<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/">
<rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/4880">
    <dcterms:title><![CDATA[<strong>A structural and spectroscopic study on carquejol, a relevant constituent of the medicinal plant Baccharis trimera (Less.) DC. (Asteraceae)</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[PLANTAS MEDICINALES]]></dcterms:subject>
    <dcterms:subject><![CDATA[ESPECTROSCOPIA]]></dcterms:subject>
    <dcterms:subject><![CDATA[CARQUEJOL]]></dcterms:subject>
    <dcterms:subject><![CDATA[BACCHARIS TRIMERA]]></dcterms:subject>
    <dcterms:subject><![CDATA[ASTERACEAE]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2017]]></dcterms:subject>
    <dcterms:abstract><![CDATA[Carquejol and its acetate are monoterpenoids based on the rare o-menthane skeleton and distinctive components of the essential oil from Baccharis trimera. Carquejol was characterized by using Fourier Transform infrared (FT-IR) and Raman (FT-Raman), Ultraviolet&ndash;Visible (UV&ndash;Visible), Electronic Circular Dichroism (ECD), Mass, Hydrogen and Carbon Nuclear Magnetic Resonance (1H and 13C NMR) and 2D 1H1H gCOSY, 1H13CgHSQC, 1H13CgHMBC spectroscopies. Due to the chirality of this monoterpenoid, six different structures were analysed, of which only four showed higher populations and minimal energies. The natural bond orbital (NBO), atoms in molecules (AIM), Merz-Kollman (MK) charges, molecular electrostatic potentials (MEP) and frontier orbitals studies were performed in order to evaluate their structural, electronic, topological and vibrational properties. All calculations were performed by using the hybrid B3LYP method and the 6-31G* and 6-311++G** basis sets. The comparison of the experimental ECD spectra with the corresponding theoretical ones confirm the (4S,5R) configuration assigned to carquejol. The force fields for the most stable configurations were computed by using those two levels of theory and the complete vibrational assignments for the two conformations of carquejol are reported. The different orientations and directions of the dipole moments of the two structures and the proximity in the nucleophilic indexes with those reported for other terpenes could justify in part the potential biological properties reported for carquejol. The MEP surfaces for both structures reveal that the nucleophilic and electrophilic sites of higher reactivity are principally centred on the OH groups.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Minteguiaga, Manuel</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=2df81feedac99473a4e536d2623f04c3" target="_blank"><strong>Dellacassa, Eduardo</strong></a>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Iramain, Maximiliano A.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Catal&aacute;n, C&eacute;sar A. N.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Brand&aacute;n, Silvia Antonia</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Journal of Molecular Structure |g v. 1150, 2017. -- p. 8-20]]></dcterms:source>
    <dcterms:publisher><![CDATA[Elsevier]]></dcterms:publisher>
    <dcterms:date><![CDATA[2017]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Informaci&oacute;n sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislaci&oacute;n uruguaya protege el derecho</strong> de autor sobre toda creaci&oacute;n literaria, cient&iacute;fica o art&iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&oacute;n a lo establecido por el derecho com&uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptaci&oacute;n de las siguientes condiciones de uso: Este documento es &uacute;nicamente para usos privados enmarcados en actividades de investigaci&oacute;n y docencia. No se autoriza su reproducci&oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&oacute;n o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:language><![CDATA[Ingl&eacute;s]]></dcterms:language>
    <dcterms:type><![CDATA[Art&iacute;culo]]></dcterms:type>
    <dcterms:identifier><![CDATA[DOI: 10.1016/j.molstruc.2017.08.068]]></dcterms:identifier>
</rdf:Description><rdf:Description rdf:about="https://riquim.fq.edu.uy/items/show/7024">
    <dcterms:title><![CDATA[<strong>In vitro alexiteric activity of irregular monoterpenes derived from ortho-menthane against bothrops diporus Cope (Serpentes: Viperidae) venom</strong>]]></dcterms:title>
    <dcterms:subject><![CDATA[BACCHARIS TRIMERA]]></dcterms:subject>
    <dcterms:subject><![CDATA[VENENO DE SERPIENTE]]></dcterms:subject>
    <dcterms:subject><![CDATA[CARQUEJOL]]></dcterms:subject>
    <dcterms:subject><![CDATA[CARQUEJA]]></dcterms:subject>
    <dcterms:subject><![CDATA[BIBLIOGRAFIA NACIONAL QUIMICA]]></dcterms:subject>
    <dcterms:subject><![CDATA[2025]]></dcterms:subject>
    <dcterms:abstract><![CDATA[Many plant-derived compounds, mostly of mid-to-high molecular weight, exert alexiteric properties. However, some small phenolic molecules, such as 2-hydroxy-4-methoxybenzoic acid, are also known to be alexiteric by their ability to bind to snake venom proteins. This study presents the in vitro alexiteric activity of 2-isopropenyl-3-methylphenol [carquejiphenol, CARP; a minor compound of Baccharis trimera (Less.) DC. essential oil, BtEO] against Bothrops diporus Cope snake venom through the evaluation of proteolysis inhibition, haemolysis and coagulation and alteration of the venom proteins bands followed by SDS-PAGE. Additional CARP derivatives (ortho-menthane monoterpenes), including carquejol and carquejone, as well as BtEO and non-volatile extracts from B. trimera were included to have a broader picture of the alexiteric bioactivity. Notably, carquejone was the more active among all the tested samples. A basic structure-activity comparison with commercial standards revealed that the α,β-unsaturated carbonyl moiety is essential for the bioactivity.]]></dcterms:abstract>
    <dcterms:creator><![CDATA[<strong>Minteguiaga, Manuel</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Torres, Ana M.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Ricciardi Verrastro, Bárbara</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Ricciardi, Gabriela A.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Catalán, César A. N.</strong>]]></dcterms:creator>
    <dcterms:creator><![CDATA[<strong>Dellacassa, Eduardo</strong>]]></dcterms:creator>
    <dcterms:source><![CDATA[Natural Product Research, 2025.--]]></dcterms:source>
    <dcterms:publisher><![CDATA[Taylor &amp; Francis]]></dcterms:publisher>
    <dcterms:date><![CDATA[2025]]></dcterms:date>
    <dcterms:rights><![CDATA[<p><strong>Información sobre Derechos de Autor</strong></p>
<p>(Por favor lea este aviso antes de abrir los documentos u objetos)</p>
<p><strong>La legislación uruguaya protege el derecho</strong> de autor sobre toda creación literaria, científica o artística, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeción a lo establecido por el derecho común y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)</p>
<p><strong>ADVERTENCIA -</strong> La consulta de este documento queda condicionada a la aceptación de las siguientes condiciones de uso: Este documento es únicamente para usos privados enmarcados en actividades de investigación y docencia. No se autoriza su reproducción con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilización o cita de partes debe indicarse el nombre de la persona autora.</p>]]></dcterms:rights>
    <dcterms:format><![CDATA[PDF]]></dcterms:format>
    <dcterms:extent><![CDATA[7 p.]]></dcterms:extent>
    <dcterms:language><![CDATA[Inglés]]></dcterms:language>
    <dcterms:type><![CDATA[Artículo]]></dcterms:type>
    <dcterms:identifier><![CDATA[10.1080/14786419.2025.2463694]]></dcterms:identifier>
</rdf:Description></rdf:RDF>
