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                <text>&lt;strong&gt;The structural and organic magnetoresistance response of poly(9-vinyl carbazole) using low applied magnetic fields and magnetic nanoparticle addition&lt;/strong&gt;</text>
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                <text>Herein, we report the tuning of the structural and organic magnetoresistance response of poly(9-vinyl carbazole) (PVK) with magnetic nanoparticle addition under exposure to low applied magnetic fields. X-ray diffraction analysis showed evidence of PVK conformational changes by either adding magnetic nanoparticles or by applying an external magnetic field. Molecular dynamics simulations suggested that the loss of aromaticity could lead to slight but detectable modifications in the PVK structure. Confocal Raman spectroscopy under low applied magnetic field evidenced modifications in PVK singlet and triplet populations followed by theoretical simulation to assign the vibrational modes in PVK different multiplicities. Both the addition of magnetic nanoparticles and the presence of an applied magnetic field showed an increase in the PVK triplet-to-singlet ratio. PVK nanocomposites showed negative low field magnetoresistance (MR) reaching maximum values of MR (2 kOe) = &amp;minus;1.1 and &amp;minus;9.0% for T = 280 and 20 K, respectively. The MR dependence with low applied magnetic fields showed a typical behavior in agreement with the electron&amp;ndash;hole recombination mechanism. This latter effect could be experimentally associated with the change in the PVK triplet-to-singlet ratio, as observed by Raman analysis. In addition, the PVK magnetoresistance effect could also be ascribed to conformational changes induced by the presence of magnetic nanoparticles and an applied magnetic field, as evidenced by X-ray diffraction analysis.</text>
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                <text>Journal of Materials Chemistry C |g v. 5, 2017. -- p. 3779-3787</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt; La legislaci&amp;oacute;n uruguaya protege el derecho&lt;/strong&gt; de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>DOI: 10.1039/C7TC00058H</text>
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                <text>&lt;strong&gt;The structural, optical and electrical properties of sodium titanate nanotubes sensitized with nitrogen/sulfur co-doped graphene quantum dots as potential materials for quantum dots sensitized solar cells&lt;/strong&gt;</text>
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                <text>In this work, we present the synthesis of nanoscale heterostructures of sodium titanate nanotubes Na2Ti2O5.H2O (NaNT) decorated with N- and S- co-doped graphene quantum dots (NS-GQD) for quantum dots sensitized solar cells (QDSSC). The study was mainly focused on the structural, microstructural, electrical and optical characterization of these nanoscale heterostructures by means of X ray diffraction, transmission electron microscopy, atomic force microscopy, Raman, UV&amp;ndash;vis and impedance spectroscopies. Our nanoscale heterostructures yielded a significant enhancement in the electric conductivity interpreted in terms of favorable interactions between the NS-GQD and the NaNT acting as proper connectors. Finally, our QDSSC prototype exhibits promising values for diffusion coefficient and recombination times as evidenced by means of impedance modulated photocurrent and photovoltage spectroscopies. Also, we consider that these materials could be further explored for electron transport layers applications in order to exploit the advantages regarding electron transport properties.</text>
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                <text>&lt;a href="https://export.cvuy.uy/cv/?b1240ae61b8631a332d7cbaf333ffaca" target="_blank"&gt;&lt;strong&gt;Esteves, Martin&lt;/strong&gt;&lt;/a&gt;</text>
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                <text>Materials Today Electronics v.3, 2023. -- e100029</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya protege el derecho&lt;/strong&gt;&amp;nbsp;de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt;&amp;nbsp;La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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&lt;p&gt;&lt;strong&gt;ADVERTENCIA&lt;/strong&gt;&amp;nbsp;- La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>The study of the adaptation mechanisms that allow microorganisms to live and proliferate in an extreme habitat is a growing research field. Directly exposed to the external environment, lipopolysaccharides (LPS) from Gram-negative bacteria are of great appeal as they can present particular structural features that may aid the understanding of the adaptation processes. Moreover, through being involved in modulating the mammalian immune system response in a structure-dependent fashion, the elucidation of the LPS structure can also be seen as a fundamental step from a biomedical point of view. In this paper, the lipid A structure of the LPS from Spiribacter salinus M19-40T, a halophilic gamma-proteobacteria, was characterized through chemical analyses and matrix-assisted laser desorption ionization (MALDI) mass spectrometry. This revealed a mixture of mono- and bisphosphorylated penta- to tri-acylated species with the uncommon 2 + 3 symmetry and bearing an unusual 3-oxotetradecaonic acid.</text>
