<?xml version="1.0" encoding="UTF-8"?>
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<title>Planta Piloto Multipropósito (PlaPiMu) - Laboratorio de Servicios a la Industria y al Sistema Científico (LaSeISiC)</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/121844" rel="alternate"/>
<subtitle/>
<id>http://sedici.unlp.edu.ar:80/handle/10915/121844</id>
<updated>2026-10-29T23:10:23Z</updated>
<dc:date>2026-10-29T23:10:23Z</dc:date>
<entry>
<title>New NMR investigation of [RuF₅NO]²⁻ anion</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/151514" rel="alternate"/>
<author>
<name>Castañeda Trujillo, Lady Diana</name>
</author>
<author>
<name>Jios, Jorge Luis</name>
</author>
<author>
<name>Franca, Carlos Alberto</name>
</author>
<author>
<name>Güida, Jorge Alberto</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/151514</id>
<updated>2023-04-15T04:06:23Z</updated>
<published>2018-05-01T00:00:00Z</published>
<summary type="text">Articulo
Inorganica Chimica Acta; vol. 477
The ¹⁵N shift value is the main distinctive parameter to distinguish linear than angular MNO in transition metal nitrosyls by NMR spectroscopy. To get insight into the spectroscopic properties of a simple ruthenium-nitrosyl complex, the [RuF5NO]²⁻ anion, was reinvestigated. Their ¹⁵N and ¹⁹F nuclear magnetic resonance spectra (NMR) were analyzed and compared with the behavior observed for the geometrically related (C₄ᵥ) [Fe(CN)₅NO]²⁻ (¹⁵N and ¹³C enriched) ion. The different splitting and coupling constants observed in both systems were attributed to the small change in angles and atomic distances. These results highlight the sensitivity of this spectroscopy to detect small geometrical distortion in transition metal complexes. DFT calculations predicted for both systems, shifts and coupling constant values in good agreement with the experimental results. The chemical shifts and coupling constants parameters predicted by DFT calculations for both systems are in good agreement with experimental values.
</summary>
<dc:date>2018-05-01T00:00:00Z</dc:date>
<dc:description>The ¹⁵N shift value is the main distinctive parameter to distinguish linear than angular MNO in transition metal nitrosyls by NMR spectroscopy. To get insight into the spectroscopic properties of a simple ruthenium-nitrosyl complex, the [RuF5NO]²⁻ anion, was reinvestigated. Their ¹⁵N and ¹⁹F nuclear magnetic resonance spectra (NMR) were analyzed and compared with the behavior observed for the geometrically related (C₄ᵥ) [Fe(CN)₅NO]²⁻ (¹⁵N and ¹³C enriched) ion. The different splitting and coupling constants observed in both systems were attributed to the small change in angles and atomic distances. These results highlight the sensitivity of this spectroscopy to detect small geometrical distortion in transition metal complexes. DFT calculations predicted for both systems, shifts and coupling constant values in good agreement with the experimental results. The chemical shifts and coupling constants parameters predicted by DFT calculations for both systems are in good agreement with experimental values.</dc:description>
</entry>
<entry>
<title>The role of non-covalent interactions in some 2-trifluoromethylchromones in the solid state</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/148038" rel="alternate"/>
<author>
<name>Alcívar León, Christian David</name>
</author>
<author>
<name>Echeverría, Gustavo Alberto</name>
</author>
<author>
<name>Piro, Oscar Enrique</name>
</author>
<author>
<name>Ulic, Sonia Elizabeth</name>
</author>
<author>
<name>Jios, Jorge Luis</name>
</author>
<author>
<name>Pereañez, Jaime Andrés</name>
</author>
<author>
<name>Henao Castañeda, Isabel Cristina</name>
</author>
<author>
<name>Pérez, Hiram</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/148038</id>
<updated>2023-02-02T20:57:58Z</updated>
<published>2017-01-01T00:00:00Z</published>
<summary type="text">Articulo
New Journal of Chemistry; vol. 41, no. 23
The intermolecular interactions in the solid state and the spectroscopic vibrational, electronic and NMR properties of new 3-methyl-substituted-2-trifluoromethylchromone derivatives with –CN (1), –NO₂ (2), –OH (3) and –NH₂ (4) groups were discussed with the assistance of DFT calculations. The crystal structures of compounds 1–3 were determined by X-ray diffraction showing molecular ribbons for compounds 1 and 2, and dimers via O–H⋯O=C hydrogen bonds for 3. Hirshfeld surfaces and the corresponding fingerprint plots, as well as the electrostatic potentials mapped on the surfaces revealed C–H⋯O and C–H⋯F hydrogen bonds, and π⋯π stacking as the main cooperative driving forces for building supramolecular architectures in all compounds. The C–H⋯π and C=O⋯π interactions also contribute to stabilizing the crystal structures of 1 and 2. A further analysis of Hirshfeld surfaces was performed using the enrichment ratio as a new descriptor to determine the likelihood of chemical species to establish specific interactions in the molecular packing. The lattice energies of the crystal structures and several intermolecular contacts present in different molecular pairs were also quantified. Molecular docking studies showed the interaction of the title compounds with the catalytic site of PLA₂ (PDB code 2QOG) from &lt;i&gt;Crotalus durissus terrificus&lt;/i&gt;, and suggested that the investigated compounds could inhibit toxic effects of snake venom.
