Methione tRNA synthetase (MetRS) is an essential enzyme involved in protein biosynthesis in all living organisms and is a potential antibacterial target. In the current study, the structure-based pharmacophore (SBP)-guided method has been suggested to generate a comprehensive pharmacophore of MetRS based on fourteen crystal structures of MetRS-inhibitor complexes. In this investigation, a hybri...

We analyze the structural, electronic, and magnetic properties of the europium chalcogenide series EuX (X = O, S, Se, and Te) using density-functional theory (DFT). To describe the localized 4f states of Eu, we utilize the parameter-free PBE0 and HSE hybrid functionals and found a systematic qualitative and quantitative improvement over the conventional local and semilocal functionals. Both hyb...

In aquatic invertebrates, particularly marine gastropods, organotin compounds induce irreversible sexual abnormality in females, which is termed imposex, at very low concentrations. Organotin compounds are agonists for nuclear receptors such as RXRs and PPARgamma. However, the imposex phenomenon has not been reported to act as an antagonist on estrogen receptors in other species, including vert...

Sheet molding compounds (SMC) are very promising for the production of lightweight structural components, due to specific mechanical properties combined with suitability a large-scale manufacturing process. Automotive industry already implements SMC materials components in their vehicle concepts. Polymeric materials, hence also fiber reinforced polymers, show viscoelastic behavior and dynamic-m...

This study investigated the volatile flavor compounds and antioxidant properties of the essential oil of chrysanthemums that was extracted from the fresh flowers of 10 taxa of Chrysanthemum morifolium from three species; namely Dendranthema morifolium (Ramat.) Yellow, Dendranthema morifolium (Ramat.) Red, Dendranthema morifolium (Ramat.) Pink, Dendranthema morifolium (Ramat.) White, Pericallis ...