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                <text>Marine Drugs v. 16, 2018. -- p. 1-11.--e16040124</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya protege el derecho&lt;/strong&gt; de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>The larvae of the cestodes belonging to the genus Echinococcus dwell primarily in mammalian liver. They are protected by the laminated layer (LL), an acellular mucin-based structure. The glycans decorating these mucins constitute the overwhelming majority of molecules exposed by these larvae to their hosts. However, their decoding by host innate immunity has not been studied. Out of 36 mammalian innate receptors with carbohydrate-binding domains, expressed as Fc fusions, only the mouse Kupffer cell receptor (KCR; CLEC4F) bound significantly to the Echinococcus granulosus LL mucins. The receptor also bound the Echinococcus multilocularis LL. Out of several synthetic glycans representing Echinococcus LL structures, the KCR bound strongly in particular to those ending in Gal&amp;alpha;1-4Gal&amp;beta;1-3 or Gal&amp;alpha;1-4Gal&amp;beta;1-4GlcNAc, both characteristic LL carbohydrate motifs. LL carbohydrates may be optimized to interact with the KCR, expressed only in liver macrophages, cells known to contribute to the tolerogenic antigen presentation that is characteristic of this organ.&lt;br /&gt;&lt;br /&gt;</text>
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                <text>Taking into account the low stability of the Sm(III)&amp;ndash;amino acids compounds and searching for thermodynamically stable compounds which contain biologically relevant ligands in the coordination sphere, mixed-ligand compounds have been studied by potentiometric measurements. The strategy was to use a stable core with Sm(III) and polycarboxylates (edta, nta, ida, etc.) and to substitute the labile positions (occupied by water molecules) by amino acids. Experiments were performed in aqueous solution at 37.0 &amp;deg;C and 0.15 M NaClO4, resembling physiological medium. In all cases, mixed-ligand species were detected in solution. If cores like nta or ida were used, it was possible to get amino acid containing complexes stable enough to be used at physiological pH, avoiding precipitation of Sm(OH)3. Single-crystal X-ray structure of K2.5(H3O)0.5[Sm(nta)2(H2O)]&amp;middot;5H2O is also reported. A nine coordinate Sm atom is found, surrounded by two N atoms and six O atoms from two nta ligands and one O from a water molecule. Geometry around Sm can be described as a tricapped trigonal prism.&lt;br /&gt;&lt;br /&gt;</text>
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                <text>We recently standardised Mesocestoides vogae&#13;
(syn. corti) tetrathyridia cultures in the presence of sodium&#13;
taurocholate. Parasite clustering and segmentation&#13;
were observed as taurocholate-dependent effects in biphasic&#13;
and monophasic media, respectively, and both&#13;
were inhibited by a specific minimum inhibitory concentration&#13;
(m.i.c.) of the cestocidal drugs albendazol and&#13;
praziquantel. In the present study, we analysed the relationship&#13;
between clustering inhibition and drug toxicity&#13;
using praziquantel and a mouse experimental&#13;
infection. In an ‘‘in vitro–in vivo’’ trial, a significant&#13;
(ANOVA, P&lt;0.05) reduction was observed in the infectivity&#13;
of tetrathyridia previously cultured with praziquantel&#13;
m.i.c. (0.06 lg/ml) for 10 days. In an ‘‘in vivo–in&#13;
vitro’’ trial, the clustering of tetrathyridia recovered&#13;
from mice treated with praziquantel was found to be&#13;
markedly reduced: 22%, compared with 83% clustercontaining&#13;
wells of parasites from control mice. These&#13;
results show that the outcome of infection and the&#13;
suppression of taurocholate-induced clustering provide&#13;
consistent indications of praziquantel toxicity against&#13;
M. vogae, an observation confirmed by histological&#13;
studies. The easily recorded clustering inhibition of&#13;
M. vogae tetrathyridia in biphasic medium is a potentially&#13;
useful system for the assessment of drug toxicity&#13;
against cestode larvae.</text>
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                <text>Parasitology Research v. 89, no. 6, 2003. -- p. 467-472</text>
