A5035273868- Metal complexes synthesis and properties
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Lanthanide and Transition Metal Complexes
- Chemical Synthesis and Analysis
- Metal-Catalyzed Oxygenation Mechanisms
- Trace Elements in Health
- Drug Transport and Resistance Mechanisms
- Metalloenzymes and iron-sulfur proteins
- Ferrocene Chemistry and Applications
- Molecular Sensors and Ion Detection
- Protein Interaction Studies and Fluorescence Analysis
- Computational Drug Discovery Methods
- Radioactive element chemistry and processing
- RNA and protein synthesis mechanisms
- Electrochemical Analysis and Applications
- Electrocatalysts for Energy Conversion
- Radiopharmaceutical Chemistry and Applications
- Protein Structure and Dynamics
- Magnetism in coordination complexes
- Free Radicals and Antioxidants
- Alzheimer's disease research and treatments
- Metal-Organic Frameworks: Synthesis and Applications
- Aerogels and thermal insulation
- Crystallography and molecular interactions
University of Debrecen
2015-2024
Catalytic Materials (United States)
2017-2019
We report the Mn(II) complexes with two pyclen-based ligands (pyclen = 3,6,9,15-tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene) functionalized acetate pendant arms at either positions 3,6 (3,6-PC2A) or 3,9 (3,9-PC2A) of macrocyclic fragment. The 3,6-PC2A ligand was synthesized in five steps from pyclen oxalate by protecting one secondary amine groups using Alloc chemistry. complex 3,9-PC2A is characterized a higher thermodynamic stability [log KMnL 17.09(2)] than analogue 15.53(1); 0.15...
The systems formed by the VIVO2+ ion with tridentate ligands provided (O, Nimine, O) donor set were described. studied 2,2′-dihydroxyazobenzene (Hdhab), α-(2-hydroxy-5-methylphenylimino)-o-cresol (Hhmpic), calmagite (H2calm), anthracene chrome red A (H3anth), calcon (H2calc), and calconcarboxylic acid (H3calcC). They can bind vanadium two deprotonated phenol groups imine nitrogen to give (5,6)-membered chelate rings. EPR, UV–vis IR spectroscopy, pH-potentiometry, DFT methods. form unusual...
The visible region of the electronic absorption spectra Cu(II) complexes was studied by time-dependent density functional theory (TD-DFT). performance twelve functionals in prediction maxima (λmax) tested on eleven compounds with different geometry, donors and charge. ranking for λmax determined terms mean absolute percent deviation (MAPD) standard (SD) it is as follows: BHandHLYP > M06 ≫ CAM-B3LYP MPW1PW91 ~ B1LYP BLYP HSE06 B3LYP B3P86 ω-B97x-D TPSSh M06-2X (SD). With MAPD 3.1% SD 2.3%,...
Until the recent years, substances containing radioactive
Detailed equilibrium, spectroscopic, and SOD activity studies are reported on nickel(II) complexes formed with the N-terminally free HHDLPCGVY-NH2 (NiSODHH) HCDLPHGVY-NH2 (NiSODHC) peptides mimicking nickel binding loop in NiSOD. In these model peptides, cysteine was incorporated different positions order to gain better insight into role of residues The results compared those obtained wild-type fragment complex formation equilibria two exhibit features. case NiSODHH, ligand field...
Copper(II) complexes of pyridine-based ligands functionalized with alanine (PydiAla) and tyrosine (PydiTyr) moieties have been synthesized as novel superoxide dismutase mimics. The were characterized by pH-potentiometric, spectroscopic (UV–vis, circular dichroism, mass spectrometry, electron paramagnetic resonance spectroscopy), computational (DFT), X-ray diffraction methods. Both form high stability copper(II) via the (Npy,N–,N–) donor set supported binding carboxylate pendant arms....
As cancer cells exhibit an increased uptake of iron, targeting the interaction with iron has become a straightforward strategy in fight against cancer. This work comprehensively characterizes chemical properties 6-methyl-3-{(2
Abstract Copper(II) complexes of the N‐terminal peptide fragments tau protein have been studied by potentiometric and various spectroscopic techniques (UV‐vis, CD, ESR ESI‐MS). The octapeptide Tau(9‐16) (Ac−EVMEDHAG−NH 2 ) contains H14 residue native protein, while Tau(26‐33) (Ac−QGGYTMHQ−NH its mutants Tau(Q26K‐Q33K) (Ac−KGGYTMHK−NH Tau(Q26K‐Y29A‐Q33K) (Ac−KGGATMHK−NH include H32 residue. To compare binding ability in a single molecule decapeptide Ac−EDHAGTMHQD−NH (Tau(12‐16)(30‐34)) has...
