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Binding site switch by dispersion interactions: rotational signatures of fenchone‐phenol and fenchone‐benzene complexes

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Binding site switch by dispersion interactions: rotational signatures of fenchone‐phenol and fenchone‐benzene complexes. / Sanz, Maria Eugenia; Burevschi, Ecaterina; Alonso, Elena R.

In: Chemistry (Weinheim an der Bergstrasse, Germany), Vol. 26, No. 49, 01.09.2020, p. 11327-11333.

Research output: Contribution to journalArticle

Harvard

Sanz, ME, Burevschi, E & Alonso, ER 2020, 'Binding site switch by dispersion interactions: rotational signatures of fenchone‐phenol and fenchone‐benzene complexes', Chemistry (Weinheim an der Bergstrasse, Germany), vol. 26, no. 49, pp. 11327-11333. https://doi.org/10.1002/chem.202001713

APA

Sanz, M. E., Burevschi, E., & Alonso, E. R. (2020). Binding site switch by dispersion interactions: rotational signatures of fenchone‐phenol and fenchone‐benzene complexes. Chemistry (Weinheim an der Bergstrasse, Germany), 26(49), 11327-11333. https://doi.org/10.1002/chem.202001713

Vancouver

Sanz ME, Burevschi E, Alonso ER. Binding site switch by dispersion interactions: rotational signatures of fenchone‐phenol and fenchone‐benzene complexes. Chemistry (Weinheim an der Bergstrasse, Germany). 2020 Sep 1;26(49):11327-11333. https://doi.org/10.1002/chem.202001713

Author

Sanz, Maria Eugenia ; Burevschi, Ecaterina ; Alonso, Elena R. / Binding site switch by dispersion interactions: rotational signatures of fenchone‐phenol and fenchone‐benzene complexes. In: Chemistry (Weinheim an der Bergstrasse, Germany). 2020 ; Vol. 26, No. 49. pp. 11327-11333.

Bibtex Download

@article{96351f036b2c4a4db9e09139363fa950,
title = "Binding site switch by dispersion interactions: rotational signatures of fenchone‐phenol and fenchone‐benzene complexes",
abstract = "Non-covalent interactions between molecules determine molecular recognition and the outcome of chemical and biological processes. Characterising how non-covalent interactions influence binding preferences is of crucial importance in advancing our understanding of these events. Here, we analyse the interactions involved in smell and specifically the effect of changing the balance between hydrogen-bonding and dispersion interactions by examining the complexes of the common odorant fenchone with phenol and benzene, mimics of tyrosine and phenylalanine residues, respectively. Using rotational spectroscopy and quantum chemistry, two isomers of each complex have been identified. Our results show that the increased weight of dispersion interactions in these complexes changes the preferred binding site in fenchone and sets the basis for a better understanding of the effect of different residues in molecular recognition and binding events.",
keywords = "density functional calculations, molecular recognition, noncovalent interactions, odorants, rotational spectroscopy",
author = "Sanz, {Maria Eugenia} and Ecaterina Burevschi and Alonso, {Elena R.}",
year = "2020",
month = sep,
day = "1",
doi = "10.1002/chem.202001713",
language = "English",
volume = "26",
pages = "11327--11333",
journal = "Chemistry (Weinheim an der Bergstrasse, Germany)",
issn = "0947-6539",
number = "49",

}

RIS (suitable for import to EndNote) Download

TY - JOUR

T1 - Binding site switch by dispersion interactions: rotational signatures of fenchone‐phenol and fenchone‐benzene complexes

AU - Sanz, Maria Eugenia

AU - Burevschi, Ecaterina

AU - Alonso, Elena R.

PY - 2020/9/1

Y1 - 2020/9/1

N2 - Non-covalent interactions between molecules determine molecular recognition and the outcome of chemical and biological processes. Characterising how non-covalent interactions influence binding preferences is of crucial importance in advancing our understanding of these events. Here, we analyse the interactions involved in smell and specifically the effect of changing the balance between hydrogen-bonding and dispersion interactions by examining the complexes of the common odorant fenchone with phenol and benzene, mimics of tyrosine and phenylalanine residues, respectively. Using rotational spectroscopy and quantum chemistry, two isomers of each complex have been identified. Our results show that the increased weight of dispersion interactions in these complexes changes the preferred binding site in fenchone and sets the basis for a better understanding of the effect of different residues in molecular recognition and binding events.

AB - Non-covalent interactions between molecules determine molecular recognition and the outcome of chemical and biological processes. Characterising how non-covalent interactions influence binding preferences is of crucial importance in advancing our understanding of these events. Here, we analyse the interactions involved in smell and specifically the effect of changing the balance between hydrogen-bonding and dispersion interactions by examining the complexes of the common odorant fenchone with phenol and benzene, mimics of tyrosine and phenylalanine residues, respectively. Using rotational spectroscopy and quantum chemistry, two isomers of each complex have been identified. Our results show that the increased weight of dispersion interactions in these complexes changes the preferred binding site in fenchone and sets the basis for a better understanding of the effect of different residues in molecular recognition and binding events.

KW - density functional calculations

KW - molecular recognition

KW - noncovalent interactions

KW - odorants

KW - rotational spectroscopy

UR - http://www.scopus.com/inward/record.url?scp=85089372605&partnerID=8YFLogxK

U2 - 10.1002/chem.202001713

DO - 10.1002/chem.202001713

M3 - Article

VL - 26

SP - 11327

EP - 11333

JO - Chemistry (Weinheim an der Bergstrasse, Germany)

JF - Chemistry (Weinheim an der Bergstrasse, Germany)

SN - 0947-6539

IS - 49

ER -

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