} }'
chicago: 'Triolo, A., M. E. Di Pietro, A. Mele, F. Lo Celso, Martin Brehm, V. Di
Lisio, A. Martinelli, P. Chater, and O. Russina. “Liquid Structure and Dynamics
in the Choline Acetate:Urea 1:2 Deep Eutectic Solvent.” J. Chem. Phys.
154 (2021): 244501. https://doi.org/10.1063/5.0054048.'
ieee: 'A. Triolo et al., “Liquid Structure and Dynamics in the Choline Acetate:Urea
1:2 Deep Eutectic Solvent,” J. Chem. Phys., vol. 154, p. 244501, 2021,
doi: 10.1063/5.0054048.'
mla: Triolo, A., et al. “Liquid Structure and Dynamics in the Choline Acetate:Urea
1:2 Deep Eutectic Solvent.” J. Chem. Phys., vol. 154, 2021, p. 244501,
doi:10.1063/5.0054048.
short: A. Triolo, M.E.D. Pietro, A. Mele, F.L. Celso, M. Brehm, V.D. Lisio, A. Martinelli,
P. Chater, O. Russina, J. Chem. Phys. 154 (2021) 244501.
date_created: 2023-05-16T20:22:05Z
date_updated: 2023-05-16T20:47:42Z
department:
- _id: '803'
doi: 10.1063/5.0054048
extern: '1'
intvolume: ' 154'
language:
- iso: eng
page: '244501'
publication: J. Chem. Phys.
status: public
title: Liquid Structure and Dynamics in the Choline Acetate:Urea 1:2 Deep Eutectic
Solvent
type: journal_article
user_id: '100167'
volume: 154
year: '2021'
...
---
_id: '45003'
author:
- first_name: M.-A.
full_name: Codescu, M.-A.
last_name: Codescu
- first_name: M.
full_name: Weiß, M.
last_name: Weiß
- first_name: Martin
full_name: Brehm, Martin
id: '100167'
last_name: Brehm
- first_name: O.
full_name: Kornilov, O.
last_name: Kornilov
- first_name: D.
full_name: Sebastiani, D.
last_name: Sebastiani
- first_name: E. T. J.
full_name: Nibbering, E. T. J.
last_name: Nibbering
citation:
ama: Codescu M-A, Weiß M, Brehm M, Kornilov O, Sebastiani D, Nibbering ETJ. Switching
Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between
7-Hydroxyquinoline and Formate. J Phys Chem A. 2021;125 (9):1845-1859.
doi:10.1021/acs.jpca.0c10191
apa: Codescu, M.-A., Weiß, M., Brehm, M., Kornilov, O., Sebastiani, D., & Nibbering,
E. T. J. (2021). Switching Between Proton Vacancy and Excess Proton Transfer Pathways
in the Reaction Between 7-Hydroxyquinoline and Formate. J. Phys. Chem. A,
125 (9), 1845–1859. https://doi.org/10.1021/acs.jpca.0c10191
bibtex: '@article{Codescu_Weiß_Brehm_Kornilov_Sebastiani_Nibbering_2021, title={Switching
Between Proton Vacancy and Excess Proton Transfer Pathways in the Reaction Between
7-Hydroxyquinoline and Formate}, volume={125 (9)}, DOI={10.1021/acs.jpca.0c10191},
journal={J. Phys. Chem. A}, author={Codescu, M.-A. and Weiß, M. and Brehm, Martin
and Kornilov, O. and Sebastiani, D. and Nibbering, E. T. J.}, year={2021}, pages={1845–1859}
}'
chicago: 'Codescu, M.-A., M. Weiß, Martin Brehm, O. Kornilov, D. Sebastiani, and
E. T. J. Nibbering. “Switching Between Proton Vacancy and Excess Proton Transfer
Pathways in the Reaction Between 7-Hydroxyquinoline and Formate.” J. Phys.
Chem. A 125 (9) (2021): 1845–59. https://doi.org/10.1021/acs.jpca.0c10191.'
ieee: 'M.-A. Codescu, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, and E. T. J.
Nibbering, “Switching Between Proton Vacancy and Excess Proton Transfer Pathways
in the Reaction Between 7-Hydroxyquinoline and Formate,” J. Phys. Chem. A,
vol. 125 (9), pp. 1845–1859, 2021, doi: 10.1021/acs.jpca.0c10191.'
mla: Codescu, M. A., et al. “Switching Between Proton Vacancy and Excess Proton
Transfer Pathways in the Reaction Between 7-Hydroxyquinoline and Formate.” J.
Phys. Chem. A, vol. 125 (9), 2021, pp. 1845–59, doi:10.1021/acs.jpca.0c10191.
short: M.-A. Codescu, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, E.T.J. Nibbering,
J. Phys. Chem. A 125 (9) (2021) 1845–1859.
date_created: 2023-05-16T20:22:04Z
date_updated: 2023-05-16T20:47:16Z
department:
- _id: '803'
doi: 10.1021/acs.jpca.0c10191
extern: '1'
language:
- iso: eng
page: 1845-1859
publication: J. Phys. Chem. A
status: public
title: Switching Between Proton Vacancy and Excess Proton Transfer Pathways in the
Reaction Between 7-Hydroxyquinoline and Formate
type: journal_article
user_id: '100167'
volume: 125 (9)
year: '2021'
...
---
_id: '45000'
author:
- first_name: M.
full_name: Mukherjee, M.
last_name: Mukherjee
- first_name: D.
full_name: Tripathi, D.
last_name: Tripathi
- first_name: Martin
full_name: Brehm, Martin
id: '100167'
last_name: Brehm
- first_name: C.
full_name: Riplinger, C.
last_name: Riplinger
- first_name: A. K.
full_name: Dutta, A. K.
last_name: Dutta
citation:
ama: 'Mukherjee M, Tripathi D, Brehm M, Riplinger C, Dutta AK. Efficient EOM-CC-Based
Protocol for the Calculation of Electron Affinity of Solvated Nucleobases: Uracil
as a Case Study. J Chem Theory Comput. 2021;17 (1):105-116. doi:10.1021/acs.jctc.0c00655'
apa: 'Mukherjee, M., Tripathi, D., Brehm, M., Riplinger, C., & Dutta, A. K.