</summary>
<dc:date>2017-01-01T00:00:00Z</dc:date>
<dc:description>The intermolecular interactions in the solid state and the spectroscopic vibrational, electronic and NMR properties of new 3-methyl-substituted-2-trifluoromethylchromone derivatives with –CN (1), –NO₂ (2), –OH (3) and –NH₂ (4) groups were discussed with the assistance of DFT calculations. The crystal structures of compounds 1–3 were determined by X-ray diffraction showing molecular ribbons for compounds 1 and 2, and dimers via O–H⋯O=C hydrogen bonds for 3. Hirshfeld surfaces and the corresponding fingerprint plots, as well as the electrostatic potentials mapped on the surfaces revealed C–H⋯O and C–H⋯F hydrogen bonds, and π⋯π stacking as the main cooperative driving forces for building supramolecular architectures in all compounds. The C–H⋯π and C=O⋯π interactions also contribute to stabilizing the crystal structures of 1 and 2. A further analysis of Hirshfeld surfaces was performed using the enrichment ratio as a new descriptor to determine the likelihood of chemical species to establish specific interactions in the molecular packing. The lattice energies of the crystal structures and several intermolecular contacts present in different molecular pairs were also quantified. Molecular docking studies showed the interaction of the title compounds with the catalytic site of PLA₂ (PDB code 2QOG) from &lt;i&gt;Crotalus durissus terrificus&lt;/i&gt;, and suggested that the investigated compounds could inhibit toxic effects of snake venom.</dc:description>
</entry>
<entry>
<title>Pediatric Clinical Pharmacology Studies in Chagas Disease</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/138817" rel="alternate"/>
<author>
<name>Garcia Bournissen, Facundo</name>
</author>
<author>
<name>Altcheh, Jaime</name>
</author>
<author>
<name>Giglio, Norberto</name>
</author>
<author>
<name>Mastrantonio, Guido</name>
</author>
<author>
<name>Della Védova, Carlos Omar</name>
</author>
<author>
<name>Koren, Gideon</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/138817</id>
<updated>2022-07-04T20:05:25Z</updated>
<published>2009-01-01T00:00:00Z</published>
<summary type="text">Articulo
Paediatric drugs; vol. 11, no. 1
Chagas disease is a neglected parasitic disease endemic in the Americas. It mainly affects impoverished populations and the acute phase of the infection mostly affects children. Many cases have also been detected in nonendemic countries as a result of recent migratory trends. The chronic phase is relatively asymptomatic, but 30% of patients with chronic infection eventually develop cardiac and digestive complications that commonly lead to death or disability. Only two drugs are available for the treatment of Chagas disease, benznidazole and nifurtimox. These drugs have been shown to be effective in the treatment of both acute and early chronic phases in children, but the pharmacokinetics of these drugs have never been studied in this population. We have set out to conduct a pharmacokinetics study of benznidazole in a pediatric population with Chagas disease. The results of this study are expected to allow better estimation of the optimal doses and schedule of pharmacotherapy for Chagas disease in children.
