Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben
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 connec...
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| Veröffentlicht in: | Chemical communications (Cambridge, England) England), 2020-06, Vol.56 (45), p.694-697 |
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| container_title | Chemical communications (Cambridge, England) |
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| creator | Insausti, A Calabrese, C Parra, M Usabiaga, I Vallejo-López, M Écija, P Basterretxea, F. J Grabow, J.-U Caminati, W Lesarri, A Cocinero, E. J |
| description | 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.
A comprehensive conformational analysis and the impact of side chains on local anaesthetics in the case of benzocaine, butamben and isobutamben. |
| doi_str_mv | 10.1039/d0cc00760a |
| format | Article |
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A comprehensive conformational analysis and the impact of side chains on local anaesthetics in the case of benzocaine, butamben and isobutamben.</description><subject>Aliphatic compounds</subject><subject>Anesthetics</subject><subject>Chains</subject><subject>Molecular chains</subject><subject>Molecular conformation</subject><subject>Rotational spectra</subject><issn>1359-7345</issn><issn>1364-548X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp90b1P3TAQAHCrApWvLt1Brlgq1NBzHCd2t6e0pUhILCB1ixz7rOenJA5xMpS_HsPjQ-qAF9vnn07nO0I-MzhnwNV3C8YAVCXoD2Sf8bLIRCH_7jyehcoqXog9chDjBtJiQn4kezznIi9EuU82dRhcmHo9-zDojvp-1GamwVHd-XGdwoZGb5GatfZDpH6gXTAJ6kFjnNeYQPxBWxzuU9gP-I22y6z7FEjEUh_Dy_2I7DrdRfz0vB-S29-_buo_2dX1xWW9uspMUcCcidK2VVuy1jnOUTutQKS_sRZZpZwRkOfOVLaVqDE34BCtdRK0kE5JJZEfkq_bvOMU7pZUZNP7aLDr9IBhiU3OVSlFAaASPf2PbsIypT4kVYBiSgJjSZ1tlZlCjBO6Zpx8r6d_DYPmcQLNT6jrpwmsEj55Trm0PdpX-tLyBL5swRTN6-vbCJvRumSO3zP8AbM5l4I</recordid><startdate>20200607</startdate><enddate>20200607</enddate><creator>Insausti, A</creator><creator>Calabrese, C</creator><creator>Parra, M</creator><creator>Usabiaga, I</creator><creator>Vallejo-López, M</creator><creator>Écija, P</creator><creator>Basterretxea, F. J</creator><creator>Grabow, J.-U</creator><creator>Caminati, W</creator><creator>Lesarri, A</creator><creator>Cocinero, E. J</creator><general>Royal Society of Chemistry</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-7632-3728</orcidid><orcidid>https://orcid.org/0000-0002-2663-8091</orcidid><orcidid>https://orcid.org/0000-0002-1621-8536</orcidid><orcidid>https://orcid.org/0000-0002-0646-6341</orcidid><orcidid>https://orcid.org/0000-0002-1845-3759</orcidid><orcidid>https://orcid.org/0000-0003-4299-2098</orcidid></search><sort><creationdate>20200607</creationdate><title>Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben</title><author>Insausti, A ; Calabrese, C ; Parra, M ; Usabiaga, I ; Vallejo-López, M ; Écija, P ; Basterretxea, F. 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A comprehensive conformational analysis and the impact of side chains on local anaesthetics in the case of benzocaine, butamben and isobutamben.</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>32352456</pmid><doi>10.1039/d0cc00760a</doi><tpages>4</tpages><orcidid>https://orcid.org/0000-0001-7632-3728</orcidid><orcidid>https://orcid.org/0000-0002-2663-8091</orcidid><orcidid>https://orcid.org/0000-0002-1621-8536</orcidid><orcidid>https://orcid.org/0000-0002-0646-6341</orcidid><orcidid>https://orcid.org/0000-0002-1845-3759</orcidid><orcidid>https://orcid.org/0000-0003-4299-2098</orcidid><oa>free_for_read</oa></addata></record> |
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| identifier | ISSN: 1359-7345 |
| ispartof | Chemical communications (Cambridge, England), 2020-06, Vol.56 (45), p.694-697 |
| issn | 1359-7345 1364-548X |
| language | eng |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Aliphatic compounds Anesthetics Chains Molecular chains Molecular conformation Rotational spectra |
| title | Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben |
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