(2021). Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity
of Solvated Nucleobases: Uracil as a Case Study. J. Chem. Theory Comput.,
17 (1), 105–116. https://doi.org/10.1021/acs.jctc.0c00655'
bibtex: '@article{Mukherjee_Tripathi_Brehm_Riplinger_Dutta_2021, title={Efficient
EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases:
Uracil as a Case Study}, volume={17 (1)}, DOI={10.1021/acs.jctc.0c00655},
journal={J. Chem. Theory Comput.}, author={Mukherjee, M. and Tripathi, D. and
Brehm, Martin and Riplinger, C. and Dutta, A. K.}, year={2021}, pages={105–116}
}'
chicago: 'Mukherjee, M., D. Tripathi, Martin Brehm, C. Riplinger, and A. K. Dutta.
“Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated
Nucleobases: Uracil as a Case Study.” J. Chem. Theory Comput. 17 (1) (2021):
105–16. https://doi.org/10.1021/acs.jctc.0c00655.'
ieee: 'M. Mukherjee, D. Tripathi, M. Brehm, C. Riplinger, and A. K. Dutta, “Efficient
EOM-CC-Based Protocol for the Calculation of Electron Affinity of Solvated Nucleobases:
Uracil as a Case Study,” J. Chem. Theory Comput., vol. 17 (1), pp. 105–116,
2021, doi: 10.1021/acs.jctc.0c00655.'
mla: 'Mukherjee, M., et al. “Efficient EOM-CC-Based Protocol for the Calculation
of Electron Affinity of Solvated Nucleobases: Uracil as a Case Study.” J. Chem.
Theory Comput., vol. 17 (1), 2021, pp. 105–16, doi:10.1021/acs.jctc.0c00655.'
short: M. Mukherjee, D. Tripathi, M. Brehm, C. Riplinger, A.K. Dutta, J. Chem. Theory
Comput. 17 (1) (2021) 105–116.
date_created: 2023-05-16T20:22:04Z
date_updated: 2023-05-16T20:47:30Z
department:
- _id: '803'
doi: 10.1021/acs.jctc.0c00655
extern: '1'
language:
- iso: eng
page: 105-116
publication: J. Chem. Theory Comput.
status: public
title: 'Efficient EOM-CC-Based Protocol for the Calculation of Electron Affinity of
Solvated Nucleobases: Uracil as a Case Study'
type: journal_article
user_id: '100167'
volume: 17 (1)
year: '2021'
...
---
_id: '45002'
author:
- first_name: A.
full_name: Triolo, A.
last_name: Triolo
- first_name: F. Lo
full_name: Celso, F. Lo
last_name: Celso
- first_name: Martin
full_name: Brehm, Martin
id: '100167'
last_name: Brehm
- first_name: V. Di
full_name: Lisio, V. Di
last_name: Lisio
- first_name: O.
full_name: Russina, O.
last_name: Russina
citation:
ama: 'Triolo A, Celso FL, Brehm M, Lisio VD, Russina O. Liquid Structure of a Choline
Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics Characterization.
J Mol Liq. 2021;331:115750. doi:10.1016/j.molliq.2021.115750'
apa: 'Triolo, A., Celso, F. L., Brehm, M., Lisio, V. D., & Russina, O. (2021).
Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A
Molecular Dynamics Characterization. J. Mol. Liq., 331, 115750.
https://doi.org/10.1016/j.molliq.2021.115750'
bibtex: '@article{Triolo_Celso_Brehm_Lisio_Russina_2021, title={Liquid Structure
of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics
Characterization}, volume={331}, DOI={10.1016/j.molliq.2021.115750},
journal={J. Mol. Liq.}, author={Triolo, A. and Celso, F. Lo and Brehm, Martin
and Lisio, V. Di and Russina, O.}, year={2021}, pages={115750} }'
chicago: 'Triolo, A., F. Lo Celso, Martin Brehm, V. Di Lisio, and O. Russina. “Liquid
Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular
Dynamics Characterization.” J. Mol. Liq. 331 (2021): 115750. https://doi.org/10.1016/j.molliq.2021.115750.'
ieee: 'A. Triolo, F. L. Celso, M. Brehm, V. D. Lisio, and O. Russina, “Liquid Structure
of a Choline Chloride-Water Natural Deep Eutectic Solvent: A Molecular Dynamics
Characterization,” J. Mol. Liq., vol. 331, p. 115750, 2021, doi: 10.1016/j.molliq.2021.115750.'
mla: 'Triolo, A., et al. “Liquid Structure of a Choline Chloride-Water Natural Deep
Eutectic Solvent: A Molecular Dynamics Characterization.” J. Mol. Liq.,
vol. 331, 2021, p. 115750, doi:10.1016/j.molliq.2021.115750.'
short: A. Triolo, F.L. Celso, M. Brehm, V.D. Lisio, O. Russina, J. Mol. Liq. 331
(2021) 115750.
date_created: 2023-05-16T20:22:04Z
date_updated: 2023-05-16T20:47:02Z
department:
- _id: '803'
doi: 10.1016/j.molliq.2021.115750
extern: '1'
intvolume: ' 331'
language:
- iso: eng
page: '115750'
publication: J. Mol. Liq.
status: public
title: 'Liquid Structure of a Choline Chloride-Water Natural Deep Eutectic Solvent:
A Molecular Dynamics Characterization'
type: journal_article
user_id: '100167'
volume: 331
year: '2021'
...
---
_id: '24566'
article_type: review
author:
- first_name: Katja
full_name: Engelkemeier, Katja
id: '21743'
last_name: Engelkemeier
- first_name: Aijia
full_name: Sun, Aijia
last_name: Sun
- first_name: Dietrich
full_name: Voswinkel, Dietrich
id: '52634'
last_name: Voswinkel
- first_name: Olexandr
full_name: Grydin, Olexandr
id: '43822'
last_name: Grydin
- first_name: Mirko
full_name: Schaper, Mirko
id: '43720'
last_name: Schaper
- first_name: Wolfgang
full_name: Bremser, Wolfgang
last_name: Bremser
citation:
ama: 'Engelkemeier K, Sun A, Voswinkel D, Grydin O, Schaper M, Bremser W. Zinc Anodizing:
Structural Diversity of Anodic Zinc Oxide Controlled by the Type of Electrolyte.
