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Dublin Core
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Title
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Bibliografía Nacional Química
Description
An account of the resource
Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
Contributor
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Departamento de Documentación y Biblioteca
RIQUIM
Document
A resource containing textual data. Note that facsimiles or images of texts are still of the genre text.
Dublin Core
The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/.
Title
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<strong>A quantum-mechanical study of methyl fluoroformate<br /></strong>
Subject
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METILFLUORFORMATO
ESTRUCTURA
ISOMEROS
ESPECTRO ELECTRONICO
BIBLIOGRAFIA NACIONAL QUIMICA
1980
Abstract
A summary of the resource.
It is found theoretically that the preferred conformation of methyl fluorofonnate is cis instead of trans as reported previously Semi-empirical(CNDO/2) and ab initio (STO-3G) methods were used and the geometry was partially optimized. The rotational barrier for the methyl group is calculated and its value, 1.07 kcal/mol (CNDO/2) and 1.08 kcal/mol (STO-3G), is in agreement with experiment. Dipole moments are also calculated but are smaller than the experimental values. Finally it is shown how the isomers can be identified using electronic spectra.
Creator
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<strong>Sosa, R. M.</strong>
<a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, O. N.</strong></a>
<strong>Libeles, A.</strong>
Source
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<span>Chemical Physics Letters v. 70, no. 1, 1980. -- p. 170-174</span>
Publisher
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Elsevier
Date
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1980
Rights
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<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</strong> protege el derecho 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</p>
<p>(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>
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PDF
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Artículo
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<span>ISSN: 0009-2614</span>
Espectro electrónico
Estructura
Isómeros
Metilfluorformato
-
https://riquim.fq.edu.uy/files/original/fdb97ea195899b2a341c1c39362084fa.pdf
310d4bac0675bb59e2ea5fb433ac39a0
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Omeka Image File
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IPTC Array
a:3:{s:7:"caption";s:95:"172 spine minimum. full size. Editor: Shawn/Katie JEM: Leslie
RTP: Brian Deever/Theresa Massey";s:6:"byline";s:15:"wardsdesign.com";s:11:"object_name";s:20:"joceah_v086i003.indd";}
IPTC String
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RTP: Brian Deever/Theresa Massey
byline:wardsdesign.com
object_name:joceah_v086i003.indd
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116
Dublin Core
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Title
A name given to the resource
Bibliografía Nacional Química
Description
An account of the resource
Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
Contributor
An entity responsible for making contributions to the resource
Departamento de Documentación y Biblioteca
RIQUIM
Document
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Original Format
If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
Dublin Core
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Title
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<strong>Isomerization and fragmentation reactions on the [C2SH4] potential energy surface: the metastable thione S-Methylide isomer.</strong>
Subject
The topic of the resource
AZUFRE
ISOMEROS
ENERGIA
DFT
REACCIONES QUIMICAS
ESTRUCTURA MOLECULAR
BIBLIOGRAFIA NACIONAL QUIMICA
2021
Abstract
A summary of the resource.
<p>Thione S-methylide, parent species of the thiocarbonyl ylide family, is a 1,3-dipolar species on the [C2SH4] potential energy surface, not so much studied as its isomers, thiirane, vinyl thiol, and thioacetaldehyde. The conrotatory ring-closure reaction toward thiirane was studied in the 90s, but no complete analysis of the potential energy surface is available. In this paper, we report a computational study of the reaction scheme linking all species. We employed several computational methods (density functional theory, CCSD(T) composite schemes, and CASSCF/CASPT2 multireference procedures) to find the best description of thione S-methylide, its isomers, and transition states. The barrier from thiirane to thione Smethylide amounts to 52.2 kcal mol−1 (against 17.6 kcal mol−1 for the direct one), explaining why thiocarbonyl ylides cannot be prepared from thiiranes. Conversion of thiirane to vinyl thiol implies a large barrier, supporting why the reaction has been observed only at high temperatures.<br />Fragmentations of thiirane to S(3P) or S(1D) and ethylene as well as decomposition to hydrogen sulfide plus acetylene were also explored. Triplet and singlet open-shell species were identified as intermediates in the fragmentations, with energies lower than the transition state between thiirane and vinyl thiol, explaining the preference of the latter at low temperatures.</p>
Creator
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<strong>Salta, Zoe</strong>
<strong>Segovia, Marcos E.</strong>
<a href="https://exportcvuy.anii.org.uy/cv/?9820276cf16af85d33b82163df7cb1c9c0b2ac718050062d216ef9983705ded94bd9fe0d6f77a4367a0b189c0dfbaf46eaf78ae3d8b36e38799312bcc9c3950f" target="_blank"><strong>Katz, Aline</strong></a>
<strong>Tasinato, Nicola</strong>
<strong>Barone, Vincenzo</strong>
<a href="https://exportcvuy.anii.org.uy/cv/?a7868d1a46654e7a04ba7167141502086fa0cfad8b13463f75d90af715685994bc8f3eafaad6f6d2f6647277c9782143df93695c8a7d8e14295323ca2e2847d3" target="_blank"><strong>Ventura, Oscar N.</strong></a>
Source
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Journal of Organic Chemistry, v. 86, n° 3, 2021. -- pp. 2941-2956.