</summary>
<dc:date>2009-01-01T00:00:00Z</dc:date>
<dc:description>Chagas disease is a neglected parasitic disease endemic in the Americas. It mainly affects impoverished populations and the acute phase of the infection mostly affects children. Many cases have also been detected in nonendemic countries as a result of recent migratory trends. The chronic phase is relatively asymptomatic, but 30% of patients with chronic infection eventually develop cardiac and digestive complications that commonly lead to death or disability. Only two drugs are available for the treatment of Chagas disease, benznidazole and nifurtimox. These drugs have been shown to be effective in the treatment of both acute and early chronic phases in children, but the pharmacokinetics of these drugs have never been studied in this population. We have set out to conduct a pharmacokinetics study of benznidazole in a pediatric population with Chagas disease. The results of this study are expected to allow better estimation of the optimal doses and schedule of pharmacotherapy for Chagas disease in children.</dc:description>
</entry>
<entry>
<title>Infrared and Raman studies on renal stones: the use of second derivative infrared spectra</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/137391" rel="alternate"/>
<author>
<name>Guerra López, José Rodolfo</name>
</author>
<author>
<name>Güida, Jorge Alberto</name>
</author>
<author>
<name>Della Védova, Carlos Omar</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/137391</id>
<updated>2022-06-06T20:05:32Z</updated>
<published>2010-10-01T00:00:00Z</published>
<summary type="text">Articulo
Urological Research; vol. 38, no. 5
Urolithiasis is a very frequent illness found in Argentina; however, stone analysis is not routinely performed. In this work, 86 renal calculi (from cities of Lujan and San Antonio de Areco, State of Buenos Aires, Argentina) have been analyzed by infrared and Raman spectroscopies, and the results correlated with the main possible pathological conditions. Calcium oxalate monohydrate (whewellite) and mixtures of calcium oxalate monohydrate and carbonate apatite were the most frequent compounds found in our samples. In order to improve the identification of different phases present in calculi [particularly whewellite and weddellite (calcium oxalate dihydrate)], the second derivative spectra were used. The FTIR spectroscopy together with the second derivative analysis provides the urologist with a good method for calculi component determinations.
</summary>
<dc:date>2010-10-01T00:00:00Z</dc:date>
<dc:description>Urolithiasis is a very frequent illness found in Argentina; however, stone analysis is not routinely performed. In this work, 86 renal calculi (from cities of Lujan and San Antonio de Areco, State of Buenos Aires, Argentina) have been analyzed by infrared and Raman spectroscopies, and the results correlated with the main possible pathological conditions. Calcium oxalate monohydrate (whewellite) and mixtures of calcium oxalate monohydrate and carbonate apatite were the most frequent compounds found in our samples. In order to improve the identification of different phases present in calculi [particularly whewellite and weddellite (calcium oxalate dihydrate)], the second derivative spectra were used. The FTIR spectroscopy together with the second derivative analysis provides the urologist with a good method for calculi component determinations.</dc:description>
</entry>
<entry>
<title>An analysis of the first steps of phenol adsorption-oxidation over coprecipitated Mn–Ce catalysts: a DRIFTS study</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/136851" rel="alternate"/>
<author>
<name>D'Alessandro, Oriana</name>
</author>
<author>
<name>Thomas, Horacio Jorge</name>
</author>
<author>
<name>Sambeth, Jorge Enrique</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/136851</id>
<updated>2022-05-25T04:04:12Z</updated>
<published>2012-12-01T00:00:00Z</published>
<summary type="text">Articulo
Reaction Kinetics, Mechanisms and Catalysis; vol. 107, no. 2
A series of Mn–Ce(M) solids (M = K or Na), with molar ratios 100–0, 50–50 and 0–100 were prepared by co-precipitation of manganese and cerium nitrate from NaOH or KOH solutions at pH = 11. In addition, part of the solids precipitated with NaOH were dried and impregnated with a Cu²⁺ salt. The solids were characterized by XRD, Specific Surface Area, XPS and EDS. The characterization analyses show the formation of Mn mixed oxides with different oxidation states (Mn³⁺, Mn⁴⁺), for samples without Ce or Mn–Ce(M) 50–50. In the latter solid and in the one where there is no Mn, the formation of CeO₂ (fluorite type) was detected. The samples were tested in the phenol removal in water at 100 °C and at atmospheric pressure with the aim to analyze the adsorbed species in the first stage of the adsorption-oxidation mechanisms. The results indicate, on the one hand, that [MnOₓ] is the active species in the process and that the most active solids are those that present (i) a higher concentration of O&lt;sub&gt;I&lt;/sub&gt;, (ii) a higher amount of Mn⁴⁺ ions. DRIFT spectroscopy showed a possible mechanism of phenol adsorption on two sites, in the first one by H interaction of OH (phenol) with an OH of the catalyst and in the second, by the formation of a phenolate species between an O (OH phenol) and Mnⁿ⁺.