ChemElectroChem. Published online 2021:2155-2168. doi:10.1002/celc.202100216'
apa: 'Engelkemeier, K., Sun, A., Voswinkel, D., Grydin, O., Schaper, M., & Bremser,
W. (2021). Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled
by the Type of Electrolyte. ChemElectroChem, 2155–2168. https://doi.org/10.1002/celc.202100216'
bibtex: '@article{Engelkemeier_Sun_Voswinkel_Grydin_Schaper_Bremser_2021, title={Zinc
Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type of
Electrolyte}, DOI={10.1002/celc.202100216},
journal={ChemElectroChem}, publisher={Wiley}, author={Engelkemeier, Katja and
Sun, Aijia and Voswinkel, Dietrich and Grydin, Olexandr and Schaper, Mirko and
Bremser, Wolfgang}, year={2021}, pages={2155–2168} }'
chicago: 'Engelkemeier, Katja, Aijia Sun, Dietrich Voswinkel, Olexandr Grydin, Mirko
Schaper, and Wolfgang Bremser. “Zinc Anodizing: Structural Diversity of Anodic
Zinc Oxide Controlled by the Type of Electrolyte.” ChemElectroChem, 2021,
2155–68. https://doi.org/10.1002/celc.202100216.'
ieee: 'K. Engelkemeier, A. Sun, D. Voswinkel, O. Grydin, M. Schaper, and W. Bremser,
“Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the Type
of Electrolyte,” ChemElectroChem, pp. 2155–2168, 2021, doi: 10.1002/celc.202100216.'
mla: 'Engelkemeier, Katja, et al. “Zinc Anodizing: Structural Diversity of Anodic
Zinc Oxide Controlled by the Type of Electrolyte.” ChemElectroChem, Wiley,
2021, pp. 2155–68, doi:10.1002/celc.202100216.'
short: K. Engelkemeier, A. Sun, D. Voswinkel, O. Grydin, M. Schaper, W. Bremser,
ChemElectroChem (2021) 2155–2168.
date_created: 2021-09-16T15:56:58Z
date_updated: 2023-06-01T14:39:27Z
department:
- _id: '158'
- _id: '301'
doi: 10.1002/celc.202100216
language:
- iso: eng
main_file_link:
- open_access: '1'
url: https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/celc.202100216
oa: '1'
page: 2155-2168
publication: ChemElectroChem
publication_identifier:
issn:
- 2196-0216
- 2196-0216
publication_status: published
publisher: Wiley
quality_controlled: '1'
status: public
title: 'Zinc Anodizing: Structural Diversity of Anodic Zinc Oxide Controlled by the
Type of Electrolyte'
type: journal_article
user_id: '43720'
year: '2021'
...
---
_id: '33545'
author:
- first_name: Julia
full_name: Elsner, Julia
id: '54277'
last_name: Elsner
- first_name: Claudia
full_name: Tenberge, Claudia
id: '67302'
last_name: Tenberge
- first_name: Sabine
full_name: Fechner, Sabine
id: '54823'
last_name: Fechner
orcid: 0000-0001-5645-5870
citation:
ama: 'Elsner J, Tenberge C, Fechner S. Unterstützung des Modellierungsprozesses
durch Analogiebildung im Sachunterricht. In: Habig S, ed. Naturwissenschaftlicher
Unterricht und Lehrerbildung im Umbruch?. Vol 41. ; 2021:609-612.'
apa: Elsner, J., Tenberge, C., & Fechner, S. (2021). Unterstützung des Modellierungsprozesses
durch Analogiebildung im Sachunterricht. In S. Habig (Ed.), Naturwissenschaftlicher
Unterricht und Lehrerbildung im Umbruch? (Vol. 41, pp. 609–612).
bibtex: '@inproceedings{Elsner_Tenberge_Fechner_2021, title={Unterstützung des Modellierungsprozesses
durch Analogiebildung im Sachunterricht}, volume={41}, booktitle={Naturwissenschaftlicher
Unterricht und Lehrerbildung im Umbruch?}, author={Elsner, Julia and Tenberge,
Claudia and Fechner, Sabine}, editor={Habig, Sebastian}, year={2021}, pages={609–612}
}'
chicago: Elsner, Julia, Claudia Tenberge, and Sabine Fechner. “Unterstützung des
Modellierungsprozesses durch Analogiebildung im Sachunterricht.” In Naturwissenschaftlicher
Unterricht und Lehrerbildung im Umbruch?, edited by Sebastian Habig, 41:609–12,
2021.
ieee: J. Elsner, C. Tenberge, and S. Fechner, “Unterstützung des Modellierungsprozesses
durch Analogiebildung im Sachunterricht,” in Naturwissenschaftlicher Unterricht
und Lehrerbildung im Umbruch?, 2021, vol. 41, pp. 609–612.
mla: Elsner, Julia, et al. “Unterstützung des Modellierungsprozesses durch Analogiebildung
im Sachunterricht.” Naturwissenschaftlicher Unterricht und Lehrerbildung im
Umbruch?, edited by Sebastian Habig, vol. 41, 2021, pp. 609–12.
short: 'J. Elsner, C. Tenberge, S. Fechner, in: S. Habig (Ed.), Naturwissenschaftlicher
Unterricht und Lehrerbildung im Umbruch?, 2021, pp. 609–612.'
date_created: 2022-10-07T10:12:08Z
date_updated: 2023-08-14T18:16:48Z
ddc:
- '370'
department:
- _id: '386'
- _id: '588'
editor:
- first_name: Sebastian
full_name: Habig, Sebastian
last_name: Habig
has_accepted_license: '1'
intvolume: ' 41'
language:
- iso: ger
page: 609-612
publication: Naturwissenschaftlicher Unterricht und Lehrerbildung im Umbruch?
status: public
title: Unterstützung des Modellierungsprozesses durch Analogiebildung im Sachunterricht
type: conference
user_id: '54823'
volume: 41
year: '2021'
...
