A5057989606- Glycosylation and Glycoproteins Research
- Carbohydrate Chemistry and Synthesis
- Molecular spectroscopy and chirality
- Metabolomics and Mass Spectrometry Studies
- Analytical Chemistry and Chromatography
- NMR spectroscopy and applications
- Advanced NMR Techniques and Applications
- Proteoglycans and glycosaminoglycans research
- Galectins and Cancer Biology
- X-ray Diffraction in Crystallography
- Asymmetric Hydrogenation and Catalysis
- Organometallic Complex Synthesis and Catalysis
- Crystallization and Solubility Studies
- Electron Spin Resonance Studies
- Metal complexes synthesis and properties
- Organophosphorus compounds synthesis
- Advanced MRI Techniques and Applications
- Toxin Mechanisms and Immunotoxins
- Ion channel regulation and function
- Alkaline Phosphatase Research Studies
- Protein Structure and Dynamics
- Mass Spectrometry Techniques and Applications
- Nicotinic Acetylcholine Receptors Study
- Organoselenium and organotellurium chemistry
- Redox biology and oxidative stress
University of Debrecen
2014-2024
The Ohio State University
2017-2020
Full suppression of proton–proton couplings in pure shift HSQC spectra simplifies their analysis, as demonstrated for high precision RDC measurements.
We report broadband proton-decoupled CLIP/CLAP-HSQC experiments for the accurate determination of one-bond heteronuclear couplings and, by extension, reliable measurement small residual dipolar coupling constants. The combination an isotope-selective BIRD((d)) filter module with a non-selective (1)H inversion pulse is employed to refocus proton-proton evolution prior acquisition brief chunks free induction decay that are subsequently assembled reconstruct fully-decoupled signal evolution. As...
Accurate identification of lipids in biological samples is a key step lipidomics studies. Multidimensional nuclear magnetic resonance (NMR) spectroscopy powerful analytical tool for this purpose as it provides comprehensive structural information on lipid composition at atomic resolution. However, the interpretation NMR spectra complex mixtures currently hampered by limited spectral resolution and absence customized database along with user-friendly analysis tools. We introduce new...
Human Galectin-3 (
Until the recent years, substances containing radioactive
Spectral resolution in proton NMR spectroscopy is reduced by the splitting of resonances into multiplets due to effect homonuclear scalar couplings. Although these effects are often hidden protein low digital and routine apodization, behind scenes couplings increase spectral overcrowding. The possibilities for biomolecular offered new pure shift methods illustrated here. Both sensitivity improved, without any experiment time. In experiments, free induction decays collected short bursts data...
Sensitivity and resolution are key considerations for NMR applications in general metabolomics particular, where complex mixtures containing hundreds of metabolites over a large range concentrations commonly encountered. There is strong demand advanced methods that can provide maximal information the shortest possible time frame. Here, we present optimization application recently introduced 2D real-time BIRD 1H–13C HSQC experiment NMR-based aqueous samples at 13C natural abundance. For mouse...
Two pentasaccharide sulfonic acids that were related to the antithrombin-binding domain of heparin prepared, in which two or three primary sulfate esters replaced by sodium-sulfonatomethyl moieties. The sulfonic-acid groups formed on a monosaccharide level and obtained carbohydrate found be excellent donors acceptors glycosylation reactions. Throughout synthesis, hydroxy methylated masked form acetates sulfated with benzyl groups. disulfonic-acid analogue was prepared [2+3] block synthesis...
Among the NMR spectroscopic parameters, long-range heteronuclear coupling constants convey invaluable information on torsion angles relevant to glycosidic linkages of carbohydrates. A broadband homonuclear decoupled PSYCHE CPMG-HSQMBC method for precise and direct measurement multiple-bond couplings is presented. The scheme built into pulse sequence efficiently eliminates unwanted proton-proton splittings from multiplets so that desired can be determined simply by measuring frequency...
Computational description of conformational and dynamic properties anticoagulant heparin analogue pentasaccharides is crucial importance in understanding their biological activities. We designed synthesized idraparinux derivatives modified with sulfonatomethyl moieties at the D, F, H glucose units that display varied potencies depending on exact nature substitution. In this report we examined capability molecular dynamics (MD) simulations to describe behavior these novel derivatives. used...
