Naslov
From icebergs to geysers: the story behind hydrophobic effect

Autori
Usenik, Andrea ; Leko, Katarina ; Hanževački, Marko ; Pičuljan, Katarina ; Petrović Peroković, Vesna ; Car, Željka ; Požar, Josip

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
5. Simpozij studenata doktorskih studija PMF-a 2021 : knjiga sažetaka / Barišić, Dajana - Zagreb : Prirodoslovno-matematički fakultet Sveučilišta u Zagrebu, 2021, 93-94

ISBN
978-953-6076-90-1

Skup
5. Simpozij studenata doktorskih studija PMF-a = 5th Faculty of Science PhD Student Symposium

Mjesto i datum
Zagreb, Hrvatska, 24.04.2021. - 25.04.2021

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Nije recenziran

Ključne riječi
hydrophobic effect ; solvophobic effect ; inclusion complex ; complexation thermodynamics ; cyclodextrins ; cucurbit[7]uril ; mannoconjugates

Sažetak
The temperature and solvent effect on the complexation of various guests (Figure 1) with α-, β- and γ-cyclodextrin and cucurbit[7]uril was explored experimentally and by means of molecular dynamics simulations. The stability constants of all investigated complexes were by far the highest with cucurbit[7]uril in water. A pronounced temperature dependence of ΔrH° and ΔrS°, resulting in almost complete enthalpy-entropy compensation was observed for most explored host-guest systems. For those systems complexation thermodynamics was in line with the classical rationale of the hydrophobic effect at lower temperatures, and the non-classical explanation at higher ones. The optimized inclusion complex structures corresponded to those deduced by means of NMR spectroscopy and the experimentally obtained and calculated ΔrG° were in very good agreement.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA