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Chiral distinction in the proton pump inhibitor drugs omeprazole and in its chiral‐switch esomeprazole magnesium was studied employing the Density Functional Theory (DFT) method. At B3LYP/6‐311G(d,p), the 6‐methoxy∙∙∙6‐methoxy and 5‐methoxy∙∙∙5‐methoxy homochiral and heterochiral dimers were calculated. The chiral distinction free energies (ΔΔG298,(RS‐SS)) between the cyclic C2‐(S,S)‐ and Ci‐(R,S)‐dimers...
DNA‐based chiral selectors are constructed to discriminate ofloxacin enantiomers through metal‐ion anchoring on a special DNA double helix that contains successive GC pairs. The effects of metal ions involving Mg2+, Ni2+, Cu2+, Ag+, and Pt2+ were studied on the regulation of DNA chiral discrimination towards ofloxacin enantiomers. It is shown that DNA‐Cu(II) complexes exhibit the highest enantioselectivities...
Nanoparticles are molecular‐sized solids with at least one dimension measuring between 1–100 nm or 10–1000 nm depending on the individual discipline's perspective. They are aggregates of anywhere from a few hundreds to tens of thousands of atoms which render them larger than molecules but smaller than bulk solids. Consequently, they frequently exhibit physical and chemical properties somewhere between...
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