</summary>
<dc:date>2012-12-01T00:00:00Z</dc:date>
<dc:description>A series of Mn–Ce(M) solids (M = K or Na), with molar ratios 100–0, 50–50 and 0–100 were prepared by co-precipitation of manganese and cerium nitrate from NaOH or KOH solutions at pH = 11. In addition, part of the solids precipitated with NaOH were dried and impregnated with a Cu²⁺ salt. The solids were characterized by XRD, Specific Surface Area, XPS and EDS. The characterization analyses show the formation of Mn mixed oxides with different oxidation states (Mn³⁺, Mn⁴⁺), for samples without Ce or Mn–Ce(M) 50–50. In the latter solid and in the one where there is no Mn, the formation of CeO₂ (fluorite type) was detected. The samples were tested in the phenol removal in water at 100 °C and at atmospheric pressure with the aim to analyze the adsorbed species in the first stage of the adsorption-oxidation mechanisms. The results indicate, on the one hand, that [MnOₓ] is the active species in the process and that the most active solids are those that present (i) a higher concentration of O&lt;sub&gt;I&lt;/sub&gt;, (ii) a higher amount of Mn⁴⁺ ions. DRIFT spectroscopy showed a possible mechanism of phenol adsorption on two sites, in the first one by H interaction of OH (phenol) with an OH of the catalyst and in the second, by the formation of a phenolate species between an O (OH phenol) and Mnⁿ⁺.</dc:description>
</entry>
<entry>
<title>Interpretation of the mechanism of acetylcholinesterase inhibition ability by organophosphorus compounds through a new conformational descriptor. an experimental and theoretical study</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/133545" rel="alternate"/>
<author>
<name>Mastrantonio Garrido, Guido Enrique</name>
</author>
<author>
<name>Mack, Hans-Georg</name>
</author>
<author>
<name>Della Védova, Carlos Omar</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/133545</id>
<updated>2022-03-31T04:04:32Z</updated>
<published>2008-09-01T00:00:00Z</published>
<summary type="text">Articulo
Journal of Molecular Modeling; vol. 14, no. 9
Organophosphorus pesticides are the most common classes involved in poisonings related to pesticides. We used inhibitory ability on enzymatic activity of acetylcholinesterase activity and molecular mechanics or &lt;i&gt;ab initio&lt;/i&gt; methods of molecular modelling to perform a theoretical approach of the enzyme interaction mechanism of these compounds. Kinetic values for strong and weak inhibitors were measured in a high amplitude range for affinity (Kₐ) and phosphorylation constants (Kₚ). To quantitatively describe the conformational behaviour of these molecules, conformational descriptors of free molecules were developed. Quantitative structure activity relationships (QSARs) were constructed with inhibition kinetic values and their molecular descriptors. The conformational descriptors show a high degree of correlation with the kinetic behaviour of these molecules. A positive correlation between the conformational freedom of the studied molecules with Kₐ is observed. This study allows us to reinterpret the organophosphorus cholinesterase inhibition mechanism and consequently the ‘thiono’ and ‘thiolo effect’ based on a global ‘chalcogen effect’.
