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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.
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Title
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<strong>Theoretical characterization of thioepoxidated single wall carbon nanotubes</strong>
Subject
The topic of the resource
FISICOQUIMICA
NANOTUBOS
CARBON
2008
BIBLIOGRAFÍA NACIONAL QUÍMICA
Abstract
A summary of the resource.
We have studied the external addition of sulfur to the walls of the (5,5) and (10,0) SWCNTs forming a cyclic thioepoxide. The binding energies are close to 32 kcal/mol, but they can be increased to 41 kcal/mol if the sulfur atoms are added forming a line along the axis of the (10,0) SWCNT. The addition of sulfur atoms to the (5,5) SWCNT alters the DOS but the tubes remains metallic. However, for the (10,0) SWCNT the exothermic addition of sulfur atoms can induce strong changes in the DOS, depending on the amount of sulfur atoms added. When we included one sulfur per 120 carbons, the (10,0) SWCNT showed metallic properties.<br /><br />
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>
<a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=fc7cd71892b1a9968ee19230dafdbd01" target="_blank"><strong>Faccio, Ricardo</strong></a>
Source
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Chemical Physics Letters v. 460, no.4-6, 2008. -- p. 486-491
Publisher
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Elsevier
Date
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2008
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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.cplett.2008.06.031
Carbon
Fisicoquímica
Nanotubos
-
https://riquim.fq.edu.uy/files/original/077b451d16a28b0605c7b0ec9a88199e.pdf
6b597d50199695d3f2a056dd2479f5d9
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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
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Departamento de Documentación y Biblioteca
RIQUIM
Document
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PDF
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Title
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<strong>Theoretical EPR study of Nitroindazoles: 3-Alkoxy, 3-Hydroxy and 3-Oxo Derivatives.</strong>
Subject
The topic of the resource
ESPECTROSCOPIA
TRYPANOSOMA CRUZI
ANTITRIPANOSOMAS
BIBLIOGRAFIA NACIONAL QUIMICA
2010
Abstract
A summary of the resource.
A DFT study on 5-NI derivatives was carried out at different levels of theory, in order to seek for the best methodology that helps us to calculate hyperfine coupling constants (hfccs), spin density distributions and electronic properties, since it is difficult to obtain a good agreement between calculated and experimental hfccs for nitrogen center radical compounds. Different functional hybrids namely B1LYP, B3LYP and PBE0 were used in conjunction with various medium to large size basis sets. C-PCM model was considered for solute-solvent interactions. Comparisons of our calculations with previous experimental data obtained from EPR and X-ray techniques confirmed that this computational approach represents an important aid. Our results indicated that solvent effects and consideration of diffuse functions are the most important factors on the calculation of hyperfine coupling constants for this nitro-heterocyclic system. Also, we found that some electronic properties calculated (LUMO orbital, condensed Fukui functions for nucleophilic attacks and electron affinity) do not correlate as expected with the biological activity.
Creator
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<strong>Rodríguez Becerra, Jorge</strong>
<strong>Olea-Azar, Claudio</strong>
<strong>Zapata Torres, Gerald</strong>
<strong>Mendizabal, Fernando</strong>
<strong>González, Mercedes</strong>
<strong>Cerecetto, Hugo</strong>
Source
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Journal of Brazilian Chemical Society v. 21, no. 10, 2010. -- p. 1937-1944
Publisher
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Sociedade Brasileira de Química
Date
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2010
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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 PORLA LEY DEDERECHO 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>
<p> </p>
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PDF
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Artículo
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http://dx.doi.org/10.1590/S0103-50532010001000020
Antitripanosomas
Espectroscopía
Trypanosoma cruzi
-
https://riquim.fq.edu.uy/files/original/8c61174bd2960f0e1ba0919c2a6a19f7.doc
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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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PDF
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Title
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<strong>Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1,2,4-thiadiazole derivatives</strong>
Subject
The topic of the resource
QUIMICA CUANTICA
CISTEINA PROTEASA
CAPTESINA
BIBLIOGRAFIA NACIONAL QUIMICA
2014
Abstract
A summary of the resource.
Several cellular disorders have been related to the overexpression of the cysteine protease cathepsin B (CatB), such as rheumatic arthritis, muscular dystrophy, osteoporosis, Alzheimer's disease, and tumor metastasis. Therefore, inhibiting CatB may be a way to control unregulated cellular functions and prevent tissue malformations. The inhibitory action of 1,2,4-thiadiazole (TDZ) derivatives has been associated in the literature with their ability to form disulfide bridges with the catalytic cysteine of CatB. In this work, we present molecular modeling and docking studies of a series of eight 1,2,4-thiadiazole compounds. Substitutions at two positions (3 and 5) on the 1,2,4-thiadiazole ring were analyzed, and the docking scores were correlated to experimental data. A correlation was found with the sequence of scores of four related compounds with different substituents at position 5. No correlation was observed for changes at position 3. In addition, quantum chemistry calculations were performed on smaller molecular models to study the mechanism of inhibition of TDZ at the active site of CatB. All possible protonation states of the ligand and the active site residues were assessed. The tautomeric form in which the proton is located on N2 was identified as the species that has the structural and energetic characteristics that would allow the ring opening of 1,2,4-thiadiazole.
Creator
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<a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_cvuy/exportador/ExportarPdf?hash=10d1055ca9d091523096be909df436b7" target="_blank"><strong>Vega Teijido, Mauricio Angel</strong></a>
<strong>El Chamy Maluf, Sarah</strong>
<strong>Ramalho Bonturi, Camila</strong>
<strong>Sambrano, Julio Ricardo</strong>
<a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, Oscar N.</strong></a>
Source
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Journal of Molecular Modelling v. 20, no.6, 2014. -- p. 2254-2268
Publisher
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Springer Berlin Heidelberg
Date
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2014
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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doi: 10.1007/s00894-014-2254-0
Captesina
Cisteina proteasa
Química cuántica
-
https://riquim.fq.edu.uy/files/original/acd80581e40c16aab63bdacd70f69976.pdf
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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.
Dublin Core
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Title
A name given to the resource
<strong>Theoretical investigation of Carbon-Sulfur triple bonds</strong>
Subject
The topic of the resource
AZUFRE
CARBON
CALCULOS AB INITIO
CALCULOS DE LA DENSIDAD
BIBLIOGRAFIA NACIONAL QUIMICA
2011
Abstract
A summary of the resource.