---
_id: '29936'
author:
- first_name: Arjun
full_name: Ramaswami, Arjun
id: '49171'
last_name: Ramaswami
orcid: https://orcid.org/0000-0002-0909-1178
- first_name: Tobias
full_name: Kenter, Tobias
id: '3145'
last_name: Kenter
- first_name: Thomas
full_name: Kühne, Thomas
id: '49079'
last_name: Kühne
- first_name: Christian
full_name: Plessl, Christian
id: '16153'
last_name: Plessl
orcid: 0000-0001-5728-9982
citation:
ama: 'Ramaswami A, Kenter T, Kühne T, Plessl C. Evaluating the Design Space for
Offloading 3D FFT Calculations to an FPGA for High-Performance Computing. In:
Applied Reconfigurable Computing. Architectures, Tools, and Applications.
Springer International Publishing; 2021. doi:10.1007/978-3-030-79025-7_21'
apa: Ramaswami, A., Kenter, T., Kühne, T., & Plessl, C. (2021). Evaluating the
Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance
Computing. In Applied Reconfigurable Computing. Architectures, Tools, and Applications.
Int. Conf. on Applied Reconfigurable Computing. Architectures, Tools, and Applications.
Springer International Publishing. https://doi.org/10.1007/978-3-030-79025-7_21
bibtex: '@inbook{Ramaswami_Kenter_Kühne_Plessl_2021, place={Cham}, title={Evaluating
the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance
Computing}, DOI={10.1007/978-3-030-79025-7_21},
booktitle={Applied Reconfigurable Computing. Architectures, Tools, and Applications},
publisher={Springer International Publishing}, author={Ramaswami, Arjun and Kenter,
Tobias and Kühne, Thomas and Plessl, Christian}, year={2021} }'
chicago: 'Ramaswami, Arjun, Tobias Kenter, Thomas Kühne, and Christian Plessl. “Evaluating
the Design Space for Offloading 3D FFT Calculations to an FPGA for High-Performance
Computing.” In Applied Reconfigurable Computing. Architectures, Tools, and
Applications. Cham: Springer International Publishing, 2021. https://doi.org/10.1007/978-3-030-79025-7_21.'
ieee: 'A. Ramaswami, T. Kenter, T. Kühne, and C. Plessl, “Evaluating the Design
Space for Offloading 3D FFT Calculations to an FPGA for High-Performance Computing,”
in Applied Reconfigurable Computing. Architectures, Tools, and Applications,
Cham: Springer International Publishing, 2021.'
mla: Ramaswami, Arjun, et al. “Evaluating the Design Space for Offloading 3D FFT
Calculations to an FPGA for High-Performance Computing.” Applied Reconfigurable
Computing. Architectures, Tools, and Applications, Springer International
Publishing, 2021, doi:10.1007/978-3-030-79025-7_21.
short: 'A. Ramaswami, T. Kenter, T. Kühne, C. Plessl, in: Applied Reconfigurable
Computing. Architectures, Tools, and Applications, Springer International Publishing,
Cham, 2021.'
conference:
name: Int. Conf. on Applied Reconfigurable Computing. Architectures, Tools, and
Applications
date_created: 2022-02-21T14:22:01Z
date_updated: 2023-09-26T11:40:45Z
department:
- _id: '27'
- _id: '518'
- _id: '304'
doi: 10.1007/978-3-030-79025-7_21
language:
- iso: eng
place: Cham
publication: Applied Reconfigurable Computing. Architectures, Tools, and Applications
publication_identifier:
isbn:
- '9783030790240'
- '9783030790257'
issn:
- 0302-9743
- 1611-3349
publication_status: published
publisher: Springer International Publishing
quality_controlled: '1'
status: public
title: Evaluating the Design Space for Offloading 3D FFT Calculations to an FPGA for
High-Performance Computing
type: book_chapter
user_id: '15278'
year: '2021'
...
---
_id: '41007'
abstract:
- lang: eng
text: Two closely related FeII complexes with 2,6-bis(1-ethyl-1H-1,2,3-triazol-4yl)pyridine
and 2,6-bis(1,2,3-triazol-5-ylidene)pyridine ligands are presented to gain new
insights into the photophysics of bis(tridentate) iron(II) complexes. The [Fe(N^N^N)2]2+
pseudoisomer sensitizes singlet oxygen through a MC state with nanosecond lifetime
after MLCT excitation, while the bis(tridentate) [Fe(C^N^C)2]2+ pseudoisomer possesses
a similar 3MLCT lifetime as the tris(bidentate) [Fe(C^C)2(N^N)]2+ complexes with
four mesoionic carbenes.
article_type: original
author:
- first_name: Philipp
full_name: Dierks, Philipp
last_name: Dierks
- first_name: Ayla
full_name: Kruse, Ayla
last_name: Kruse
- first_name: Olga S.
full_name: Bokareva, Olga S.
last_name: Bokareva
- first_name: Mohammed J.
full_name: Al-Marri, Mohammed J.
last_name: Al-Marri
- first_name: Jens
full_name: Kalmbach, Jens
last_name: Kalmbach
- first_name: Marc
full_name: Baltrun, Marc
last_name: Baltrun
- first_name: Adam
full_name: Neuba, Adam
last_name: Neuba
- first_name: Roland
full_name: Schoch, Roland
id: '48467'
last_name: Schoch
orcid: 0000-0003-2061-7289
- first_name: Stephan
full_name: Hohloch, Stephan
last_name: Hohloch
- first_name: Katja
full_name: Heinze, Katja
last_name: Heinze
- first_name: Michael
full_name: Seitz, Michael
last_name: Seitz
- first_name: Oliver
full_name: Kühn, Oliver
last_name: Kühn
- first_name: Stefan
full_name: Lochbrunner, Stefan
last_name: Lochbrunner
- first_name: Matthias
full_name: Bauer, Matthias
id: '47241'
last_name: Bauer
orcid: 0000-0002-9294-6076
citation:
ama: Dierks P, Kruse A, Bokareva OS, et al. Distinct photodynamics of κ-N and κ-C
pseudoisomeric iron(ii) complexes. Chemical Communications. 2021;57(54):6640-6643.
