Assessment of aromatic amides in printed food contact materials: analysis of potential cleavage to primary aromatic amines during simulated passage through the gastrointestinal tract

Autor: Nataly Bittner, Andy Boon, Evert H. Delbanco, Christof Walter, Angela Mally

Publikováno v: Archives of Toxicology. 96:1423-1435

Recent analyses conducted by German official food control reported detection of the aromatic amides N-(2,4-dimethylphenyl)acetamide (NDPA), N-acetoacetyl-m-xylidine (NAAX) and 3-hydroxy-2-naphthanilide (Naphthol AS) in cold water extracts from certai

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2819b03056ea527842a35636de00a84a
https://doi.org/10.1007/s00204-022-03254-w

Theoretical investigation of the interactions between the π-systems of molecular organic semiconductors and an analysis of the contributions of repulsion and electrostatics

Autor: Charlotte Brückner, Christof Walter, Bernd Engels

Publikováno v: International Journal of Quantum Chemistry. 116:1138-1152

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::33740b9bd544cec39977e4c5ac2c6544
https://doi.org/10.1002/qua.25147

Structure–Property Relationships for Exciton and Charge Reorganization Energies of Dipolar Organic Semiconductors: A Combined Valence Bond Self-Consistent Field and Time-Dependent Hartree-Fock and DFT Study of Merocyanine Dyes

Autor: Bernd Engels, Frank Würthner, Charlotte Brückner, Christof Walter, Matthias Stolte, Klaus Meerholz, Benoît Braïda

Publikováno v: Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2015, 119 (31), pp.17602-17611. ⟨10.1021/acs.jpcc.5b06206⟩
Journal of Physical Chemistry C, 2015, 119 (31), pp.17602-17611. ⟨10.1021/acs.jpcc.5b06206⟩

International audience; We present an analysis of the optoelectronic properties of merocyanine dyes by means of valence bond self-consistent field (VBSCF), time-dependent Hartree-Fock (TD-HF), density functional theory (DFT), and high-level ab initio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0c5a2d4491f52598ad75d0aefa5cbfd4
https://doi.org/10.1021/acs.jpcc.5b06206

Perfusion-weighted Magnetic Resonance Imaging in Patients with Vasospasm: A Useful New Tool in the Management of Patients with Subarachnoid Hemorrhage

Autor: J. Max Findlay, Gabriele Schackert, R. Loch Macdonald, Maria Mörsdorf, Martin Bettag, Christof Walter, Frank Hertel

Publikováno v: Neurosurgery. 58(3)

OBJECTIVE: Cerebral vasospasm (VSP) is one of the most important risk factors for the development of a delayed neurological deficit after subarachnoid hemorrhage (SAH). Perfusion-weighted magnetic resonance imaging (pwMRI) provides the possibility of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43327e305197e848afc2dad11d3d51ee
https://pubmed.ncbi.nlm.nih.gov/28180503

Multidimensional spectroscopy of photoreactivity

Autor: Stefan Ruetzel, Bernd Engels, Christof Walter, Meike Diekmann, Patrick Nuernberger, Tobias Brixner

Publikováno v: Proceedings of the National Academy of Sciences. 111:4764-4769

Coherent multidimensional electronic spectroscopy is commonly used to investigate photophysical phenomena such as light harvesting in photosynthesis in which the system returns back to its ground state after energy transfer. By contrast, we introduce

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba92e97da193fbfbb784d2dd6a4f67e8
https://doi.org/10.1073/pnas.1323792111