By means of first principle calculations we have investigated a set of molecules that are presumed to contain carbon–sulfur triple bonds, namely HCSOH, H3SCH, cis-FCSF, F3CCSF3, and F5SCSF3. For HCSOH, FCSF, and H3SCH we used the CCSD(T) methodology and the correlation-consistent basis sets. On the other hand, F3CCSF3 and F5SCSF3 were studied at the B3LYP, M06-2X, MP2, and G3 levels of theory. We found that none of these molecules display a carbon–sulfur adiabatic bond dissociation energy (ABDE) as strong as diatomic CS (170.5 kcalmol�1), or a diabatic bond dissociation energy (DBDE) larger than the one found in SCO (212.0 kcal mol�1), although the DBDE of FCSF comes quite close at 208.3 kcalmol�1. The CS ABDEs of F3CCSF3, F5SCSF3, and H3SCH are comparable to that of a single C�S bond. In contrast with the experimental results, F3CCSF3 and F5SCSF3 are predicted to be linear with C3v and Cs symmetry, respectively, at the B3LYP/6-311+GACHTUNGTRENUNG(3df,2p) level. MP2/6-311+GACHTUNGTRENUNG(2df,2p) calculations support the C3v symmetry for F3CCSF3, despite F5SCSF3 not having a perfect linear structure; the CSC angle is 174.68, which is nearly 208 larger than the experimental value. The analysis of the carbene structures of HCSOH and H3SCH revealed that they are not significant, because the triplet state is dissociative in these cases. However, for F3CCSF3 and F5SCSF3, the carbene triplet states lie 0.81 and 0.77 eV above the singlet state, respectively. In the same vein, our investigation supports the presence of a strong double bond for HCSOH. The conflicting evidence available for F3CCSF3 and F5SCSF3 makes it very difficult to determine the nature of the CS bonds. However, the bond dissociation energies and the singlet– triplet splittings clearly suggest that these compounds should be considered as masked sulfinylcarbenes. The analysis of the bond dissociation energies challenges the existence of a triple bond in these five molecules, but from a strictly thermodynamic standpoint, cis-FCSF is found to be the candidate most likely to exhibit triplebond character.
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>
<a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=61cb9707d2f1b34e7a18f0e5255264e0" target="_blank"><strong>Iribarne, Federico</strong></a>
Source
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Chemistry European Journal v. 17, no. 6, 2011. -- p. 1979-1987
Publisher
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Wiley
Date
A point or period of time associated with an event in the lifecycle of the resource
2011
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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Inglés
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Artículo
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http://dx.doi.org/10.1002/chem.201002840
Azufre
Cálculos Ab initio
Cálculos de la densidad
Carbon
-
https://riquim.fq.edu.uy/files/original/781170b0b6bd8ff04ed126a514710dc0.pdf
e178036d9674f251826713e8851bbff2
https://riquim.fq.edu.uy/files/original/161bbf984fdc32796e3e1cf15961e094.bmp
aa31e36d74e7cb7c63e421c9043fcb6e
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
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Title
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<strong>Theoretical investigation of ionized HSO and SOH.</strong>
Subject
The topic of the resource
QUIMICA ATMOSFERICA
BIBLIOGRAFIA NACIONAL QUIMICA
2010
Abstract
A summary of the resource.
The anharmonic force-fields of HSOþ and SOHþ have been determined employing the CCSD(T) methodology and the correlation consistent basis sets. The calculated fundamental frequencies of SOHþ are 1009, 1149 and 3317 cm�1, for the �SO, �bend and �OH, respectively. For HSOþ the computed fundamentals are 1060, 1190 and 2307 cm�1, for the �bend, �SO and �SH, respectively. The vibrational frequency observed at 1150�160 cm�1 for HSOþ, which was tentatively assigned to the bending-mode, is close to our computed value for the SO-stretching mode. Thus revision of the assignment is suggested. The computed ionization potentials for HSO and SOH are 9.933 and 10.096 eV, respectively. The former value is in excellent agreement with the experimental measurement, 9.918�0.016 eV. The onset to triplet HSOþ is calculated at 11.115 eV, in reasonable agreement with the experimental value 11.15�0.04 eV. To estimate the DHo f,298 of HSOþ and SOHþ we considered relativistic, core-valence and higher-order correlation effects. The recommended values are DHo f,298(HSOþ)¼223.6�0.5 and DHo f,298(SOHþ)¼230.7�0.5 kcal/mol. Finally, employing the experimental ionization potential of HSO and the DHo f,298(HSOþ) we recommend DHo f,298(HSO)¼�5.5�0.5 and DHo f,298(SOH)¼�2.0�0.5 kcal/mol.
Creator
An entity primarily responsible for making the resource
<a title="Curriculum" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24"><strong>Denis, Pablo A</strong></a>
Source
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Molecular Physics v. 108 , no. 13, 2010. -- p. 1739-1747
Publisher
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Taylor and Francis
Date
A point or period of time associated with an event in the lifecycle of the resource
2010
Rights
Information about rights held in and over the resource
<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>
<p> </p>
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PDF
Language
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Inglés
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Artículo
Identifier
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DOI: 10.1080/00268976.2010.489526
Química atmosférica
-
https://riquim.fq.edu.uy/files/original/4b8fd08b3e584d77b503a958657d603b.doc
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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
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>Theoretical investigation of nitrogen disubstituted corannulenes</strong>
Subject
The topic of the resource
NITROGENO
QUIMICA CUANTICA
ISOMEROS
2008
BIBLIOGRAFÍA NACIONAL QUÍMICA
Creator
An entity primarily responsible for making the resource
<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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Artículo
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DOI: 10.1016/j.theochem.2008.06.007
Isómeros
Nitrógeno
Química cuántica
-
https://riquim.fq.edu.uy/files/original/84d5354cb8619a6ba060d58634d34ee9.pdf
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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.
Original Format
If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
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Title
A name given to the resource
<strong>Theoretical investigation of the 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene (exTTF) dimer</strong>
Subject
The topic of the resource
FULLERENO
DIMEROS
BIBLIOGRAFIA NACIONAL QUIMICA
2015
Abstract
A summary of the resource.
9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene (exTTF) is commonly used as pincer in fullerene receptors. In order to understand how this molecule interacts with itself, and thus gain insight in the overall interaction in fullerene receptors which use exTTF as pincer, we studied the exTTF dimer at the M06-2X and ωB97XD levels of theory. The results indicate that this supramolecular complex displays an interaction energy which is larger than the one determined for corannulene. However, the most important difference between both fullerene pincers is not the interaction energy but the number of conformations available, which are larger for the exTTF-based dimer. In effect, at least four completely different structures of the exTTF dimer present interaction energies larger than that computed for corannulene. For this reason, exTTF is expected to: a) adopt strongly dispersion-bound conformations when it is used as pincer to construct fullerene receptors and b) intricate crystallographic structures when stacked with fullerenes.
Creator
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<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank"><strong>Denis, Pablo A.</strong></a>
<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=61cb9707d2f1b34e7a18f0e5255264e0" target="_blank"><strong>Iribarne, Federico</strong></a>
Source
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Structural Chemistry v. 26, no. 1, 2015. -- p. 171-176
Publisher
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Springer
Date
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2015
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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Inglés
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Artículo
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DOI: 10.1007/s11224-014-0480-9
Dimeros
Fulereno
-
https://riquim.fq.edu.uy/files/original/31322d438f313c872fcc5e7500045f9a.pdf
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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
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
A name given to the resource
<strong>Theoretical investigation of the stability, electronic and magnetic of thiolated single-wall carbon nanotubes</strong>
Subject
The topic of the resource
CARBON
NANOTUBOS
NANOTECNOLOGIA
NANOTECNOLOGIA COMPUTACIONAL
BIBLIOGRAFIA NACIONAL QUÍMICA
2009
Abstract
A summary of the resource.