doi:10.1039/d1cc01716k
apa: Dierks, P., Kruse, A., Bokareva, O. S., Al-Marri, M. J., Kalmbach, J., Baltrun,
M., Neuba, A., Schoch, R., Hohloch, S., Heinze, K., Seitz, M., Kühn, O., Lochbrunner,
S., & Bauer, M. (2021). Distinct photodynamics of κ-N and κ-C pseudoisomeric
iron(ii) complexes. Chemical Communications, 57(54), 6640–6643.
https://doi.org/10.1039/d1cc01716k
bibtex: '@article{Dierks_Kruse_Bokareva_Al-Marri_Kalmbach_Baltrun_Neuba_Schoch_Hohloch_Heinze_et
al._2021, title={Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii)
complexes}, volume={57}, DOI={10.1039/d1cc01716k},
number={54}, journal={Chemical Communications}, publisher={Royal Society of Chemistry
(RSC)}, author={Dierks, Philipp and Kruse, Ayla and Bokareva, Olga S. and Al-Marri,
Mohammed J. and Kalmbach, Jens and Baltrun, Marc and Neuba, Adam and Schoch, Roland
and Hohloch, Stephan and Heinze, Katja and et al.}, year={2021}, pages={6640–6643}
}'
chicago: 'Dierks, Philipp, Ayla Kruse, Olga S. Bokareva, Mohammed J. Al-Marri, Jens
Kalmbach, Marc Baltrun, Adam Neuba, et al. “Distinct Photodynamics of κ-N and
κ-C Pseudoisomeric Iron(Ii) Complexes.” Chemical Communications 57, no.
54 (2021): 6640–43. https://doi.org/10.1039/d1cc01716k.'
ieee: 'P. Dierks et al., “Distinct photodynamics of κ-N and κ-C pseudoisomeric
iron(ii) complexes,” Chemical Communications, vol. 57, no. 54, pp. 6640–6643,
2021, doi: 10.1039/d1cc01716k.'
mla: Dierks, Philipp, et al. “Distinct Photodynamics of κ-N and κ-C Pseudoisomeric
Iron(Ii) Complexes.” Chemical Communications, vol. 57, no. 54, Royal Society
of Chemistry (RSC), 2021, pp. 6640–43, doi:10.1039/d1cc01716k.
short: P. Dierks, A. Kruse, O.S. Bokareva, M.J. Al-Marri, J. Kalmbach, M. Baltrun,
A. Neuba, R. Schoch, S. Hohloch, K. Heinze, M. Seitz, O. Kühn, S. Lochbrunner,
M. Bauer, Chemical Communications 57 (2021) 6640–6643.
date_created: 2023-01-30T16:59:55Z
date_updated: 2024-10-11T08:42:44Z
department:
- _id: '35'
- _id: '306'
doi: 10.1039/d1cc01716k
intvolume: ' 57'
issue: '54'
keyword:
- Materials Chemistry
- Metals and Alloys
- Surfaces
- Coatings and Films
- General Chemistry
- Ceramics and Composite
- Metallkomplexe
- Optical and Magnetic Materials
- Catalysis
language:
- iso: eng
page: 6640-6643
publication: Chemical Communications
publication_identifier:
issn:
- 1359-7345
- 1364-548X
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes
type: journal_article
user_id: '48467'
volume: 57
year: '2021'
...
---
_id: '59620'
article_type: original
author:
- first_name: Tarik
full_name: Rust, Tarik
last_name: Rust
- first_name: Dimitri
full_name: Jung, Dimitri
last_name: Jung
- first_name: Axel
full_name: Hoppe, Axel
id: '62844'
last_name: Hoppe
- first_name: Timo
full_name: Schoppa, Timo
last_name: Schoppa
- first_name: Klaus
full_name: Langer, Klaus
last_name: Langer
- first_name: Dirk
full_name: Kuckling, Dirk
id: '287'
last_name: Kuckling
citation:
ama: Rust T, Jung D, Hoppe A, Schoppa T, Langer K, Kuckling D. Backbone-Degradable
(Co-)Polymers for Light-Triggered Drug Delivery. ACS Applied Polymer Materials.
2021;3(8):3831-3842. doi:10.1021/acsapm.1c00411
apa: Rust, T., Jung, D., Hoppe, A., Schoppa, T., Langer, K., & Kuckling, D.
(2021). Backbone-Degradable (Co-)Polymers for Light-Triggered Drug Delivery. ACS
Applied Polymer Materials, 3(8), 3831–3842. https://doi.org/10.1021/acsapm.1c00411
bibtex: '@article{Rust_Jung_Hoppe_Schoppa_Langer_Kuckling_2021, title={Backbone-Degradable
(Co-)Polymers for Light-Triggered Drug Delivery}, volume={3}, DOI={10.1021/acsapm.1c00411},
number={8}, journal={ACS Applied Polymer Materials}, publisher={American Chemical
Society (ACS)}, author={Rust, Tarik and Jung, Dimitri and Hoppe, Axel and Schoppa,
Timo and Langer, Klaus and Kuckling, Dirk}, year={2021}, pages={3831–3842} }'
chicago: 'Rust, Tarik, Dimitri Jung, Axel Hoppe, Timo Schoppa, Klaus Langer, and
Dirk Kuckling. “Backbone-Degradable (Co-)Polymers for Light-Triggered Drug Delivery.”
ACS Applied Polymer Materials 3, no. 8 (2021): 3831–42. https://doi.org/10.1021/acsapm.1c00411.'
ieee: 'T. Rust, D. Jung, A. Hoppe, T. Schoppa, K. Langer, and D. Kuckling, “Backbone-Degradable
(Co-)Polymers for Light-Triggered Drug Delivery,” ACS Applied Polymer Materials,
vol. 3, no. 8, pp. 3831–3842, 2021, doi: 10.1021/acsapm.1c00411.'
mla: Rust, Tarik, et al. “Backbone-Degradable (Co-)Polymers for Light-Triggered
Drug Delivery.” ACS Applied Polymer Materials, vol. 3, no. 8, American
Chemical Society (ACS), 2021, pp. 3831–42, doi:10.1021/acsapm.1c00411.
short: T. Rust, D. Jung, A. Hoppe, T. Schoppa, K. Langer, D. Kuckling, ACS Applied
Polymer Materials 3 (2021) 3831–3842.
date_created: 2025-04-22T06:02:11Z
date_updated: 2025-04-22T06:12:02Z
department:
- _id: '311'
doi: 10.1021/acsapm.1c00411
intvolume: ' 3'
issue: '8'
keyword:
- backbone-degradable
- light-responsive
- redox-responsive
- drug delivery
- nanoparticles
language:
- iso: eng
main_file_link:
- url: https://pubs.acs.org/doi/10.1021/acsapm.1c00411?ref=PDF
page: 3831-3842
publication: ACS Applied Polymer Materials
publication_identifier:
issn:
- 2637-6105
- 2637-6105
publication_status: published
publisher: American Chemical Society (ACS)
quality_controlled: '1'
status: public
title: Backbone-Degradable (Co-)Polymers for Light-Triggered Drug Delivery
type: journal_article
user_id: '62844'
volume: 3
year: '2021'
...