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&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt; La legislaci&amp;oacute;n uruguaya protege el derecho&lt;/strong&gt; de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>The use of nanostructured materials for enzyme immobilization is an active field of research due to its large surface area and the new emergent properties derived from its size. The present work is focused on the synthesis of magnetic nanoparticles for the adsorption of cysteine-proteolytic enzymes extracted from Bromelia antiacantha Bertol (Bromeliaceae) fruit. The results show that enzyme adsorption is highly dependent on the temperature and pH. The biocatalyst activity increased up to 40 %, once immobilized onto the magnetic nanoparticles. In addition, they can be recovered using a magnet allowing them to be reused up to 5 cycles with a marginal loss (5 %) of the initial activity.</text>
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                <text>&lt;strong&gt;Furtado, Shirley&lt;/strong&gt;</text>
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                <text>&lt;a title="Curriculum Vitae" href="https://www.google.com/url?sa=t&amp;amp;rct=j&amp;amp;q=&amp;amp;esrc=s&amp;amp;source=web&amp;amp;cd=1&amp;amp;cad=rja&amp;amp;uact=8&amp;amp;ved=2ahUKEwjB76T92L_mAhXALLkGHfUrBZ0QFjAAegQIARAH&amp;amp;url=https%3A%2F%2Fexportcvuy.anii.org.uy%2Fpdf%2F%3Fbd8b7c287e1bdb475b38786d96574bc21c644cc92a497042503b97d738ee7bf7585334f57b6510e7209a7afc9025553d0d1dc743d6968b0ed4c3c847f1701193&amp;amp;usg=AOvVaw3V0pd9Xf__23TQqqL35ob3" target="_self"&gt;&lt;strong&gt;Cantera, Ana Mar&amp;iacute;a&lt;/strong&gt;&lt;/a&gt;</text>
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&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
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&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>Waxes from lime (L) and orange (0) fruits, residues from the citrus industry, were evaluated as possible control methods for Cryptotermes brevis (Walker), the dry-wood termite. This termite is apermanent threat to wooden materials and goods in tropical and subtropical countries. To identify active compounds, orange (0) and lime (L) waxes were partitioned between hexane and methanol. The methanolic extracts of both waxes were further fractionated by vacuum chromatography on silica gel using a polarity gradient of chloroform (01, L1), ethyl acetate (02, L2) and methanol (03, L3). These fractions were "painted" on Pinus sp. blocks. Termite mortality (expressed as % of dead insects) was evaluated over a 60 day period. 01 was active, resulting in an insect mortality of 80% at 45 days. The L2 fraction caused 45% mortality in 28 days The lime wax fraction (L3) resulted in 86% insect mortality at the end of the 60 days. A number of treated wood blocks were stored for 5 months, and exposed to termites after this period. Blocks treated with the O1 fraction were not consumed at all, but 75% of the insects exposed died. The evaluation of the chemical composition of active fractions revealed the presence of oxygenated terpenes and coumarins in O1. Furanocoumarins, flavonoids and limonin, compounds reported as bioactive, were identified in the wax fractions.</text>
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                <text>Sociobiology v. 51, no. 1, 2008. -- p. 283-293</text>
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                <text>Universidad Estadual de Feira de Santana</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;br /&gt; &lt;br /&gt; (Por favor lea este aviso antes de abrir los documentos u objetos)&lt;br /&gt; &lt;br /&gt; &lt;strong&gt;La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes&lt;br /&gt; &lt;br /&gt; (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)&lt;br /&gt; &lt;br /&gt; &lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>The aim of the present study was to present new evidence supporting the use of saliva as a biological fluid in relative bioavailability studies. Carbamazepine was chosen as a model drug because of its suitability for salivary therapeutic drug monitoring and its well-documented plasma bioavailability. A relative bioavailability study of four different immediate release carbamazepine products was performed. Stimulated saliva samples were collected by chewing on parafilm wax and by the spitting method. In vitro dissolution testing of formulations, using 900 ml of 1% sodium lauryl sulphate in water, was also carried out. The in vitro&amp;ndash; in vivo correlations obtained in this salivary study were consistent with previous correlations assessed using plasma. These results support the suitability of saliva as the biological fluid in relative bioavailability studies</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
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&lt;p&gt;&amp;nbsp;&lt;/p&gt;</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes&lt;/p&gt;&#13;