The addition of SH and OH groups to single-wall carbon nanotubes (SWCNTs) was investigated employing first principles calculations. In the case of the semiconducting (10, 0) SWCNT the SWCNT-SH binding energy is weak, 2–4 kcal/mol. However, for the metallic (5, 5) SWCNT it is larger, 7–9 kcal/mol. Thus metallic SWCNTs seem to be more reactive to SH than the semiconducting ones. Indeed, the (6, 6) SWCNT is more reactive to SH than the (10, 0) SWCNT, by 2–3 kcal/mol, something that can be explained only considering the electronic structure of the tube, because the (6, 6) has a larger diameter. The binding energies are larger for the addition of the OH group, 25 and 30 kcal/mol for the (10, 0) and (5, 5) SWCNTs, respectively. When a single OH or SH group is attached to the metallic SWCNTs, we observe important changes in the DOS at the Fermi level. However, when multiple SH groups are attached, the changes in the electronic and magnetic properties depend on the position of the SH groups. The small binding energy found for the SH addition indicates that the successful functionalization of SWCNTs with SH, SCH3, and S(CH2)nSH groups is mostly due to the presence of defects created after acid treatment and to a minor extent by the metallic tubes present in the samples. Perfect semiconducting SWCNTs showed very low reactivity against the SH group.
Creator
An entity primarily responsible for making the resource
<a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank"><strong>Denis, Pablo Andrés</strong></a>
Source
A related resource from which the described resource is derived
International Journal of Quantum Chemistry |g v.109, nº 4, 2009. -- p.772-781
Publisher
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Wiley
Date
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2009
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 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
Language
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Ingles
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Artículo
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DOI 10.1002/qua.21886
Carbon
Nanotecnología
Nanotubos
-
https://riquim.fq.edu.uy/files/original/c8c6f62cf03ade995c1f891e24293c9f.pdf
00856400ed20b3ff9ad90ff1d68f3dcc
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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
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
A name given to the resource
<strong>Theoretical investigation of the stacking interactions between curved conjugated systems and their interaction with fullerenes</strong>
Subject
The topic of the resource
INVESTIGACIONES TEORICAS
FORMACION DE COMPLEJOS
SISTEMAS CONJUGADOS
BIBLIOGRAFIA NACIONAL QUIMICA
2011
Abstract
A summary of the resource.
Herein, we perform a M06-2X/6-311G investigation of the homo and mixed dimers formed between corannulene, sumanene, and pentaindenocorannulene; also, their complexes with C60 and C70 were studied. Despite the lower area of sumanene, the interaction of the sumanene-dimer is stronger that of the corannulene- dimer because of CH–p interactions. For mixed-dimers, when the concave and convex sides perfectly match the interactions are similar to those of the homodimers. However, when the concave area is larger than the convex one, CH–p interactions become important and perfect stacking is lost. The interaction between pentaindenocorannulene-C60 is twice that of corannulene-C60, and DG298 = �10.8 kcal/ mol. Thus, pentaindenocorannulene is a better choice to catch C60
Creator
An entity primarily responsible for making the resource
<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
A related resource from which the described resource is derived
Chemical Physics Letters v. 516, no. 1-3, 2011. -- p. 82-87
Publisher
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Elsevier
Date
A point or period of time associated with an event in the lifecycle of the resource
2011
Rights
Information about rights held in and over the resource
<p> </p>
<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>
<p> </p>
<p> </p>
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PDF
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Inglés
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Artículo
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doi:10.1016/j.cplett.2011.09.058
Formación de complejos
Investigaciones teóricas
Sistemas conjugados
-
https://riquim.fq.edu.uy/files/original/56007b4ef19e638fd46e3900d266cf10.pdf
53f520a06a88d397cb4bc661782b4efa
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Omeka Image File
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Bit Depth
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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.
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
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
A name given to the resource
<strong>Theoretical investigation of various aspects of two dimensional holey boroxine, B3O3</strong>
Subject
The topic of the resource
BERILIO
BORO
PROPIEDADES ELECTRICAS
PROPIEDADES ELECTRONICAS
PROPIEDADES OPTICA
INVESTIGACION TEORICA
BIBLIOGRAFIA NACIONAL QUIMICA
2019
Abstract
A summary of the resource.
By means of first-principles calculations, we study the structural, electronic and mechanical properties of the newly synthesized boron–oxygen holey framework (Chem. Comm. 2018, 54, 3971). It has a planar structure formed by B3O3 hexagons, which are joined via strong covalent boron–boron bonds. The six B3O3 units are connected with six-fold symmetry exhibiting a large hole with a surface area of 23 Å2, which is ideal for the adsorption of alkalis. For neutral alkalis, we found that the adsorption energy of potassium is 14 and 12 kcal mol−1 larger than those determined for sodium and lithium, respectively. In contrast, for alkali cations, there is a clear preference for lithium over sodium and potassium. With regard to its electronic properties, it is an insulator with an electronic band gap of 5.3 eV, at the HSE level of theory. We further investigate the effect of strain on the band gap and find it a less efficient technique to tune the electronic properties. The wide optical gap of B3O3 can be utilized in ultraviolet (UV) applications, such as UV photodetectors, etc. Additionally, the 2D elastic modulus of B3O3 (53.9 N m−1) is larger than that of Be3N2, silicene, and germanene. Besides, we also report bilayer and graphite-like bulk B3O3 and furthermore, find that the optoelectronic properties of the bilayer can be tuned with an external electric field. The great tunability of optical properties from UV to the visible range offers a vast range of applications in optoelectronics.
Creator
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<a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=1&cad=rja&uact=8&ved=2ahUKEwjAzt352r_mAhUBErkGHSG_ALIQFjAAegQIBBAG&url=https%3A%2F%2Fexportcvuy.anii.org.uy%2Fcv%2F%3F5838628233fef1a83df67e2235d927c4a69fd08d7b3b2cbd45f825b3b0327f2f869df055be96ee401aec1ab3995b9905c1339dbf8b5b1059582d0221c61fa4ea&usg=AOvVaw1-3bMhJ1paRert553HzPBB" target="_self"><strong>Denis, Pablo A.</strong></a>
<strong>Ullah, Saif<br /></strong>
<strong>Sato, Fernando</strong>
Source
A related resource from which the described resource is derived
RSC Advances v. 9, no. 64, 2019. -- p. 37526-37536
Publisher
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Royal Society of Chemistry
Date
A point or period of time associated with an event in the lifecycle of the resource
2019
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 (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</p>
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PDF
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Inglés
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Artículo
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DOI:10.1039/C9RA07338H
Berilio
Boro
Investigaciones teóricas
Propiedades electricas
Propiedades electrónicas
Propiedades ópticas
-
https://riquim.fq.edu.uy/files/original/bc2559e2cdcd1c7addfebf5fca26e74c.pdf
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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
A resource containing textual data. Note that facsimiles or images of texts are still of the genre text.
