Details
| Original language | English |
|---|---|
| Pages (from-to) | 6094-6097 |
| Number of pages | 4 |
| Journal | Chemical communications |
| Volume | 56 |
| Issue number | 45 |
| Early online date | 3 Apr 2020 |
| Publication status | Published - 7 Jun 2020 |
Abstract
We studied the impact of aliphatic side chains on the stability and conformational landscape of the local anaesthetics benzocaine, butamben and isobutamben, combining high-resolution rotational spectroscopy in the microwave and millimetre regions and molecular modelling. The study reveals the connections between alkyl chain flexibility and molecular conformations.
ASJC Scopus subject areas
- Chemical Engineering(all)
- Catalysis
- Materials Science(all)
- Electronic, Optical and Magnetic Materials
- Materials Science(all)
- Ceramics and Composites
- Chemistry(all)
- Materials Science(all)
- Surfaces, Coatings and Films
- Materials Science(all)
- Metals and Alloys
- Materials Science(all)
- Materials Chemistry
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In: Chemical communications, Vol. 56, No. 45, 07.06.2020, p. 6094-6097.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Conformational impact of aliphatic side chains in local anaesthetics
T2 - Benzocaine, butamben and isobutamben
AU - Insausti, A.
AU - Calabrese, C.
AU - Parra, M.
AU - Usabiaga, I.
AU - Vallejo-López, M.
AU - Écija, P.
AU - Basterretxea, F. J.
AU - Grabow, J.
AU - Caminati, W.
AU - Lesarri, A.
AU - Cocinero, E. J.
N1 - Funding Information: Financial support from the MINECO (CTQ2017-89150-R and PGC2018-098561-B-C22), Basque Government (IT1162-19 and PIBA 2018-11), the UPV/EHU (PPG17/10 and GIU18/207), CSIC (PIC2018 and LINKA20249), Fundación BBVA, Deutsche Forschungsgemeinschaft (DFG) and the Land Niedersachsen is acknowledged. A. I., C. C., and M. V. L. also thank the predoc and Juan de la Cierva contracts from the Basque Government and MECD. Computational resources and laser facilities of the UPV/EHU (SGIker) and CESGA were used in this work.
PY - 2020/6/7
Y1 - 2020/6/7
N2 - We studied the impact of aliphatic side chains on the stability and conformational landscape of the local anaesthetics benzocaine, butamben and isobutamben, combining high-resolution rotational spectroscopy in the microwave and millimetre regions and molecular modelling. The study reveals the connections between alkyl chain flexibility and molecular conformations.
AB - We studied the impact of aliphatic side chains on the stability and conformational landscape of the local anaesthetics benzocaine, butamben and isobutamben, combining high-resolution rotational spectroscopy in the microwave and millimetre regions and molecular modelling. The study reveals the connections between alkyl chain flexibility and molecular conformations.
UR - http://www.scopus.com/inward/record.url?scp=85085982943&partnerID=8YFLogxK
U2 - 10.1039/d0cc00760a
DO - 10.1039/d0cc00760a
M3 - Article
C2 - 32352456
AN - SCOPUS:85085982943
VL - 56
SP - 6094
EP - 6097
JO - Chemical communications
JF - Chemical communications
SN - 1359-7345
IS - 45
ER -