20.500.12556/RUL-186510 Exploring zinc(II) coordination chemistry with picolinate and amino alcohols toward new antibacterial agents Zinc(II) coordination chemistry with picolinate (abbreviated as pic$^–$, an anion of pyridine-2-carboxylic acid) and a series of β-amino alcohols (2-aminoethanol, 2-methylaminoethanol, 2-ethylaminoethanol, 2-dimethylaminoethanol, 2-amino-1-propanol, 1-amino-2-butanol, and 1-amino-2-methyl-2-propanol) was systematically investigated. Reaction systems typically yielded complexes with the general composition [Zn(pic)$_2$(amino alcohol)] via a straightforward synthetic route. Zinc(II) adopts an octahedral coordination environment consisting of two N,O-bidentate chelating picolinates and one amino alcohol, likewise coordinated in a chelating manner through amino and hydroxyl groups. As no fac isomers were isolated, the relative stability of mer and fac isomers of the 2-methylaminoethanol complex was evaluated by DFT calculations, which supported a preference for the mer geometry. Interestingly, the 1-amino-2-methyl-2-propanol system also produced an ionic species, [Zn(pic)$_3$]$^−$, which crystallized as a salt with protonated amino alcohol. All novel compounds were characterized using infrared and $^1$H NMR spectroscopy, elemental analysis, mass spectrometry, and single-crystal X-ray diffraction. Selected tris-chelates displayed moderate antibacterial activity against S. epidermidis, with MIC values ranging from 32 to 64 μg/mL, whereas picolinic acid alone was inactive. zinc(II) picolinic acid amino alcohols crystal structure DFT calculations antibacterial activity cink(II) pikolinska kislina amino alkoholi kristalne strukture DFT izračuni protibakterijsko delovanje true false true Angleški jezik Slovenski jezik Članek v reviji 2026-09-02 14:00:46 2026-09-02 14:00:48 2026-09-04 03:37:29 0000-00-00 00:00:00 2026 0 0 Str. 32955-32970 iss. 22 Vol. 11 9 Jun. 2026 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 546.47:547.435:547.82 2470-1343 10.1021/acsomega.6c02474 282035459 RAZ_Modec_Barbara_2026.pdf RAZ_Modec_Barbara_2026.pdf 1 A2A9FF818B96C717FDDBD55FB9D85DAE 80f07acf7fd65b9293346674035cc6832c7012fea691a629e7e2a177269c6787 2e61ca7b-a6c6-11f1-9b0d-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=245784 https://pubs.acs.org/doi/10.1021/acsomega.6c02474 1 97258661-a6c5-11f1-9b0d-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=245780 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0