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
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
A name given to the resource
<strong>Theoretical investigation on the interaction between beryllium, magnesium and calcium with benzene, coronene, cirumcoronene and graphene</strong>
Subject
The topic of the resource
INVESTIGACION TEORICA
BERILIO
MAGNESIO
BENCENO
GRAFENO
BIBLIOGRAFIA NACIONAL QUIMICA
2014
Abstract
A summary of the resource.
The interaction energies (IE) between benzene and beryllium, magnesium and calcium were calculated at the CCSD(T)/CBS level and including corrections for core-valence and relativistic effects. The IE are 1.8, 2.3 and 3.2 kcal/mol for Be, Mg and Ca, respectively, In contrast with our previous findings for the benzene–Li complex, we found that the non-ionic structure is more stable than the ionic configuration. Thus, charge-transfer from alkaline earths to benzene would not take place. The performance of MP2 and DFT functionals is poor. At the complete basis set limit, M06-2X, M06-L, B97D and MP2 exhibited similar MAD (� 0.7–0.8 kcal/mol). When larger aromatic models were considered, the IE were similar to those computed for benzene. Finally, taking into account the drawbacks of the DFT functionals, the computed IE for the non-ionic adsorption of Be, Mg and Ca onto graphene, are tentatively estimated as 2.1, 2.7 and 2.9 kcal/mol, respectively.
Creator
An entity primarily responsible for making the resource
<a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=330eeda61de9937431a7182c44a5ee24" target="_blank"><strong>Denis, Pablo A.</strong></a>
<a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=61cb9707d2f1b34e7a18f0e5255264e0" target="_blank"><strong>Iribarne, Federico</strong></a>
Source
A related resource from which the described resource is derived
Chemical Physics v. 430, 2014. -- p. 1-6
Publisher
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Elsevier
Date
A point or period of time associated with an event in the lifecycle of the resource
2014
Rights
Information about rights held in and over the resource
<p> </p>
<p align="LEFT"><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>
Format
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PDF
Language
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Inglés
Type
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Artículo
Identifier
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http://dx.doi.org/10.1016/j.chemphys.2013.11.013
-
https://riquim.fq.edu.uy/files/original/f5dc1ba2d44bf3406870c6e71ca023a0.pdf
0ebebc2e46cd599f97051dd7aefd7031
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The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files.
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8
Channels
3
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150
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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
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.
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
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
A name given to the resource
<strong>Theoretical studies of hydrogen-bonded complexes using semiempirical methods</strong>
Subject
The topic of the resource
COMPLEJOS
HIDROGENO
BIBLIOGRAFIA NACIONAL QUIMICA
URUGUAY
1990
Abstract
A summary of the resource.
Recently proposed modified MNDO methods (MNDO/M and MNDO-PM3) for the study of hydrogen-bonded complexes are tested in four simple systems: (H2O)2, NH4+ · H2O, formamide water and formamide-methanol dimers. A comparison is made with AM1 since this method, intended to be a general improvement of MNDO, was already shown to fail in the former two dimers. Bifurcated hydrogen-bonded structures were always preferred over linear ones. AM1 also shows this artifact in the formamide-water dimer but not in the formamide-methanol one. This is due to the inability of -CH3 to bind to the carbonyl oxygen. In this case the AM1 optimized global minimum is in excellent agreement with the Hartree-Fock ab initio DZP optimized structure. Moreover, when it is physically impossible to form bifurcated hydrogen bonds, AM1 is in good agreement with ab initio results. MNDO/M and MNDO-PM3 (an improvement on AM1 ) do not give any bifurcated structure either in the former two dimers or in the formamide complexes. MNDO/M and MNDO-PM3 structures are in agreement with ab initio and experimental ones in almost all cases, except for the global minima in both the formamide-water and the formamide- methanol dimers. Singly hydrogen-bonded structures are predicted instead of the experimentally determined and ab initio calculated correct doubly hydrogen-bonded ones. MNDO-PM3, although not entirely correct, gives structures which are more correct than the MNDO/M ones. In conclusion, neither of these semiempirical methods is entirely correct. Overall, MNDO-PM3 seems to be more trustworthy than AM1 or MNDO/M, although these methods may be used when no bifurcated hydrogen bonds (AM1) or cycles (MNDO//M) exist. Failures of MNDO-PM3 indicate that a better semiempirical method is still needed for studies of solvation and hydrogen- bonded clusters.
Creator
An entity primarily responsible for making the resource
<strong>Coitiño, E.L.</strong>
<strong>Irving, K.</strong>
<strong>Rama, J.</strong>
<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, O.N.</strong></a>
Source
A related resource from which the described resource is derived
Journal of Molecular Structure (THEOCHEM) v. 69, 1990. p. 405-426
Publisher
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Elsevier
Date
A point or period of time associated with an event in the lifecycle of the resource
1992
Rights
Information about rights held in and over the resource
<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>
Format
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PDF
Language
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Inglés
Type
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Artículo
Identifier
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DOI:10.1016/0166-1280(90)80065-V
Complejos
Hidrógeno
-
https://riquim.fq.edu.uy/files/original/ea5bebe2dd66bcc404ce637760c59e40.pdf
c845c1000b6329c094a98acfecd6b7ea
https://riquim.fq.edu.uy/files/original/31ecf26c78cf300a1fda7ecfb182f661.jpg
b51850d2b8ba710e5b64c964f79195b8
Omeka Image File
The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files.
Bit Depth
8
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3
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122
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
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.
Original Format
If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
<p>PDF</p>
Dublin Core
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Title
A name given to the resource
<strong>Theoretical study of alkali metals (Li, Na, K) intercalation in the H2Ti3O7(100) surface</strong>
Subject
The topic of the resource
TEORIA FUNCIONAL DE LA DENSIDAD
METALES ALCALINOS
TERMODINAMICA
BIBLIOGRAFIA NACIONAL QUIMICA
2024
Abstract
A summary of the resource.
The H2Ti3O7 system has potential to be applied as a Li/Na/K-ion battery anode material. It is relevant to theoretically study the (100) nanosheet of this material since there are no studies regarding intercalation of Li/ Na/K in it. Density Functional Theory calculations with the Hubbard methodology (DFT + U) were conducted in order to find and test several intercalation sites for the three different metals, finding stability and high voltages in all of them. Moreover, the electronic density of states confirms the stability of the systems and charge transfer studies were performed to compare the electron transfer between the most stable sites of each intercalated metal and the surface. Nudged Elastic Band (NEB) calculations were performed, finding lower barriers of 0.54 eV and 0.41 eV for Li and Na diffusion. This study shows that this material is promising and can be a guide for future works.