---
_id: '22859'
article_type: original
author:
- first_name: Richard
full_name: Grothe, Richard
last_name: Grothe
- first_name: Jan Andre
full_name: Striewe, Jan Andre
id: '29413'
last_name: Striewe
- first_name: Dennis
full_name: Meinderink, Dennis
id: '32378'
last_name: Meinderink
orcid: 0000-0002-2755-6514
- first_name: Thomas
full_name: Tröster, Thomas
id: '553'
last_name: Tröster
- first_name: Guido
full_name: Grundmeier, Guido
id: '194'
last_name: Grundmeier
citation:
ama: Grothe R, Striewe JA, Meinderink D, Tröster T, Grundmeier G. Enhanced corrosion
resistance of adhesive/galvanised steel interfaces by nanocrystalline ZnO thin
film deposition and molecular adhesion promoting films. The Journal of Adhesion.
Published online 2021. doi:10.1080/00218464.2021.1957676
apa: Grothe, R., Striewe, J. A., Meinderink, D., Tröster, T., & Grundmeier,
G. (2021). Enhanced corrosion resistance of adhesive/galvanised steel interfaces
by nanocrystalline ZnO thin film deposition and molecular adhesion promoting films.
The Journal of Adhesion. https://doi.org/10.1080/00218464.2021.1957676
bibtex: '@article{Grothe_Striewe_Meinderink_Tröster_Grundmeier_2021, title={Enhanced
corrosion resistance of adhesive/galvanised steel interfaces by nanocrystalline
ZnO thin film deposition and molecular adhesion promoting films}, DOI={10.1080/00218464.2021.1957676},
journal={The Journal of Adhesion}, publisher={Taylor & Francis }, author={Grothe,
Richard and Striewe, Jan Andre and Meinderink, Dennis and Tröster, Thomas and
Grundmeier, Guido}, year={2021} }'
chicago: Grothe, Richard, Jan Andre Striewe, Dennis Meinderink, Thomas Tröster,
and Guido Grundmeier. “Enhanced Corrosion Resistance of Adhesive/Galvanised Steel
Interfaces by Nanocrystalline ZnO Thin Film Deposition and Molecular Adhesion
Promoting Films.” The Journal of Adhesion, 2021. https://doi.org/10.1080/00218464.2021.1957676.
ieee: 'R. Grothe, J. A. Striewe, D. Meinderink, T. Tröster, and G. Grundmeier, “Enhanced
corrosion resistance of adhesive/galvanised steel interfaces by nanocrystalline
ZnO thin film deposition and molecular adhesion promoting films,” The Journal
of Adhesion, 2021, doi: 10.1080/00218464.2021.1957676.'
mla: Grothe, Richard, et al. “Enhanced Corrosion Resistance of Adhesive/Galvanised
Steel Interfaces by Nanocrystalline ZnO Thin Film Deposition and Molecular Adhesion
Promoting Films.” The Journal of Adhesion, Taylor & Francis , 2021,
doi:10.1080/00218464.2021.1957676.
short: R. Grothe, J.A. Striewe, D. Meinderink, T. Tröster, G. Grundmeier, The Journal
of Adhesion (2021).
date_created: 2021-07-27T14:37:40Z
date_updated: 2025-06-06T08:15:45Z
department:
- _id: '302'
- _id: '149'
- _id: '321'
- _id: '9'
doi: 10.1080/00218464.2021.1957676
language:
- iso: eng
publication: The Journal of Adhesion
publisher: 'Taylor & Francis '
quality_controlled: '1'
status: public
title: Enhanced corrosion resistance of adhesive/galvanised steel interfaces by nanocrystalline
ZnO thin film deposition and molecular adhesion promoting films
type: journal_article
user_id: '15952'
year: '2021'
...
---
_id: '37947'
author:
- first_name: Jan
full_name: Paradies, Jan
id: '53339'
last_name: Paradies
orcid: 0000-0002-3698-668X
- first_name: Jennifer
full_name: Andexer, Jennifer
last_name: Andexer
- first_name: Uwe
full_name: Beifuss, Uwe
last_name: Beifuss
- first_name: Florian
full_name: Beuerle, Florian
last_name: Beuerle
- first_name: Malte
full_name: Brasholz, Malte
last_name: Brasholz
- first_name: Rolf
full_name: Breinbauer, Rolf
last_name: Breinbauer
- first_name: Martin
full_name: Ernst, Martin
last_name: Ernst
- first_name: Ruth
full_name: Ganardi, Ruth
last_name: Ganardi
- first_name: Tobias A. M.
full_name: Gulder, Tobias A. M.
last_name: Gulder
- first_name: Wolfgang
full_name: Hüttel, Wolfgang
last_name: Hüttel
- first_name: Stephanie
full_name: Kath‐Schorr, Stephanie
last_name: Kath‐Schorr
- first_name: Karsten
full_name: Körber, Karsten
last_name: Körber
- first_name: Markus
full_name: Kordes, Markus
last_name: Kordes
- first_name: Matthias
full_name: Lehmann, Matthias
last_name: Lehmann
- first_name: Thomas
full_name: Lindel, Thomas
last_name: Lindel
- first_name: Burkhard
full_name: Luy, Burkhard
last_name: Luy
- first_name: Christian
full_name: Mück‐Lichtenfeld, Christian
last_name: Mück‐Lichtenfeld
- first_name: Claudia
full_name: Muhle‐Goll, Claudia
last_name: Muhle‐Goll
- first_name: Jochen
full_name: Niemeyer, Jochen
last_name: Niemeyer
- first_name: Roland
full_name: Pfau, Roland
last_name: Pfau
- first_name: Jörg
full_name: Pietruszka, Jörg
last_name: Pietruszka
- first_name: Johannes L.
