Napredna pretraga

Pregled bibliografske jedinice broj: 1014715

Vibrational spectroscopy combined with molecular dynamics simulations as a tool for studying behavior of reactive aldehydes inserted in phospholipid bilayers


Bakarić, Danijela; Carić, Dejana; Vazdar, Katarina; Vazdar, Mario
Vibrational spectroscopy combined with molecular dynamics simulations as a tool for studying behavior of reactive aldehydes inserted in phospholipid bilayers // Chemistry and Physics of Lipids, 225 (2019), 104793, 9 doi:10.1016/j.chemphyslip.2019.104793 (međunarodna recenzija, članak, znanstveni)


Naslov
Vibrational spectroscopy combined with molecular dynamics simulations as a tool for studying behavior of reactive aldehydes inserted in phospholipid bilayers

Autori
Bakarić, Danijela ; Carić, Dejana ; Vazdar, Katarina ; Vazdar, Mario

Izvornik
Chemistry and Physics of Lipids (0009-3084) 225 (2019); 104793, 9

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Reactive aldehydes, phospholipid bilayer, vibrational spectroscopy, magnetic resonance spectroscopy, molecular dynamics simulations, hydrogen bonding

Sažetak
Vibrational Fourier-transform infrared (FTIR) spectroscopy aided with molecular dynamics (MD) simulations is used for studying the interaction of several reactive aldehydes (RAs), nonanal (NA), 2- nonenal (NE), 4-hydroxy-2-nonenal (HNE) and 4-oxo-2-nonenal (ONE), with 1- palmitoyl-2-oleoyl-sn-glycero-3- phosphocholine (POPC) bilayer. The results obtained by the combination of these two techniques, supported also by electron paramagnetic resonance (EPR) spectroscopy, show that NA has the strongest stabilization in the bilayer, followed by less stabilized NE, HNE and ONE. We also revealed that HNE readily makes hydrogen bonds to carbonyl groups of POPC (but not to phosphate groups), in contrast to other RAs which are hydrogen bond acceptors and do not make hydrogen bonds with lipids. A combination of FTIR spectroscopy and MD simulations is sensitive to small chemical changes in the structures of RAs, thus making it a valuable tool for studying the weak interactions between compounds inserted to phospholipid bilayers.

Izvorni jezik
Engleski



POVEZANOST RADA


Projekt / tema
HRZZ-IP-2018-01-3168 - Studija važnosti spinskih međudjelovanja kao osnova za nove pristupe u istraživanju materijala (Marina Ilakovac Kveder, )
HRZZ-UIP-2014-09-6090 - Molekularni aspekti oksidativnih procesa u stanicama (Mario Vazdar, )

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE


Citati