Creator
An entity primarily responsible for making the resource
<strong>Juan, Julián</strong>
<strong>Fernández Werner, Luciana</strong>
<strong>Jasen, Paula V.</strong>
<strong>Bechthold, Pablo</strong>
<strong>Faccio, Ricardo</strong>
<strong>González, Estela A.</strong>
Source
A related resource from which the described resource is derived
Applied Surface Science v. 669, 2024. -- e160580
Publisher
An entity responsible for making the resource available
Elsevier
Date
A point or period of time associated with an event in the lifecycle of the resource
2024
Rights
Information about rights held in and over the resource
<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>
Format
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PDF
Extent
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9 p.
Language
A language of the resource
Inglés
Type
The nature or genre of the resource
Artículo
Identifier
An unambiguous reference to the resource within a given context
10.1016/j.apsusc.2024.160580
Metales alcallinos
Teoría funcional de la densidad
Termodinámica
-
https://riquim.fq.edu.uy/files/original/f5afd1f5f282e4170c3278b02e0f0905.pdf
0ebebc2e46cd599f97051dd7aefd7031
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Omeka Image File
The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files.
Bit Depth
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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
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.
Original Format
If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
Pdf
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
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<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
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
A name given to the resource
<strong>Theoretical study of Li intercalation in TiO2(B) surfaces</strong>
Subject
The topic of the resource
LITIO
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
DIOXIDO DE TITANIO
BATERIAS
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
BIBLIOGRAFIA NACIONAL QUIMICA
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
2020
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Abstract
A summary of the resource.
TiO2(B) has potential as an anode material for Li-ion batteries. Although theoretical and experimental studies related to the intercalation of Lithium (Li) in TiO2(B) already exist, to the best of our knowledge there are no studies in the open literature related to Li intercalation in low-index surfaces of this oxide phase. Therefore, we study the intercalation of Li in the (100) and (001) surfaces of TiO2(B) using Density Functional Theory (DFT). The DFT+U Hubbard methodology was included to consider the strong correlation of the “d” electron states of the transition metal. Electronic densities of states of the surfaces were analyzed in the diluted limit concentration of Li. We found a small-induced magnetic moment present. The diffusion of Li atoms in the surfaces was studied using the Nudged Elastic Band (NEB) method. Our results indicated that the Li intercalation in the (100) and the (001) surfaces is a favorable process. Moreover, we found diffusion pathways energetically stables for both surfaces. Calculations of charge density difference with Li intercalated in the energetically stable positions on the surfaces indicate that the charge density on Li is a local phenomenon and a charge transfer occurs from Li to the nearest Ti and O atoms.
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Creator
An entity primarily responsible for making the resource
<strong>Juan, Julián</strong>
<strong>Fernández-Werner, Luciana</strong><br />
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<strong>Jasen, Paula V.</strong>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<strong>Bechthold, Pablo</strong>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<strong>Faccio, Ricardo</strong>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<strong>González, Estela A.</strong>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Source
A related resource from which the described resource is derived
Applied Surface Science v. 526, 2020. --pp. 1-10.-- e 146460<br />
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Publisher
An entity responsible for making the resource available
Elsevier
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Date
A point or period of time associated with an event in the lifecycle of the resource
2020
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Rights
Information about rights held in and over the resource
<strong>Información sobre Derechos de Autor</strong> (Por favor lea este aviso antes de abrir los documentos u objetos)<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 (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) ADVERTENCIA - 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.
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Format
The file format, physical medium, or dimensions of the resource
Pdf
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Language
A language of the resource
Inglés
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<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Type
The nature or genre of the resource
Artículo
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<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Identifier
An unambiguous reference to the resource within a given context
https://doi.org/10.1016/j.apsusc.2020.146460
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<div id="sconnect-is-installed" style="display: none;">2.11.0.0</div>
Baterías
Dioxido de Titanio
Litio
-
https://riquim.fq.edu.uy/files/original/dd504d164ef2f02e05d8eb9fa7a36890.pdf
0ebebc2e46cd599f97051dd7aefd7031
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Omeka Image File
The metadata element set that was included in the `files_images` table in previous versions of Omeka. These elements are common to all image files.
Bit Depth
8
Channels
3
Height
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Width
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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
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.
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Departamento de Documentación y Biblioteca
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Title
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<strong>Theoretical study of new potential semiconductor surfaces performance for dye sensitized solar cell usage : TiO2-B (001), (100) and H2Ti3O7 (100)</strong>
Subject
The topic of the resource
SEMICONDUCTORES
CELULAS SOLARES
BIBLIOGRAFIA NACIONAL QUIMICA
2017
Abstract
A summary of the resource.
Hydrogen titanate (H2Ti3O7) and TiO2-B polymorph are potential surfaces identified experimentally in the last years, which need to be analyzed. To study their performance as surfaces for dye sensitized solar cells (DSSC), a set of dye adsorption configurations were evaluated on them, as model dye the small and organic catechol molecule was used. We have calculated adsorption geometry, energy, electronic transfer from dye to semiconductor adsorbent and frontier orbitals by means of density functional theory (DFT). Results show that vacancy-like defected H2Ti3O7 (100) and TiO2-B (100) surfaces present favorable adsorption energies. Finally, an adequate energy level alignment make both surfaces prone to be adequate for direct electron transfer upon excitation, from catechol to the conduction band of the semiconductors, with bands located in the Visible region of the electromagnetic spectrum. Additionally, the band structure alignment indicates an increase in the open circuit voltage, in reference to I2/I3− redox pair potential. All these characteristics make hydrogen titanate (H2Ti3O7) and TiO2-B polymorph promising for DSSC applications.
Creator
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<strong>Germana, Estefanía</strong>
<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=fc7cd71892b1a9968ee19230dafdbd01" target="_blank"><strong>Faccio, Ricardo</strong></a>
<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=31ed37f6d0196c1ca18c1b4dfab6de76" target="_blank"><strong>Mombrú, Álvaro W.</strong></a>
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Applied Surface Science v. 426, 2017. -- p. 1182-1189
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Elsevier
Date
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2017
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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 <strong>OCTUBRE DE 2006)</strong></p>
<p><strong>ADVERTEN La coCIA</strong> -nsulta 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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DOI: 10.1016/j.apsusc.2017.08.012
Celulares solares
Semiconductores
-
https://riquim.fq.edu.uy/files/original/939e2c10f817d40998dad804ebe50c9b.pdf
0ebebc2e46cd599f97051dd7aefd7031
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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.
