RT info:eu-repo/semantics/article
T1 The first stages of nanomicelle formation captured in the sevoflurane trimer
A1 Steber, Amanda
A1 Li, Wenqin
A1 Pate, Brooks H.
A1 Lesarri Gómez, Alberto Eugenio
A1 Pérez Cuadrado, Cristobal
K1 Molecular structures
K1 Estructuras moleculares
K1 Noncovalent interactions
K1 Interacciones no covalentes
K1 Monomers
K1 Monómeros
K1 Spectroscopy
K1 Espectroscopia
K1 2307 Química Física
AB Self-aggregation of sevoflurane, an inhalable, fluorinated anesthetic, provides a challenge for current state-of-the-art high-resolution techniques due to its large mass and the variety of possible hydrogen bonds between monomers. Here we present the observation of sevoflurane trimer by chirped-pulse Fourier transform microwave spectroscopy, identified through the interplay of experimental and computational methods. The trimer (>600 Da), one of the largest molecular aggregates observed through rotational spectroscopy, does not resemble the binding (C–H···O) motif of the already characterized sevoflurane dimer, instead adapting a new binding configuration created predominantly from 17 CH···F hydrogen bonds that resembles a nanomicellar arrangement. The observation of such a heavy aggregate highlights the potential of rotational spectroscopy to study larger biochemical systems in the limit of spectroscopic congestion but also showcases the challenges ahead as the mass of the system increases.
PB ACS Publications
SN 1948-7185
YR 2022
FD 2022
LK https://uvadoc.uva.es/handle/10324/53030
UL https://uvadoc.uva.es/handle/10324/53030
LA eng
NO Journal of Physical Chemistry Letters, 2022, vol. 13. p. 3770–3775
NO Producción Científica
DS UVaDOC
RD 25-abr-2024