Abstract Time dependent density functional theory calculations are completed for five Ni(II) complexes formed by polydentate peptides to predict the electronic absorption spectrum. The ligands examined were glycyl‐glycyl‐glycine (GGG), glycyl‐glycyl‐glycyl‐glycine (GGGG), glycyl‐glycyl‐histidine (GGH), glycyl‐glycyl‐cysteine (GGC), and triethylenetetramine (trien). Fifteen functionals two basis sets tested. On of mean absolute percent deviation (MAPD), ranking among is: HSE06 ∼ MPW1PW91 PBE0...
Hexapeptides containing separate histidyl and cysteinyl residues have outstanding metal binding ability but the sites of peptides reveal a significant specificity.
Antimicrobial peptides are short cationic that present on biological surfaces susceptible to infection, and they play an important role in innate immunity. These peptides, like other compounds with antimicrobial activity, often have significant superoxide dismutase (SOD) activity. One direction of our research is the characterization modeling CuZnSOD enzyme determination their these results may contribute development novel peptides. In framework this research, we synthesized 10, 15,...
The novel synthesized cysteine peptides form stable zinc(<sc>ii</sc>) and cadmium(<sc>ii</sc>) complexes; the specific sequence makes possible metal induced amide deprotonation.
Detailed equilibrium and spectroscopic characterization of the complex formation processes nickel binding loop in NiSOD its related fragments is reported slightly acidic-alkaline pH range. The N-terminally free protected nonapeptides HCDLPCGVY-NH2 (NiSODM1), HCDLACGVY-NH2 (NiSODM3), Ac-HCDLPCGVY-NH2 (NiSODM2) shortened analogues HCDL-NH2 HCA-NH2 were synthesized, their nickel(II) complexes studied by potentiometric several techniques. EPR spectroscopy was also used to assign coordinating...
Copper(II) complexes formed with sulfonated salan ligands (HSS) have been synthesized, and their coordination chemistry has characterized using pH-potentiometry spectroscopic methods [UV–vis, electron paramagnetic resonance (EPR), electron–electron double (ELDOR)-detected NMR (EDNMR)] in aqueous solution. Several bridging moieties between the two salicylamine functions were introduced, e.g., ethyl (HSS), propyl (PrHSS), butyl (BuHSS), cyclohexyl (cis-CyHSS, trans-CyHSS), diphenyl (dPhHSS)....
The change of the histidine in peptide chain provides unusual binding behavior albumin related peptides.
The studies of rat amylin fragments and their mutants demonstrate the anchoring ability –SerSerAsnAsn– domain.
The discovery of the nephrogenic systemic fibrosis (NSF) and its link with in vivo dissociation certain Gd(III)-based contrast agents (CAs) applied magnetic resonance imaging (MRI) induced a still growing research to replace compromised safer alternatives. In recent years, several ligands were designed exploit luminescence properties lanthanides, containing structurally constrained aromatic moieties, which may form rigid Gd(III) complexes. One these is...
Abstract Complexation of the secondary N‐methyl‐acetohydroxamic acid (HMeaha) with [(η 6 ‐ p‐ cym)Ru(H 2 O) 3 ] 2+ , 5 ‐Cp*)Rh(H cym)Os(H or ‐Cp*)Ir(H cations and primary acetohydroxamic (HAha) former two (first time in literature) has been studied aqueous solution using pH‐potentiometry, NMR, ESI‐MS DFT calculations. Because arene arenyl ligands take three coordination sites metal ion, only remain free for interaction additional ligand(s). Meaha – forms five‐membered hydroxamate type...
For nickel(<sc>ii</sc>)-SSNX-NH<sub>2</sub> an equilibrium between the common (NH<sub>2</sub>,3N<sup>−</sup>(peptide)) and (NH<sub>2</sub>,2N<sup>−</sup>(peptide),N<sup>−</sup>(asparagine)) coordination modes was observed in a basic solution resulting increased stability of complexes.