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Departamento de Documentación y Biblioteca
RIQUIM
Document
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Title
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<strong>Theoretical study of reaction mechanisms for the ketonization of vinyl alcohol in gas phase and aqueous solution</strong>
Subject
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CATALISIS
URUGUAY
BIBLIOGRAFIA NACIONAL QUIMICA
1987
Abstract
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Theoretical ab initio calculations are done on different mechanisms for the conversion of vinyl alcohol to acetaldehyde, both in gas phase and in solution. Several basis sets are used in order to assess the accuracy of the results in gas phase and a continuum model of the solvent is employed to mimic reactions in water solution. The results indicate a catalytic action of water in hydrated clusters in gas phase, whereas in solution, and within the error limits of our calculations, both neutral water-chain and ionic mechanisms appear to be equally probable. Finally, the action of acids or bases is tested through the analysis of the reaction of vinyl alcohol with H3O+ and HO−. The results of the calculations are shown to be in qualitative agreement with the experimental facts when 6-31++G basis set is used but not when either STO-3G or 4-31G basis sets are employed.
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<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, Oscar N.</strong></a>
<strong>Lledos, A.</strong>
<strong>Bonaccorsi, R.</strong>
<strong>Bertrán, Juan</strong>
<strong>Tomasi, Jacopo</strong>
Source
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Theoretica Chimica Acta v. 72, no.3, 1987. -- p. 175-195
Publisher
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Springer
Date
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1987
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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 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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DOI: 10.1007/BF00527661
Catálisis
-
https://riquim.fq.edu.uy/files/original/77897cb8a65adc3b7bc4bd7208fc77a0.pdf
fea4e5ec201a65a37a7aa93923da156f
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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
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Title
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<strong>Theoretical study of sequence selectivity and preferred binding mode of psoralen with DNA</strong>
Subject
The topic of the resource
QUIMICA ORGANICA
PSORALENOS
BIBLIOGRAFIA NACIONAL QUIMICA
2007
Abstract
A summary of the resource.
Psoralen interaction with two models of DNA was investigated using molecular mechanics and molecular dynamics methods. Calculated energies of minor groove binding and intercalation were compared in order to define a preferred binding mode for the ligand.We found that both binding modes are possible, explaining the low efficiency for monoadduct formation from intercalated ligands. A comparison between the interaction energy for intercalation between different base pairs suggests that the observed sequence selectivity is due to favorable intercalation in 5�-TpA in (AT)n sequences.
Creator
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<strong>Sáenz, Patricia</strong>
<strong>Guedes, R.C</strong>
<strong>dos Santos, D.J.V.A</strong>
<strong>Eriksson, L.A.</strong>
Source
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Research Letters in Physical Chemistry no. 60623, 2007. --
Publisher
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Hindawi Publishing Corporation
Date
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2007
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 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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DOI:10.1155/2007/60623
Psoralenos
Química orgánica
-
https://riquim.fq.edu.uy/files/original/6d55bf4f70c954677d548b80558f3e9f.pdf
8215d1dacf940b8f000fa74cc4403eda
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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.
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If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
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>Theoretical study of the microhydration of 1-chloro and 2-chloro ethanol as a clue for their relative propensity toward dehalogenation</strong>
Subject
The topic of the resource
TERMODINAMICA
COMPUESTOS ORGANOCLORADOS
CLOROETANOL
BIBLIOGRAFIA NACIONAL QUIMICA 6530 |a 2019
2019
Abstract
A summary of the resource.
This work reports a computational analysis of hydrogen‐bonded clusters of mono‐, di‐, tri‐, and tetrahydrates of the chlorohydrins CH3CHClOH (1ClEtOH) and CH2ClCH2OH (2ClEtOH). The goal of the study is to assess the role of the water solvent into the facilitation of the initial step for dehalogenation of these compounds, a process of interest in several contexts. Molecular orbital methods (MP2), density functional methods (B3LYP, M06, and ωB97X‐D), and composite model chemistries (CBS‐QB3, G4) were employed to investigate the structure, electronic distribution, and hydrogen‐bonded structure of seven monohydrates, six dihydrates, five trihydrates, and five tetrahydrates of both species. Standard reaction enthalpy and standard Gibbs free reaction energy (urn:x-wiley:00207608:media:qua25931:qua25931-math-0001) were computed for all aggregates with respect to n independent water molecules and with respect to the dimer, trimer, and tetramer of water, respectively, in order to evaluate stability and hydrogen bonding network. The influence of the water chains on the length and vibrational frequencies, especially of the CCl and OH bonds, was evaluated. Hydrogen bonding in the complexes is discussed at length.
Creator
An entity primarily responsible for making the resource
<strong>Petsis, George</strong>
<strong>Salta, Zoi</strong>
<strong>Kosmas, Agnie Mylona</strong>
<a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=1&ved=2ahUKEwjO5a_q6r_mAhX1IbkGHWsNAxYQFjAAegQIBBAH&url=https%3A%2F%2Fexportcvuy.anii.org.uy%2FCvEstatico%2F%3FurlId%3Da7868d1a46654e7a04ba7167141502086fa0cfad8b13463f75d90af715685994bc8f3eafaad6f6d2f6647277c9782143df93695c8a7d8e14295323ca2e2847d3%26formato%3Dpdf%26convocatoria%3D21&usg=AOvVaw3DgPJlf--GOsjsu4KZ-hpA" target="_self"><strong>Ventura, Oscar N.</strong></a>
Source
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International Journal of Quantum Chemistry v. 119, no. 17, 2019. -- 15p.--e25931
Publisher
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Wiley
Date
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2019
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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DOI: 10.1002/qua.25931
Cloroetanol
Compuestos Organoclorados
Termodinámica
-
https://riquim.fq.edu.uy/files/original/7ef3aa084ab2bba5d6ab961cf1eee366.pdf
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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.
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If the image is of an object, state the type of object, such as painting, sculpture, paper, photo, and additional data
PDF
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Title
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<strong>Theoretical study of the reactions of the hydroselenyl radical (HSe●) with the selenenic radical (HSeO●)</strong>
Subject
The topic of the resource
SELENIO
AZUFRE
RADICALES
BIBLIOGRAFIA NACIONAL QUIMICA
2018
Abstract
A summary of the resource.
The formation of selenium species in some biological processes involves the generation of ionic and radical intermediates such as RSe●, RSe−, RSeO●, and RSeO−, among others. We performed a theoretical study of the possible mechanisms for the reaction of the two simplest Se radicals—the hydroselenyl (HSe●) and selenenic (HSeO●) radicals, in which the possible products, intermediates, and transition-state structures were investigated. Density functional theory (DFT) was applied at the B3LYP/6–311++G(3df,3pd) level and the Ahlrichs Coulomb fitting basis sets were employed with an effective core potential (ECP) for both Se atoms. The same procedure was used to calculate the electronic density. All calculations were also performed using the M06-2X functional, which describes weaker bonds better than B3LYP does. In the reaction of interest, the so-called CR complex (HSe····SeOH) is formed initially. After passing through the transition state TS1, cis-HSeSeOH is obtained as a product. If a low barrier is then overcome (passing through the transition state TS32), the trans-HSeSeOH species is obtained. The CR complex can also rearrange into the intermediate INT after overcoming the barrier presented by the transition state TS2. Additionally, the decomposition of INT to H2O and 1Se2 is possible through another transition state. This reaction is not included in this study. We also observed a second possible route for the conversion of INT to one of the HSeSeOH species; this route occurs through two pathways (with transition states TS31 and TS32). A comparison of some of the results with those obtained for sulfur analogs along the same pathways is also presented in this work.