full_name: Röckl, Johannes L.
last_name: Röckl
- first_name: Norbert
full_name: Schaschke, Norbert
last_name: Schaschke
- first_name: Mathias O.
full_name: Senge, Mathias O.
last_name: Senge
- first_name: Bernd F.
full_name: Straub, Bernd F.
last_name: Straub
- first_name: Siegfried R.
full_name: Waldvogel, Siegfried R.
last_name: Waldvogel
- first_name: Thomas
full_name: Werner, Thomas
id: '89271'
last_name: Werner
orcid: 0000-0001-9025-3244
- first_name: Daniel B.
full_name: Werz, Daniel B.
last_name: Werz
- first_name: Christian
full_name: Winter, Christian
last_name: Winter
citation:
ama: Paradies J, Andexer J, Beifuss U, et al. Organische Chemie. Nachrichten
aus der Chemie. 2021;69(3):38-68. doi:10.1002/nadc.20214105947
apa: Paradies, J., Andexer, J., Beifuss, U., Beuerle, F., Brasholz, M., Breinbauer,
R., Ernst, M., Ganardi, R., Gulder, T. A. M., Hüttel, W., Kath‐Schorr, S., Körber,
K., Kordes, M., Lehmann, M., Lindel, T., Luy, B., Mück‐Lichtenfeld, C., Muhle‐Goll,
C., Niemeyer, J., … Winter, C. (2021). Organische Chemie. Nachrichten Aus Der
Chemie, 69(3), 38–68. https://doi.org/10.1002/nadc.20214105947
bibtex: '@article{Paradies_Andexer_Beifuss_Beuerle_Brasholz_Breinbauer_Ernst_Ganardi_Gulder_Hüttel_et
al._2021, title={Organische Chemie}, volume={69}, DOI={10.1002/nadc.20214105947},
number={3}, journal={Nachrichten aus der Chemie}, publisher={Wiley}, author={Paradies,
Jan and Andexer, Jennifer and Beifuss, Uwe and Beuerle, Florian and Brasholz,
Malte and Breinbauer, Rolf and Ernst, Martin and Ganardi, Ruth and Gulder, Tobias
A. M. and Hüttel, Wolfgang and et al.}, year={2021}, pages={38–68} }'
chicago: 'Paradies, Jan, Jennifer Andexer, Uwe Beifuss, Florian Beuerle, Malte Brasholz,
Rolf Breinbauer, Martin Ernst, et al. “Organische Chemie.” Nachrichten Aus
Der Chemie 69, no. 3 (2021): 38–68. https://doi.org/10.1002/nadc.20214105947.'
ieee: 'J. Paradies et al., “Organische Chemie,” Nachrichten aus der Chemie,
vol. 69, no. 3, pp. 38–68, 2021, doi: 10.1002/nadc.20214105947.'
mla: Paradies, Jan, et al. “Organische Chemie.” Nachrichten Aus Der Chemie,
vol. 69, no. 3, Wiley, 2021, pp. 38–68, doi:10.1002/nadc.20214105947.
short: J. Paradies, J. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer,
M. Ernst, R. Ganardi, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M.
Kordes, M. Lehmann, T. Lindel, B. Luy, C. Mück‐Lichtenfeld, C. Muhle‐Goll, J.
Niemeyer, R. Pfau, J. Pietruszka, J.L. Röckl, N. Schaschke, M.O. Senge, B.F. Straub,
S.R. Waldvogel, T. Werner, D.B. Werz, C. Winter, Nachrichten Aus Der Chemie 69
(2021) 38–68.
date_created: 2023-01-22T20:28:35Z
date_updated: 2025-11-10T08:02:44Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1002/nadc.20214105947
intvolume: ' 69'
issue: '3'
keyword:
- General Chemical Engineering
- General Chemistry
language:
- iso: eng
page: 38-68
publication: Nachrichten aus der Chemie
publication_identifier:
issn:
- 1439-9598
- 1868-0054
publication_status: published
publisher: Wiley
status: public
title: Organische Chemie
type: journal_article
user_id: '89271'
volume: 69
year: '2021'
...
---
_id: '37950'
author:
- first_name: Yuya
full_name: Hu, Yuya
last_name: Hu
- first_name: Zhihong
full_name: Wei, Zhihong
last_name: Wei
- first_name: Anna
full_name: Frey, Anna
last_name: Frey
- first_name: Christoph
full_name: Kubis, Christoph
last_name: Kubis
- first_name: Chang‐Yue
full_name: Ren, Chang‐Yue
last_name: Ren
- first_name: Anke
full_name: Spannenberg, Anke
last_name: Spannenberg
- first_name: Haijun
full_name: Jiao, Haijun
last_name: Jiao
- first_name: Thomas
full_name: Werner, Thomas
id: '89271'
last_name: Werner
orcid: 0000-0001-9025-3244
citation:
ama: Hu Y, Wei Z, Frey A, et al. Catalytic, Kinetic, and Mechanistic Insights into
the Fixation of CO2 with Epoxides Catalyzed by Phenol‐Functionalized
Phosphonium Salts. ChemSusChem. 2021;14(1):363-372. doi:10.1002/cssc.202002267
apa: Hu, Y., Wei, Z., Frey, A., Kubis, C., Ren, C., Spannenberg, A., Jiao, H., &
Werner, T. (2021). Catalytic, Kinetic, and Mechanistic Insights into the Fixation
of CO2 with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium
Salts. ChemSusChem, 14(1), 363–372. https://doi.org/10.1002/cssc.202002267
bibtex: '@article{Hu_Wei_Frey_Kubis_Ren_Spannenberg_Jiao_Werner_2021, title={Catalytic,
Kinetic, and Mechanistic Insights into the Fixation of CO2 with Epoxides
Catalyzed by Phenol‐Functionalized Phosphonium Salts}, volume={14}, DOI={10.1002/cssc.202002267},
number={1}, journal={ChemSusChem}, publisher={Wiley}, author={Hu, Yuya and Wei,
Zhihong and Frey, Anna and Kubis, Christoph and Ren, Chang‐Yue and Spannenberg,
Anke and Jiao, Haijun and Werner, Thomas}, year={2021}, pages={363–372} }'
chicago: 'Hu, Yuya, Zhihong Wei, Anna Frey, Christoph Kubis, Chang‐Yue Ren, Anke
Spannenberg, Haijun Jiao, and Thomas Werner. “Catalytic, Kinetic, and Mechanistic
Insights into the Fixation of CO2 with Epoxides Catalyzed by Phenol‐Functionalized
Phosphonium Salts.” ChemSusChem 14, no. 1 (2021): 363–72. https://doi.org/10.1002/cssc.202002267.'
