An investigation of inter-ligand coordination and flexibility: IRMPD spectroscopic and theoretical evaluation of calcium and nickel histidine dimers

Supramolecular glasses with color-tunable circularly polarized afterglow through evaporation-induced self-assembly of chiral metal–organic complexes

“…L-Histidine (L-His), as an essential amino acid in human body, has natural chirality and photoactivity. It is also rich in supramolecular sites that are involved in self-assembly, driven by reversible and dynamic metal-ligand interaction and hydrogen-bonding 36 – 38 . Notably, the organic-metal binding between L-His and zinc(II) ion plays a vital role in the zinc finger proteins, where the classic motif has the zinc(II) ion coordinates to two L-His residues and two cysteine residues 39 – 42 .…”

Spectroscopic Investigation of the Metal Coordination of the Aromatic Amino Acids with Zinc and Cadmium

“…3 There is a continued interest in the study of fundamental metal ion-amino acid coordination and their structural characteristics. Earlier spectroscopic studies have examined the metal cationized amino acids in the following systems: histidine (His) 4,5 and histidine dimer (His-H)(His), 6,7 cysteine (Cys) and cysteine methyl ester (Cys-OMe), 8,9 glutamine (Gln), 10,11 serine (Ser), 12,13 asparagine (Asn), 14,15 glutamic acid (Glu), 16,17 aspartic acid (Asp), 17,18 arginine (Arg), 19−21 lysine (Lys), 22−24 threonine (Thr), 25,26 proline (Pro), 27 valine (Val), 28 glycine (Gly), 29,30 and methionine (Met). 31,32 Several studies have also examined the interactions between the AAAs and alkali, alkaline earth, and transition metal cations.…”

“…The above combination of functionals, basis sets, ECP, scaling factors, and the assumption that the ion populations are well-predicted by their relative energies at 298 K is consistent with previous work on similar systems. [4][5][6][7][8][9][10][12][13][14][15][16]18,19,[24][25][26]31,32 ■ RESULTS AND DISCUSSION Nomenclature. To facilitate a discussion about the identified complexes, the following naming system was used.…”

“…There is a continued interest in the study of fundamental metal ion-amino acid coordination and their structural characteristics. Earlier spectroscopic studies have examined the metal cationized amino acids in the following systems: histidine (His) , and histidine dimer (His-H)­(His), , cysteine (Cys) and cysteine methyl ester (Cys-OMe), , glutamine (Gln), , serine (Ser), , asparagine (Asn), , glutamic acid (Glu), , aspartic acid (Asp), , arginine (Arg), − lysine (Lys), − threonine (Thr), , proline (Pro), valine (Val), glycine (Gly), , and methionine (Met). , Several studies have also examined the interactions between the AAAs and alkali, alkaline earth, and transition metal cations. − In the present work, we extend these previous explorations to the assessment of the fundamental interactions between zinc or cadmium and the AAAs using infrared multiple photon dissociation (IRMPD) action spectroscopy. Zinc plays an important physiological role, while cadmium is an environmental pollutant that can replace the metal center in some zinc finger proteins .…”

Ligation Motifs in Zinc-Bound Sulfonamide Drugs Assayed by IR Ion Spectroscopy

“…IRMPD spectroscopy has been demonstrated to afford a valuable characterization of biologically active molecules and molecular complexes since its expansion as a structural diagnostic tool of mass-selected charged species [ 17 , 18 , 19 , 20 , 21 ]. In a considerable number of studies, including contributions from these authors, it has been applied to identify binding motifs and preferred geometries of transition metal complexes coordinating biomolecular ligands and targets [ 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 ]. Zinc complexes of biomolecules have also been assayed [ 33 , 34 , 35 , 36 , 37 , 38 ].…”