A new method is proposed that allows broadband homonuclear decoupled CLIP/CLAP-HSQC NMR spectra to be acquired at virtually no extra cost in measurement time.
Knowledge of the chemical identity metabolite molecules is critical for understanding complex biological systems to which they belong. Since identities and their concentrations are often directly linked phenotype, such information can be used map biochemical pathways understand role in health disease. A very large number metabolites however still unknown; i.e., spectroscopic signatures do not match those existing databases, suggesting unknown molecule identification both imperative...
Abstract A broadband proton–proton‐decoupled CPMG‐HSQMBC method for the precise and direct measurement of long‐range heteronuclear coupling constants is presented. The Zangger–Sterk‐based homodecoupling scheme reported herein efficiently removes unwanted proton–proton splittings from multiplets, so that desired couplings can be determined simply by measuring frequency differences between singlet maxima in resulting spectra. proposed pseudo‐1D/2D pulse sequences were tested on nucleotides, a...
Human galectin-3 (
Gel permeation chromatography (GPC) is a generally applied method for the mass analysis of various polymers and copolymers, but it inherently fails to provide additional important information such as composition copolymers. However, we will show that GPC measurements using different solvents can yield not just correct molecular weight copolymer. Accordingly, artificial neural networks (ANNs) have been developed process data determine chemical The target values ANNs were obtained by...
Endomorphins (EM-1 and EM-2) are selective, high affinity agonists of the μ-opioid (MOP) receptor, an important target in pain regulation. Their clinical use is impeded by their poor metabolic stability limited entry to central nervous system. In this study, Pro2 residue EM-2 was modified systematically through substitution hydroxyproline (Hyp), (S)-β-homoproline (βPro), 2-aminocyclopentene-1-carboxylic acid (ΔAcpc), or 2-aminocyclohexene-1-carboxylic (ΔAchc) obtain stable MOP active...
The fundamental importance of protein-glycan recognition calls for specific and sensitive high-resolution techniques their detailed analysis. After the introduction
Abstract A convenient route to Se‐S ‐glycoside derivatives was developed using glycosyl isoselenuronium salts as glycosylselenenyl transfer reagents toward thiols. Aliphatic and aromatic thiols were found react in the presence of N,N ‐diisopropylethylamine a base furnished alkyl‐ or aryl glycosylselenenylsulfide derivatives. S ‐glycosylselenenyl‐cysteines obtained similarly via reactions with O,N ‐protected cysteine. Reactions monosaccharide provided disaccharide mimics featuring ‐...
Resonance assignment is a pivotal step for any nuclear magnetic resonance (NMR) analysis, such as structure elucidation or the investigation of protein–ligand interactions. Both 1H-13C heteronuclear single quantum correlation (HSQC) and 1H-1H spectroscopy (COSY) two-dimensional (2D) experiments are invaluable 1H NMR assignment, by extending high signal dispersion 13C chemical shifts onto resonances providing amount through-bond connectivity information, respectively. The recently introduced...
Abstract Novel CLIP‐COSY based homo‐ and heteronuclear correlation experiments are reported for the rapid, semi‐automated NMR assignment of small to medium‐sized molecules. The homonuclear corresponding relayed employ perfect‐echo mixing sequence in‐phase coherence transfer between directly and/or indirectly coupled proton spins. combined analysis resulting spectra made it possible easily track down, layer by layer, proton–proton connectivity network. In larger molecules narrow chemical...
O-GlcNAcylation is a dynamic post-translational modification mediated by O-linked β-N-acetylglucosamine transferase (OGT) and O-GlcNAc hydrolase (OGA), that adds or removes single (GlcNAc) moiety to from serine/threonine residues of nucleocytosolic mitochondrial proteins, respectively. The perturbed homeostasis cycling results in several pathological conditions. Human OGA promising therapeutic target diseases where aberrantly low levels are experienced, such as tauopathy Alzheimer's disease....
An efficient resolution method was elaborated for the preparation of (+)-4chloro-5-methyl-1-phenyl-1,2,3,6-tetrahydrophosphinine oxide using acidic Ca 2+ salt (-)-O,O-di-p-toluoyl-(2R,3R)-tartaric acid.Crystal structure diastereomeric complex evaluated by single crystal X-ray analysis.Beside this, absolute P-configuration also determined a CD spectroscopic study including theoretical calculations.The tetrahydrophosphinine then converted to corresponding platinum whose stereostructure...