Creator
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<strong>Vega Teijido, Mauricio Angel</strong>
<strong>Kieninger, Martina</strong>
<a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=1&ved=2ahUKEwjO5a_q6r_mAhX1IbkGHWsNAxYQFjAAegQIBBAH&url=https%3A%2F%2Fexportcvuy.anii.org.uy%2FCvEstatico%2F%3FurlId%3Da7868d1a46654e7a04ba7167141502086fa0cfad8b13463f75d90af715685994bc8f3eafaad6f6d2f6647277c9782143df93695c8a7d8e14295323ca2e2847d3%26formato%3Dpdf%26convocatoria%3D21&usg=AOvVaw3DgPJlf--GOsjsu4KZ-hpA" target="_self"><strong>Ventura, Oscar N.</strong></a>
Source
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Journal of Molecular Modeling v. 24, no. 1, 2018. --p. 1-8 .--e3
Publisher
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Springer
Date
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2018
Rights
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Información sobre Derechos de Autor (Por favor lea este aviso antes de abrir los documentos u objetos) La legislación uruguaya 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 (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) ADVERTENCIA - 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.
Format
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PDF
Language
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Inglés
Type
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Artículo
Identifier
An unambiguous reference to the resource within a given context
DOI: 10.1007/s00894-017-3535-1
Azufre
Radicales
Selenio
-
https://riquim.fq.edu.uy/files/original/7154aac326daa2514921d7a8dbdb0fc7.pdf
00856400ed20b3ff9ad90ff1d68f3dcc
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199
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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
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
A name given to the resource
<strong>Theoretical study of the structure of neutral, radical and anionic monoperoxo carbonic acid</strong>
Subject
The topic of the resource
BIOCARBONATOS
EPOXIDACIÓN
BIBLIOGRAFIA NACIONAL QUÍMICA
2009
Abstract
A summary of the resource.
Bicarbonate ion reacts with aqueous hydrogen peroxide, yielding monoperoxocarbonate (HCO4 �, PCA�). This species is a better oxidizing agent than hydrogen peroxide itself and has been shown to lead to double bond epoxidation of alkenes under mild conditions. The structure of this anion as well as that of the parent monoperoxocarbonic acid (H2CO4, HPCA) are not known experimentally. The structures of the neutral, anionic and radical species derived from H2CO4 are reported in this paper employing DFT and MP2 methods, both in gas phase and simulating the bulk water solvent using the PCM method. Several conformers are found, of which the most stable one in gas phase has a planar, hydrogen-bonded structure similar to the one observed for peroxyformic acid (PFA). However, optimization of this structure in the bulk solvent leads to a non-planar conformation with a gauche disposition of the bonds in the COOH group. It is furthermore shown that the barriers separating the conformers are much smaller in solution, thus allowing easy interconversion
Creator
An entity primarily responsible for making the resource
<strong>Patricia Sáenz.</strong>
<strong>Eriksson, Leif A.</strong>
<a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, Oscar N.</strong></a>
Source
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Journal of Molecular Structure : Teochem v. 913, no. 1-3, 2009. -- p.131-138
Publisher
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Elsevier
Date
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2009
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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 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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DOI: 10.1016/j.theochem.2009.07.029
Bicarbonatos
Epoxidación
-
https://riquim.fq.edu.uy/files/original/5c449c4380a5042feea6ee7f1834ed67.pdf
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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
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PDF
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Title
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<strong>Theorical study of the addition of hydrogen halides to olefins : a comparison between (HCl)2 and (HF)2 additions to ethylene </strong>
Subject
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ETILENO
OLEFINAS
HALURO DE HIDROGENO
BIBLIOGRAFÍA NACIONAL QUÍMICA
1987
URUGUAY
Abstract
A summary of the resource.
This paper presents a theoretical study of the addition of (HF)2 to ethylene using ab initio methods with the 3-21G basis set. Thermodynamical calculations to obtain ΔG°298 values were also made. Comparison with the bimolecular addition of HF to ethylene shows a larger stabilization of the transition state obtained, reflected in a decrease of the potential barrier. This fact, along with an analysis of the energy components and the mechanism, allows us to assert the catalytic activity of the second HF molecule. From the thermodynamics of the reaction, the need for a "bimolecular" collision between (HF)2 and ethylene and not a termolecular one is deduced, and the ability of this mechanism to explain data in the gas phase and in nonpolar solvents is sustained.
Creator
An entity primarily responsible for making the resource
<strong>Clavero, C.</strong>
<strong>Durán, M.</strong>
<strong>Lledos, A.</strong>
<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, Oscar N.</strong></a>
<strong>Bertran, J.</strong>
Source
A related resource from which the described resource is derived
Journal of Computational Chemistry v. 8, no.4, 1987. -- p. 481-488
Publisher
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Wiley
Date
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1987
Rights
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<h3>Derechos</h3>
<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 de autor</strong> 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>
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PDF
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Artículo
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DOI: 10.1002/jcc.540080428
Coverage
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Uruguay
1987
Bibliografía Nacional Química
Etileno
Haluro de hidrógeno
Olefinas
Uruguay
-
https://riquim.fq.edu.uy/files/original/8dce4a68c4c865030a24d62ea6fb65e6.pdf
381081c6197b4d45a931a88b922a3eeb
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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
A name given to the resource
<strong>Theorical study of the addition of hydrogen halides to olefins :reaction of dimeric HF with ethylene</strong>
Abstract
A summary of the resource.
This paper presents a theorical sutdy of the addition of (HF)2 to ethylene using ab initio methods with the 3-21G basis set. Thermodynamical calculations to obtain DeltaGo(298) values were also made. Comparison with the bimolecular addition of HF to ethylene shows a larger stabilization of the transition state obtained reflected in a decrease of the potential barrier. This fact along with an analysis of the energy components and the mechanism |b allows us to assert the catalytic activity of the second HF molecule. From the thermodynamics of the reaction |b the need for a "biomolecular" collision between (HF)2 and ethylene and not a termolecular one is deduced |b and the ability of this mechanism to explain data in the gas phase and in nonpolar solvents is sustained.
Creator
An entity primarily responsible for making the resource
<strong>Clavero, C.</strong>
<strong>Durán, M.</strong>
<strong>Lledos, A.</strong>
<a title="Curriculum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=40f23b501897bd535c01b6602f1ea346" target="_blank"><strong>Ventura, Oscar N.</strong></a>
<strong>Bertran, J.</strong>
Source
A related resource from which the described resource is derived
Journal of the American Chemical Society v. 108, no. 5, 1986. -- p. 923-928
Publisher
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American Chemical Society
Date
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1986
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 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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DOI: 10.1021/ja00265a014
Etileno
Olefinas
-
https://riquim.fq.edu.uy/files/original/7021be888dd215aa4cf4ebf7a6a8c78d.pdf
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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.