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&lt;p&gt;&lt;strong&gt;ADVERTENCIA&lt;/strong&gt; - La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>Conventional ab initio and density functional methods with extended basis sets were employed in the study of a path on the water-dimer potential energy surface. The results show that density functional methods do depend strongly on the type of exchange-correlation potential employed, as well as on the quality of the basis sets &amp;ndash; similarly to conventional ab initio methods &amp;ndash; and on the density of the grid. Gradient-corrected methods behave, as expected, better than uncorrected ones, the Becke&amp;ndash;Lee&amp;ndash;Yang&amp;ndash;Parr (BLYP) potential being the one that gives the best results. However, too large chemical- and hydrogen-bond lengths and absolute energies, as well as too small relative total and correlation energies demonstrate that even BLYP calculations with a relative large basis set are not good as MP2 calculations of the same size. Adiabatically connected functionals (ACM), represented in this work by B3PW91, provide an improvement on the whole surface.</text>
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&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes&lt;/p&gt;&#13;
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&lt;p&gt;&lt;strong&gt;ADVERTENCIA&lt;/strong&gt; - La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;&#13;
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                <text>The more significant bioactivities of a variety of semicarbazones (anti-protozoa, anticonvulsant) and thiosemicarbazones (antibacterial, antifungal, antitumoral, antiviral) and their metal complexes are reviewed together with proposed mechanisms of action and structure-activity relationships. Clinical or potential pharmacological applications of these versatile compounds are discussed.</text>
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                <text>Mini Reviews in Medicinal Chemistry v. 4, no. 1, 2004. -- p. 159-165</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes&lt;/p&gt;&#13;
&lt;p&gt;(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)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA&lt;/strong&gt; - La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;&#13;
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                <text>&lt;strong&gt;Theoretical characterisation of the SSO, cyclic SOS and SOS isomers&lt;/strong&gt;</text>
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                <text>The SSO, cyclic SOS and open SOS isomers have been investigated, employing the CCSD(T) methodology and the cc-pV(X&amp;thorn;d)Z X&amp;frac14;3, 4, 5, 6 basis sets. The anharmonic force fields have been calculated to predict the fundamental vibrational frequencies, rotational constants, vibration-rotation corrections, anharmonic corrections to zero-point energies, and structural parameters. At the CCSD(T)/CBS limit and including corrections for scalar relativistic effects, complete quadruple excitations, spin-orbit and core-valence correlation effects, the estimated enthalpies of formation are �13.9�1, 32.1�1, and �51.2�1 kcal/mol, for SSO, cyclic-SOS and open-SOS, respectively. Finally, it was found that the asymmetric SO stretch of the open and cyclic SOS isomers are located in a nearly identical position and it is likely that SOS also maybe present in the surface of Io.</text>
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                <text>Molecular Physics v. 108, no. 2, 2010. -- p. 171-179</text>
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                <text>Herein, using density functional calculations, we studied the substitutional doping in germanene with B, C, N, O, Al, Si, P, S, Ga, As, and Se. Nitrogen is the element that can be more easily incorporated into the germanene lattice, followed by silicon, carbon, and boron. Almost all dopants were efficient in opening a band-gap. Yet, caution should be taken because this opening strongly depends on the dopant concentration. Carbon and sulfur were the most effective elements for band-gap opening. C-doping generates the lowest effective masses (me*/m0=mh*/ m0=0.09). The equal me and mh values indicate an intrinsic semiconductor behavior, a characteristic shared by the chalcogenides- doped systems. Additionally, we performed a detailed analysis of the preferred disposition of dopants in the germanene lattice. In contrast with the results obtained for graphene, when multiple atoms are introduced in the germanene framework, they do not prefer to be agglomerated, adopting a random disposition, except in the case of sulfur and nitrogen, which favored specific dopant arrangement. Two sulfur dopants showed a notorious preference for replacing a Ge</text>