</summary>
<dc:date>2008-09-01T00:00:00Z</dc:date>
<dc:description>Organophosphorus pesticides are the most common classes involved in poisonings related to pesticides. We used inhibitory ability on enzymatic activity of acetylcholinesterase activity and molecular mechanics or &lt;i&gt;ab initio&lt;/i&gt; methods of molecular modelling to perform a theoretical approach of the enzyme interaction mechanism of these compounds. Kinetic values for strong and weak inhibitors were measured in a high amplitude range for affinity (Kₐ) and phosphorylation constants (Kₚ). To quantitatively describe the conformational behaviour of these molecules, conformational descriptors of free molecules were developed. Quantitative structure activity relationships (QSARs) were constructed with inhibition kinetic values and their molecular descriptors. The conformational descriptors show a high degree of correlation with the kinetic behaviour of these molecules. A positive correlation between the conformational freedom of the studied molecules with Kₐ is observed. This study allows us to reinterpret the organophosphorus cholinesterase inhibition mechanism and consequently the ‘thiono’ and ‘thiolo effect’ based on a global ‘chalcogen effect’.</dc:description>
</entry>
<entry>
<title>One-pot synthesis of ferrocenyl-pyrimidones using a recyclable molibdosilicic H₄SiMo₁₂O₄₀ heteropolyacid</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/133037" rel="alternate"/>
<author>
<name>Jios, Jorge Luis</name>
</author>
<author>
<name>Metzler-Nolte, Nils</name>
</author>
<author>
<name>Vázquez, Patricia Graciela</name>
</author>
<author>
<name>Romanelli, Gustavo Pablo</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/133037</id>
<updated>2022-03-22T04:04:49Z</updated>
<published>2016-02-01T00:00:00Z</published>
<summary type="text">Articulo
Research on Chemical Intermediates; vol. 42, no. 2
A series of ferrocene-containing dihydropyrimidines (DHPs) were prepared by the one-pot Biginelli reaction of formylferrocene, 1,3-dicarbonyl component and urea/thiourea. The reaction was catalyzed by a commercial Keggin heteropolyacid (H₄SiMo₁₂O₄₀) as a safe, clean and recyclable catalyst. Three different synthetic protocols were examined in order to improve the yields of the reaction and to elucidate its mechanism. Intermediates of the competitive Knoevenagel reaction were also isolated. The methodology is operationally simple and provides access to highly substituted dihydropyrimidines containing ferrocene in very good yields. The catalyst can be used and recycled without appreciable loss of the catalytic activity.
</summary>
<dc:date>2016-02-01T00:00:00Z</dc:date>
<dc:description>A series of ferrocene-containing dihydropyrimidines (DHPs) were prepared by the one-pot Biginelli reaction of formylferrocene, 1,3-dicarbonyl component and urea/thiourea. The reaction was catalyzed by a commercial Keggin heteropolyacid (H₄SiMo₁₂O₄₀) as a safe, clean and recyclable catalyst. Three different synthetic protocols were examined in order to improve the yields of the reaction and to elucidate its mechanism. Intermediates of the competitive Knoevenagel reaction were also isolated. The methodology is operationally simple and provides access to highly substituted dihydropyrimidines containing ferrocene in very good yields. The catalyst can be used and recycled without appreciable loss of the catalytic activity.</dc:description>
</entry>
<entry>
<title>Identification of N-benzylacetamide as a major component of human plasmatic metabolic profiling of benznidazole</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/130827" rel="alternate"/>
<author>
<name>Marson, María Elena</name>
</author>
<author>
<name>Altcheh, Jaime</name>
</author>
<author>
<name>Moscatelli, Guillermo</name>
</author>
<author>
<name>Moroni, Samanta</name>
</author>
<author>
<name>Garcia-Bournissen, Facundo</name>
</author>
<author>
<name>Mastrantonio Garrido, Guido Enrique</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/130827</id>
<updated>2022-02-11T04:25:27Z</updated>
<published>2015-06-01T00:00:00Z</published>
<summary type="text">Articulo
European Journal of Drug Metabolism and Pharmacokinetics; vol. 40, no. 2
Chagas disease is an endemic infection in Latin America with a high health impact. Caused by the parasite &lt;i&gt;Trypanosoma cruzi&lt;/i&gt;, it has expanded to non-endemic regions such as North America and European countries via immigration of infected people. This infectious disease has been rising in the ranking of international health priorities due to the growing migration flows from endemic to non-endemic areas. Benznidazole (BZN), a nitroheterocyclic drug, is one of the two trypanocidal drugs currently in clinical use, associated with significant adverse drug reactions (ADRs). Mammalian metabolism of BNZ has been poorly studied, including the potential role of metabolites on both toxicity and anti-parasitic activity. High-resolution UPLC/MS/MS was used to analyze three plasma samples obtained from pediatric patients under BNZ treatment in steady state. Spectroscopic and structural criteria were applied to identify BNZ and accompanying substances from chromatographic signals. From all detected species, two can be undoubtedly associated with the BNZ and N-benzylacetamide molecules, the second one being a fragment of the parent drug (BZN). From the obtained results, two hypotheses could be formulated. The first one is to relate the presence of N-benzyl acetamide with the hepatic metabolism of BNZ. The second hypothesis has to do with the possible trypanocidal activity of this metabolite, as well as its role in the development of side effects, associated with the pharmacotherapy. Complementary studies should be carried out to determine the possible association of this metabolite with the BNZ treatment stages, patient's clinical features, ADRs, and trypanocidal effectiveness.