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
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
A name given to the resource
<strong>Therapeutic advantages of the combined use of closantel and moxidectin in lambs parasitized with resistant gastrointestinal nematodes</strong>
Subject
The topic of the resource
LACTONAS MACROCICLICAS
FARMACOCINETICA
OVEJAS
BIBLIOGRAFIA NACIONAL QUIMICA
2023
Abstract
A summary of the resource.
The serious widespread development of nematode resistance has motivated the use of combined anthelmintic formulations. However, the advantages/disadvantages of the combined use of anthelmintics require further scientific characterization. The goals of the current trial were a) to characterize the pharmacokinetics of closantel (CLO) and moxidectin (MXD) administered both subcutaneously (sc) and orally either separately or co administered (CLO + MXD) to lambs; b) to compare the nematodicidal activity of both molecules given indi vidually or co-administered to lambs infected with resistant nematodes. Seventy (70) Corriedale lambs naturally infected with multiple resistant gastrointestinal nematodes were involved in the pharmacokinetic and efficacy trials. The animals were allocated into six groups (n = 10) and treated with either CLO, MXD, or with the CLO + MXD combined formulation by both the oral and sc routes. Additionally, an untreated control group (n = 10) was included for the efficacy trial. The efficacy was estimated by the faecal egg count reduction test (FECRT). Higher systemic exposure of both CLO and MXD was observed after the sc compared to the oral administration in lambs. The combined administration of CLO + MXD did not markedly alter their disposition kinetics. At 13 days post treatment, the administration of both molecules as a single active principle reached efficacy levels ranging be tween 80% (MXDoral), 84% (CLOoral), 85% (CLOsc), and 92% (MXDsc). The combined oral and sc treatments reached 99% efficacy. No adverse effects were observed after the combined treatment of CLO + MXD, and their co-administration did not show any adverse pharmacokinetic interaction. The combined effect of CLO + MXD successfully restored the maximum efficacy levels, which were not reached by the individual active ingredients.
Creator
An entity primarily responsible for making the resource
<strong>Suárez, Gonzalo</strong>
<strong>Castells, Daniel</strong>
<strong>Imperiale, Fernanda</strong>
<a href="https://export.cvuy.uy/cv/?becdd2a1b27e38e24d175f5aea76d2e093a671ea8ce10a4f95e05f47f8fdb0b7b91df170759bd2c0a4e2387dd884389d1a8744c2e598ab978f4159af41bd1d6e" target="_blank"><strong>Fagiolino, Pietro</strong></a>
<strong>Canton, Candela</strong>
<strong>Lanusse, Carlos</strong>
<strong>Alvarez, Luis</strong>
Source
A related resource from which the described resource is derived
International Journal for Parasitology: Drugs and Drug Resistance, v.23, 2023. -- pp. 28-36
Publisher
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Elsevier
Date
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2023
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 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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9 p.
Language
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Inglés
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Artículo
Identifier
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10.1016/j.ijpddr.2023.07.004
Farmacocinética
Lactonas macrocíclicas
Ovejas
-
https://riquim.fq.edu.uy/files/original/45dfbe20ce0c154487c7a04201746a78.pdf
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208
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299
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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
A name given to the resource
<strong>Therapeutic carbamazepine (CBZ) and valproic acid (VPA) monitoring in children using saliva as a biologic fluid</strong>
Subject
The topic of the resource
CARBAMAZEPINA
ACIDO VALPROICO
NIÑOS
FLUIDOS BIOLOGICOS
2008
BIBLIOGRAFÍA NACIONAL QUÍMICA
Abstract
A summary of the resource.
OBJECTIVE: The aim of the study was to analyze retrospectively carbamazepine (CBZ) and valproic acid (VPA) salivary data collected from epileptic children during a 3-year period. METHODS: Saliva samples stimulated by citric acid were assayed by FPIA method. One hundred and three patients (aged 1-14 years) were in CBZ or VPA monotherapy or in CBZ-VPA combined therapy. RESULTS: VPA salivary levels were linearly related with daily dose, but a non-linear relationship was found for CBZ, in patients under monotherapy. VPA did not alter saliva CBZ concentration. Conversely, CBZ reduced VPA salivary levels. Non-responsive children displayed higher VPA concentrations. CBZ levels in uncontrolled patients showed non-significant difference in relation with controlled subjects even though their daily doses were higher. CONCLUSION: Citric acid stimulated saliva is reliable enough to perform therapeutic drug monitoring. Saliva drug levels in non-responsive patients would be explained according to the generalized efflux transporter overexpression hypothesis.
Creator
An entity primarily responsible for making the resource
<strong>Maldonado, C.</strong>
<a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=caabbc98478c9c9fb71e4b0eb4e4ccd5" target="_blank"><strong>Fagiolino, Pietro</strong></a>
<strong>Vázquez, Marta</strong>
<a title="currículum vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=9b0f413dec677697679ef0eb972502e2" target="_blank"><strong>Rey, Ana</strong></a>
<strong>Olano, I.</strong>
<strong>Eiraldi, Rosa</strong>
<strong>Scavone, C.</strong>
Source
A related resource from which the described resource is derived
Journal of Epilepsy and Clinical Neurophysiology v. 14, no. 2, 2008. -- p. 55-58
Publisher
An entity responsible for making the resource available
Liga Brasileira de Epilepsia (LBE)
Date
A point or period of time associated with an event in the lifecycle of the resource
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>
Format
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PDF
Language
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Inglés
Type
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Artículo
Identifier
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http://dx.doi.org/10.1590/S1676-26492008000200003
Ácido valproico
Carbanazepina
Fluídos biológicos
Niños
-
https://riquim.fq.edu.uy/files/original/5deb6f09007c765a60caf016ce44be20.pdf
00856400ed20b3ff9ad90ff1d68f3dcc
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Omeka Image File
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Bit Depth
8
Height
300
Width
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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
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
A name given to the resource
<strong>Therapeutic drug monitoring of anticonvulsants in saliva</strong>
Subject
The topic of the resource
SALIVA
MONITOREO DE DROGAS
BIBLIOGRAFIA NACIONAL QUIMICA
2007
Creator
An entity primarily responsible for making the resource
<a title="Currículum Vitae" href="http://buscadores.anii.org.uy/buscador_sni/exportador/ExportarPdf?hash=caabbc98478c9c9fb71e4b0eb4e4ccd5" target="_blank"><strong>Pietro Fagiolino</strong></a>
Source
A related resource from which the described resource is derived
Therapeutic Drug Monitoring and Clinical Toxicology Newsletter v. 6, 2007. -- p. 8-10
Date
A point or period of time associated with an event in the lifecycle of the resource
2007
Rights
Information about rights held in and over the resource
<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 (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>
Format
The file format, physical medium, or dimensions of the resource
PDF
Language
A language of the resource
Ingles
Type
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Artículo
Monitoreo de drogas
Saliva