Publications by authors named "P Dominiak"
Five species of the Holarctic genus Schizohelea occurring in Europe and North Africa are reviewed, diagnosed and illustrated. These are S. leucopeza (Meigen, 1804), S.
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- This study explores different methods for modeling electron density and electrostatic potential in organometallic complexes, particularly focusing on iron(III) acetylacetonate (FeAcAc) using electron diffraction (ED) data.
- The research compares the independent atom model (IAM) and the transferable aspherical atom model (TAAM), demonstrating that TAAM provides a more accurate representation of scattering factors and improves model fitting.
- Results showed significant improvements in fitting statistics (R values), indicating that TAAM outperforms IAM by providing better results in both 3D electron diffraction and single-crystal X-ray diffraction, especially in low-resolution data.
Reaching beyond the commonly used spherical atomic electron density model allows one to greatly improve the accuracy of hydrogen atom structural parameters derived from X-ray data. However, the effects of atomic asphericity are less explored for electron diffraction data. In this work, Hirshfeld atom refinement (HAR), a method that uses an accurate description of electron density by quantum mechanical calculation for a system of interest, was applied for the first time to the kinematical refinement of electron diffraction data.
View Article and Find Full Text PDF3D electron diffraction (3D ED), or microcrystal electron diffraction (MicroED), has become an alternative technique for determining the high-resolution crystal structures of compounds from sub-micron-sized crystals. Here, we considered L-alanine, α-glycine and urea, which are known to form good-quality crystals, and collected high-resolution 3D ED data on our in-house TEM instrument. In this study, we present a comparison of independent atom model (IAM) and transferable aspherical atom model (TAAM) kinematical refinement against experimental and simulated data.
View Article and Find Full Text PDFParkinson's disease (PD) is a significant health issue because it gradually damages the nervous system. α-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptors play a significant role in the development of PD. The current investigation employed hybrid benzodioxole-propanamide (BDZ-P) compounds to get information on AMPA receptors, analyze their biochemical and biophysical properties, and assess their neuroprotective effects.
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