We present the first large-scale molecular dynamics simulations of hexane on graphite that completely reproduce all experimental features of the melting transition. The canonical ensemble simulations required and used the most realistic model of the system: (i) a fully atomistic representation of hexane; (ii) an explicit site-by-site interaction with carbon atoms in graphite; (iii) the CHARMM f...

PURPOSE The purpose of this study was to compare the central corneal thickness (CCT) measurements of four noncontact devices in healthy eyes. MATERIALS AND METHODS In a sample of 45 healthy controls, CCT was measured using an optical biometer (IOLMaster 700) based on swept-source optical coherence tomography (SS-OCT), high-resolution rotating Scheimpflug camera system (Pentacam HR), spectral-...

A series of 24a-substituted milbemycin A, deriyatiyes were synthesized from 24a-hydroxymilbemycin A,, which had been obtained by the microbial oxidation of milbemycin A,. The acaricidal activity of each synthesized derivative against 71etrait},chus urticae was tested and some of the derjvatives showed higher activits, than parent milbemyein A4. Among them, 24a-methylmilbemycin A, (22) was the m...