Publisher
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<span>American Chemical Society</span>
Date
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2021
Rights
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<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)</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>
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PDF
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Artículo
Identifier
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<span id="docs-internal-guid-3ca65624-7fff-e3ab-ece7-020c300e85b8"><span>10.1021/acs.joc.0c02835 </span></span>
Azufre
DFT
Energía
Estructura Molecular
Isómeros
Reacciones químicas
-
https://riquim.fq.edu.uy/files/original/d8eb947a826e30f9d422e97bf34d9cce.pdf
dbc0cc0f3501b713029d40f674ba84bc
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Omeka Image File
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Title
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Bibliografía Nacional Química
Description
An account of the resource
Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
Contributor
An entity responsible for making contributions to the resource
Departamento de Documentación y Biblioteca
RIQUIM
Document
A resource containing textual data. Note that facsimiles or images of texts are still of the genre text.
Original Format
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PDF
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Title
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<strong>Structure elucidation of Triterpenoid Saponins found in an immunoadjuvant preparation of Quillaja brasiliensis using mass spectrometry and 1H and 13C NMR spectroscopy</strong>
Subject
The topic of the resource
SAPONINAS
QUILLAJA BRASILIENSIS
ESPECTROSCOPIA DE MASAS
ISOMEROS
ESPECTROSCOPIA DE RESONANCIA MAGNETICA NUCLEAR
BIBLIOGRAFIA NACIONAL QUIMICA
2022
Abstract
A summary of the resource.
An immunoadjuvant preparation (named Fraction B) was obtained from the aqueous extract of Quillaja brasiliensis leaves, and further fractionated by consecutive separations with silica flash MPLC and reverse phase HPLC. Two compounds were isolated, and their structures elucidated using a combination of NMR spectroscopy and mass spectrometry. One of these compounds is a previously undescribed triterpene saponin (Qb1), which is an isomer of QS-21, the unique adjuvant saponin employed in human vaccines. The other compound is a triterpene saponin previously isolated from Quillaja saponaria bark, known as S13. The structure of Qb1 consists of a quillaic acid residue substituted with a -D-Galp-(1!2)-[ -D-Xylp-(1!3)]- -D-GlcpA trisaccharide at C3, and a -D-Xylp-(1!4)- -L-Rhap-(1!2)-[ -L-Arap-(1!3)]- -D-Fucp moiety at C28. The oligosaccharide at C28 was further substituted at O4 of the fucosyl residue with an acyl group capped with a -D-Xylp residue.
Creator
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<strong>Wallace, Federico</strong>
<strong>Fontana, Carolina</strong>
<strong>Ferreira, Fernando</strong>
<strong>Olivaro, Cristina</strong>
Source
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Molecules 2022 v. 27, 2022. -- e2402
Publisher
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MDPI
Date
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2022
Rights
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<p><span><strong>Información sobre Derechos de Autor</strong></span></p>
<p><span>(Por favor lea este aviso antes de abrir los documentos u objetos)</span></p>
<p><strong>La legislación uruguaya protege el derecho de autor</strong><span> 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)</span></p>
<p><strong>ADVERTENCIA:</strong><span> 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.</span></p>
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PDF
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Inglés
Type
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Artículo
Identifier
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10.3390/molecules27082402
EspectroscopÍa de resonancia magnética nuclear
Espectroscopías de masas
Isómeros
Quillaja Brasiliensis
Saponinas
-
https://riquim.fq.edu.uy/files/original/4b8fd08b3e584d77b503a958657d603b.doc
0f4e6b73dad25df0b61ca80a92a78d89
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Title
A name given to the resource
Bibliografía Nacional Química
Description
An account of the resource
Contiene la producción científica nacional de los profesionales químicos e investigadores, durante el período 1929 hasta la fecha.
Contributor
An entity responsible for making contributions to the resource
Departamento de Documentación y Biblioteca
RIQUIM
Document
A resource containing textual data. Note that facsimiles or images of texts are still of the genre text.
Dublin Core
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Title
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<strong>Theoretical investigation of nitrogen disubstituted corannulenes</strong>
Subject
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NITROGENO
QUIMICA CUANTICA
ISOMEROS
2008
BIBLIOGRAFÍA NACIONAL QUÍMICA
Creator
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<a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank"><strong>Denis, Pablo A.</strong></a>
Source
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THEOCHEM v. 865, no.1-3, 2008. -- p.8-13
Publisher
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Elsevier
Date
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2008
Rights
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<p><strong>Información sobre Derechos de Autor</strong><br /> <br /> (Por favor lea este aviso antes de abrir los documentos u objetos)<br /> <br /> <strong>La legislación uruguaya</strong> protege el derecho 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<br /> <br /> (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)<br /> <br /> <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>
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PDF
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DOI: 10.1016/j.theochem.2008.06.007
Isómeros
Nitrógeno
Química cuántica