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&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya protege el derecho&lt;/strong&gt;&amp;nbsp;de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt;&amp;nbsp;La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>First-principles density functional theory (DFT) calculations are performed to assess the stability, and geometric, mechanical, optical and electronic properties of monolayer graphene-like Be3N2. We find that Be3N2 is a large band gap semiconductor with small electron and hole effective masses, which may promote its use in nanoelectronic devices. Furthermore, its excellent thermal, dynamical, and mechanical stability makes it a material of comparable caliber to that of graphene. In addition, the excellent electrochemical properties of Be3N2 make it a unique material with possible theoretical capacities of 974 mA h g&amp;minus;1 for Li, Na, and K. Moreover, Be3N2 can form bulk graphite-like layered structures with two different configurations, i.e. N2&amp;ndash;N1 and N2&amp;ndash;Be1. Finally, the derivatives of Be3N2 (Be3N2 nanoribbons) also possess direct band gaps which can be finely tuned to the desired level by geometry and morphology constraints. Based on these fascinating properties, Be3N2 and its derivatives can find a broad range of applications in nanoelectronics and battery technologies.</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt; La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>Following our investigations on hydrogen polyoxides, herein we employed coupled cluster theory in conjunction with Dunning's correlation consistent basis sets and density functional theory to study HOOOOOH (H2O5). The infrared spectra of H2O5 and its three deuterated isotopologues, as well as those of the five single-substituted 18O isotopologues are discussed in detail. Internal valence coordinates were employed to classify the vibrational modes. The Raman activity is reported to help in the identification of hydrogen pentoxide. The suggested enthalpy of formation is &amp;Delta;Hf,298&amp;deg; (HOOOOH) = 1.4 &amp;plusmn; 1.5 kcal/mol. This value includes corrections for relativistic and core-valence effects as well as anharmonic corrections to Zero-point energy corrections. &amp;copy; 2013 Wiley Periodicals, Inc.&lt;br /&gt;&lt;br /&gt;</text>
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                <text>&lt;strong&gt;Theoretical characterization of hydrogen polyoxides : HOOH, HOOOH, HOOOOH, and HOOO&lt;/strong&gt;</text>
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                <text>We have investigated the polyoxides HOOH, HOOOH, HOOOOH, and HOOO employing the CCSD(T) methodology, and the correlation consistent basis sets. For all molecules, we have computed fundamental vibrational frequencies, structural parameters, rotational constants, and rotation-vibration corrections. For HOOOH, we have obtained a good agreement between our results and microwave and infrared spectra measurements, although for the symmetric OO stretch some important differences were found. Heats of formation were computed using atomization energies, and our recommendation is as follows: &amp;Delta;Ho f,298(HOOOH) ) -21.50 kcal/mol and &amp;Delta;Ho f,298(HOOOOH) ) -10.61 kcal/mol. In the case of HOOO, to estimate the heat of formation, we have constructed three isodesmic reactions to cancel high order correlation effects. The results obtained confirmed that the latter effects are very important for HOOO. The new &amp;Delta;Ho f,298(HOOO) obtained is 5.5 kcal/mol. We have also calculated the zero-point energies of DO and DOOO to correct the experimental lower limit determined for the &amp;Delta;Ho f,298(HOOO). The &amp;Delta;(&amp;Delta;ZPE) decreases the binding energy of HOOO by 0.56 kcal/mol. Employing the latter value, the new experimental lower limit for &amp;Delta;Ho f,298(HOOO) is 3.07 kcal/mol, just 2.4 kcal/mol lower than our determination. We expect that the fundamental vibrational frequencies and rotational constants determined for HOOOOH and DOOOOD contribute to its identification in the gas phase. The vibrational spectrum of HOOOOH shows some overlapping with that of HOOOH thus indicating that one may encounter some difficulties in its characterization. We discuss the consequences of the thermochemical properties determined in this work, and suggest that the amount of HOOO present in the atmosphere is smaller than that proposed recently in this journal</text>
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                <text>&lt;strong&gt;Ornellas, Fernando R.&lt;/strong&gt;</text>
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                <text>Journal of Physical Chemistry A v.113, no.2, 2009. -- p.499-506</text>
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                <text>&lt;p&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya protege el derecho&lt;/strong&gt; de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes (LEY 9.739 DE 17 DE DICIEMBRE DE 1937 SOBRE PROPIEDAD LITERARIA Y ARTISTICA CON LAS MODIFICACIONES INTRODUCIDAS POR LA LEY DE DERECHO DE AUTOR Y DERECHOS CONEXOS No. 17.616 DE 10 DE ENERO DE 2003, LEY 17.805 DE 26 DE AGOSTO DE 2004, LEY 18.046 DE 24 DE OCTUBRE DE 2006 LEY 18.046 DE 24 DE OCTUBRE DE 2006)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;ADVERTENCIA -&lt;/strong&gt; La consulta de este documento queda condicionada a la aceptaci&amp;oacute;n de las siguientes condiciones de uso: Este documento es &amp;uacute;nicamente para usos privados enmarcados en actividades de investigaci&amp;oacute;n y docencia. No se autoriza su reproducci&amp;oacute;n con fines de lucro. Esta reserva de derechos afecta tanto los datos del documento como a sus contenidos. En la utilizaci&amp;oacute;n o cita de partes debe indicarse el nombre de la persona autora.&lt;/p&gt;</text>