ieee: 'Y. Hu et al., “Catalytic, Kinetic, and Mechanistic Insights into the
Fixation of CO2 with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium
Salts,” ChemSusChem, vol. 14, no. 1, pp. 363–372, 2021, doi: 10.1002/cssc.202002267.'
mla: Hu, Yuya, et al. “Catalytic, Kinetic, and Mechanistic Insights into the Fixation
of CO2 with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium
Salts.” ChemSusChem, vol. 14, no. 1, Wiley, 2021, pp. 363–72, doi:10.1002/cssc.202002267.
short: Y. Hu, Z. Wei, A. Frey, C. Kubis, C. Ren, A. Spannenberg, H. Jiao, T. Werner,
ChemSusChem 14 (2021) 363–372.
date_created: 2023-01-22T20:34:17Z
date_updated: 2025-11-10T08:04:27Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1002/cssc.202002267
extern: '1'
intvolume: ' 14'
issue: '1'
keyword:
- T1
language:
- iso: eng
page: 363-372
publication: ChemSusChem
publication_identifier:
issn:
- 1864-5631
- 1864-564X
publication_status: published
publisher: Wiley
status: public
title: Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO2
with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts
type: journal_article
user_id: '89271'
volume: 14
year: '2021'
...
---
_id: '37946'
abstract:
- lang: eng
text: AbstractThe facile synthesis of highly functionalized
building blocks with potential biological activity is of great interest to medicinal
chemistry. The benzoxepinone core structures commonly exhibit biological activity.
Thus, a short and efficient synthetic route towards benzoxepine containing scaffold,
which enables late stage modification was developed. Namely, base-free catalytic
Wittig reactions enabled the synthesis of bromobenzoxepinones from readily available
starting materials. Subsequent, Suzuki–Miyaura and Stille reactions proved to
be suitable methods to access a variety of benzoxepinone diaryl derivatives by
late stage modification in only three steps. This three-step reaction sequence
is suitable for high throughput applications and gives facile access to highly
complex molecular structures, which are suitable for further functionalization.
The antiproliferative properties of selected arylbenzoxepinones were tested in
vitro on monolayer tumor cell line A549. Notably, in this initial screening, these
compounds were found to be active in the micromolar range.
author:
- first_name: Thomas
full_name: Werner, Thomas
id: '89271'
last_name: Werner
orcid: 0000-0001-9025-3244
- first_name: Aiga
full_name: Grandane, Aiga
last_name: Grandane
- first_name: Linda
full_name: Pudnika, Linda
last_name: Pudnika
- first_name: Ilona
full_name: Domraceva, Ilona
last_name: Domraceva
- first_name: Raivis
full_name: Zalubovskis, Raivis
last_name: Zalubovskis
citation:
ama: Werner T, Grandane A, Pudnika L, Domraceva I, Zalubovskis R. Base-Free Catalytic
Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of
Highly Functionalized Arylbenzoxepinones. Synthesis. 2021;53(19):3545-3554.
doi:10.1055/a-1509-6078
apa: Werner, T., Grandane, A., Pudnika, L., Domraceva, I., & Zalubovskis, R.
(2021). Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short
Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones.
Synthesis, 53(19), 3545–3554. https://doi.org/10.1055/a-1509-6078
bibtex: '@article{Werner_Grandane_Pudnika_Domraceva_Zalubovskis_2021, title={Base-Free
Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy
for the Preparation of Highly Functionalized Arylbenzoxepinones}, volume={53},
DOI={10.1055/a-1509-6078}, number={19},
journal={Synthesis}, publisher={Georg Thieme Verlag KG}, author={Werner, Thomas
and Grandane, Aiga and Pudnika, Linda and Domraceva, Ilona and Zalubovskis, Raivis},
year={2021}, pages={3545–3554} }'
chicago: 'Werner, Thomas, Aiga Grandane, Linda Pudnika, Ilona Domraceva, and Raivis
Zalubovskis. “Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as
Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones.”
Synthesis 53, no. 19 (2021): 3545–54. https://doi.org/10.1055/a-1509-6078.'
ieee: 'T. Werner, A. Grandane, L. Pudnika, I. Domraceva, and R. Zalubovskis, “Base-Free
Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy
for the Preparation of Highly Functionalized Arylbenzoxepinones,” Synthesis,
vol. 53, no. 19, pp. 3545–3554, 2021, doi: 10.1055/a-1509-6078.'
mla: Werner, Thomas, et al. “Base-Free Catalytic Wittig-/Cross-Coupling Reaction
Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized
Arylbenzoxepinones.” Synthesis, vol. 53, no. 19, Georg Thieme Verlag KG,
2021, pp. 3545–54, doi:10.1055/a-1509-6078.
short: T. Werner, A. Grandane, L. Pudnika, I. Domraceva, R. Zalubovskis, Synthesis
53 (2021) 3545–3554.
date_created: 2023-01-22T20:27:34Z
date_updated: 2025-11-10T08:47:47Z
department:
- _id: '35'
- _id: '2'
- _id: '657'
doi: 10.1055/a-1509-6078
intvolume: ' 53'
issue: '19'
keyword:
- T2
- T4
- CSSD
language:
- iso: eng
page: 3545-3554
publication: Synthesis
publication_identifier:
issn:
- 0039-7881
- 1437-210X
publication_status: published
publisher: Georg Thieme Verlag KG
status: public
title: Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic
Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones
type: journal_article
user_id: '89271'
volume: 53
year: '2021'
...