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Timári István
Application of modern NMR methods for the structure elucidation of biologically active molecules

TÉMAKIÍRÁS

Intézmény: Debreceni Egyetem
kémiai tudományok
Kémia Doktori Iskola

témavezető: Timári István
helyszín (magyar oldal): DE Kémia épület E 19
helyszín rövidítés: E 19


A kutatási téma leírása:

The biological activity of any molecules is primarily determined by the structure of the given molecule. Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful techniques for investigation of molecular structure in atomic detail. Due to the growing number of regulatory requirements for example in drug development, and consequently the increasing number of measurements required, there is a continuous demand for innovative methods that can provide maximal information in the shortest time possible. A recent research direction for speeding up the collection of NMR data sets is based on the sequential acquisition of such 2D sequences, where different pools of magnetization are exploited in a single supersequence. This approach offers significant time savings and increases the efficiency of NMR experiments compared to conventional data recording, since only a single recovery (relaxation) delay (d1) is employed in the combined pulse sequences. More recently, our research group has demonstrated that it was possible to completely discard the relaxation delay using the NORD (NO Relaxation Delay) strategy. We plan to apply advanced NMR experiments to enhance the structure determination procedure of biologically active compounds, such as carbohydrates and peptides. Nowadays, NMR spectroscopy is an emerging technique in metabolomics as well, which is the systematic study of metabolites in complex (biological) samples. One-dimensional (1D) 1H NMR is still the most frequently applied experiment due to its simplicity and good sensitivity. However, 1D 1H spectra of complex mixtures are often overcrowded, which makes the identification of many metabolites impossible causing a loss of potentially important information. Therefore, we also plan to design improved, multi-dimensional NMR experiments, which can make the characterization of metabolomics samples more accurate. We would like to apply these novel methods for metabolomics and foodomics projects in collaboration with multiple research groups.
Relevant publications to the research project:
Timári, I.; Nagy, T.; Kövér, K.; Sørensen, O.; Chem. Commun. 2022, 58, 2516.
Gyöngyösi, T.; Timári, I.; Sinnaeve, D.; Luy, B.; Kövér K.; Anal. Chem. 2021, 93, 3096.
Timári, I.; Wang, C.; Hansen, A. L.; Costa dos Santos, G.; Yoon, S. O.; Bruschweiler-Li, L.; Brüschweiler, R.; Anal. Chem. 2019, 91, 2304.

előírt nyelvtudás: angol
további elvárások: 
MSc degree in chemistry or related fields, strong background of organic chemistry and NMR spectroscopy, motivation to expand knowledge in structural chemistry, especially in NMR spectroscopy

felvehető hallgatók száma: 1

Jelentkezési határidő: 2023-01-16


2024. IV. 17.
ODT ülés
Az ODT következő ülésére 2024. június 14-én, pénteken 10.00 órakor kerül sor a Semmelweis Egyetem Szenátusi termében (Bp. Üllői út 26. I. emelet).

 
Minden jog fenntartva © 2007, Országos Doktori Tanács - a doktori adatbázis nyilvántartási száma az adatvédelmi biztosnál: 02003/0001. Program verzió: 2.2358 ( 2017. X. 31. )