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                <text>We have employed density functional theory to unravel the structural and electronic properties of sulfur and nitrogen dual-doped graphene. In the preferred configuration, the sulfur and nitrogen atoms replace the carbon atoms of a CC bond, but they are not bonded. Thus, the nitrogen atom adopts a pyridinic arrangement and the sulfur atom an edge like bonding pattern, since it is solely bonded to two carbon atoms. The formation energy determined for sulfur and nitrogen dual-doped graphene was 1.36 eV smaller than the sum of the formation energies (FE) of sulfur doped graphene and nitrogen doped graphene. There is a synergic effect between sulfur and nitrogen which lowers the FE as compared with separated doping. This particular arrangement of the dopants enhances the reactivity of the sheet. For example, it facilitates the addition of molecular oxygen to sulfur to form SO2 functionalities. In general, the introduction of sulfur and nitrogen opens a band gap as indicated by HSE calculations.</text>
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                <text>Computational and Theoretical Chemistry&amp;nbsp; v. 1049, 2014. -- p. 13-19</text>
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                <text>&lt;p align="LEFT"&gt;&lt;strong&gt;Informaci&amp;oacute;n sobre Derechos de Autor&lt;/strong&gt;&lt;/p&gt;&#13;
&lt;p&gt;(Por favor lea este aviso antes de abrir los documentos u objetos)&lt;/p&gt;&#13;
&lt;p&gt;&lt;strong&gt;La legislaci&amp;oacute;n uruguaya&lt;/strong&gt; protege el derecho de autor sobre toda creaci&amp;oacute;n literaria, cient&amp;iacute;fica o art&amp;iacute;stica, tanto en lo que tiene que ver con sus derechos morales, como en lo referente a los derechos patrimoniales con sujeci&amp;oacute;n a lo establecido por el derecho com&amp;uacute;n y las siguientes leyes&lt;/p&gt;&#13;
&lt;p&gt;(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)&lt;/p&gt;&#13;
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                <text>&lt;strong&gt;Theoretical characterization of the HSOH, H2SO and H2OS isomers&lt;/strong&gt;</text>
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                <text>The HSOH, H2SO and H2OS isomers have been investigated employing the CCSD(T) methodology and the cc-pV(X&amp;thorn;d)Z X&amp;frac14;3,4,5,6 basis sets. The anharmonic force fields have been calculated to predict the fundamental vibrational frequencies, rotational constants, vibration&amp;ndash;rotation corrections, anharmonic corrections to zero-point energies, and structural parameters. In addition to this, a spectroscopic characterization of the deuterated isomers D2SO and D2OS was performed. At the CCSD(T)/CBS limit and including corrections for scalar relativistic, spin orbit and core-valence correlation effects, the estimated enthalpies of formation are �28.1�1, �12.3�1, and 10.1�1 kcal/mol for HSOH, H2SO and H2OS, respectively. Finally, we discuss the problems faced during the extrapolation to the CBS limit of the properties investigated.</text>
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                <text>We have studied the potential-energy curves and the spectroscopic constants of the ground and low-lying excited states of NbC by employing the complete active space self-consistent field method with relativistic effective core potentials followed by multireference configuration-interaction calculations. We have identified 23 low-lying electronic states of NbC with different spin multiplicities and spatial symmetries within 40,000 cm(-1). At the multireference single and double configuration interaction level of theory the 2sigma+ and 2delta states are nearly degenerated, with the 2delta state located 187 cm(-1) lower than the 2sigma+ state. The estimated spin-orbit splitting for the 2delta state results in a 2delta(3/2) ground state and A 2sigma+ which is placed 650 cm(-1) above the ground state, in reasonable agreement with the experimental result, 831 cm(-1). Our computed spectroscopic constants are in good agreement with experimental values although our results differ from those of a previous density-functional investigation of the excited states of NbC, mainly due to the strong multiconfigurational character of NbC. In the present work we have not only suggested assignments for the observed states but also computed more electronic states that are yet to be observed experimentally.</text>
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