Publications by authors named "A D Hofmann"

The alignment of permanent dipole moments and the resulting spontaneous orientation polarization (SOP) are commonly observed in evaporated neat films of polar organic molecules and lead to a so-called giant surface potential. In the case of mixed films, often enhanced molecular orientation is observed, i.e.

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Sulfur mustard gas (SM), an alkylating and vesicating agent, has been used frequently in many wars and conflicts. SM exposure to the eye results in several corneal abnormalities including scar/fibrosis formation. However, molecular mechanism for SM induced corneal fibrosis development is poorly understood.

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Background: Liberal or overtransfusion (OT) may be regarded as "inappropriate," but it is not reported as a transfusion-related adverse event. A definition of OT is lacking. OT may include overdosing of components, giving the incorrect component, or unnecessary administration without evidence of need for transfusion.

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Article Synopsis
  • Complexes featuring a doubly reduced carbonite ligand connect a nickel(II) center with a transition metal(II) ion (like Fe, Co, or Zn) have been synthesized.
  • NMR spectroscopy and DFT calculations show that the carbonite ligand shows flexible coordination in non-coordinating solvents.
  • The [Ni-CO-Fe] complex mirrors an intermediate in CO-conversion by the [Ni,Fe]-CODH enzyme, and findings suggest transition metals lower reduction potential while increasing C-O bond cleavage propensity, hinting at the functional choice of iron(II) in the enzyme's active site.
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Drug-induced photosensitivity is a potential adverse event of many drugs and chemicals used across a wide range of specialties in clinical medicine. In the present study, we investigated the feasibility of predicting the photosensitising effects of drugs and chemical compounds via state-of-the-art artificial intelligence-based workflows. A dataset of 2200 drugs was used to train three distinct models (logistic regression, XGBoost and a deep learning model (Chemprop)) to predict photosensitising attributes.

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