</summary>
<dc:date>2015-06-01T00:00:00Z</dc:date>
<dc:description>Chagas disease is an endemic infection in Latin America with a high health impact. Caused by the parasite &lt;i&gt;Trypanosoma cruzi&lt;/i&gt;, it has expanded to non-endemic regions such as North America and European countries via immigration of infected people. This infectious disease has been rising in the ranking of international health priorities due to the growing migration flows from endemic to non-endemic areas. Benznidazole (BZN), a nitroheterocyclic drug, is one of the two trypanocidal drugs currently in clinical use, associated with significant adverse drug reactions (ADRs). Mammalian metabolism of BNZ has been poorly studied, including the potential role of metabolites on both toxicity and anti-parasitic activity. High-resolution UPLC/MS/MS was used to analyze three plasma samples obtained from pediatric patients under BNZ treatment in steady state. Spectroscopic and structural criteria were applied to identify BNZ and accompanying substances from chromatographic signals. From all detected species, two can be undoubtedly associated with the BNZ and N-benzylacetamide molecules, the second one being a fragment of the parent drug (BZN). From the obtained results, two hypotheses could be formulated. The first one is to relate the presence of N-benzyl acetamide with the hepatic metabolism of BNZ. The second hypothesis has to do with the possible trypanocidal activity of this metabolite, as well as its role in the development of side effects, associated with the pharmacotherapy. Complementary studies should be carried out to determine the possible association of this metabolite with the BNZ treatment stages, patient's clinical features, ADRs, and trypanocidal effectiveness.</dc:description>
</entry>
<entry>
<title>Synthesis, structure, and biological assays of novel trifluoromethyldiazepine–metal complexes</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/127048" rel="alternate"/>
<author>
<name>Rocha, Mariana</name>
</author>
<author>
<name>Echeverría, Gustavo Alberto</name>
</author>
<author>
<name>Piro, Oscar Enrique</name>
</author>
<author>
<name>Jios, Jorge Luis</name>
</author>
<author>
<name>Molina, Rocío Daniela Inés</name>
</author>
<author>
<name>Arena, Mario Eduardo</name>
</author>
<author>
<name>Ulic, Sonia Elizabeth</name>
</author>
<author>
<name>Gil, Diego M.</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/127048</id>
<updated>2021-10-21T20:06:40Z</updated>
<published>2020-01-01T00:00:00Z</published>
<summary type="text">Articulo
Australian Journal of Chemistry; vol. 73, no. 1
A new series of Cu&lt;sup&gt;II&lt;/sup&gt;, Ni&lt;sup&gt;II&lt;/sup&gt;, Co&lt;sup&gt;II&lt;/sup&gt;, and Mn&lt;sup&gt;III&lt;/sup&gt; complexes have been synthesised from the (6Z)-6-(7-trifluoromethyl-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-ylidene)cyclohexa-2,4-dien-1-one (HDZP) ligand. These complexes were characterised by elemental, spectroscopic (IR and UV-vis), and thermal analysis. The crystal structure of Cu-DZP was solved by X-ray diffraction methods. The complex crystallises in the monoclinic P21/c space group, with two molecules per unit cell. The crystal lattice is stabilised by different intra and intermolecular interactions. Hirshfeld surface analysis was employed to obtain additional information about interactions that are responsible for the crystal packing. Quantitative examination of the fingerprint plots indicated the dominant contribution of H⋯H and H⋯X (X = O, F) interactions in the crystal packing. In addition, C–H⋯chelate ring (CR) and C–H⋯π interactions are described in detail and evaluated using DFT calculations. The antibacterial properties and the mechanism of inhibition of the main bacterial resistant mechanism, the biofilm, of the metal complexes and free ligand were investigated. [Mn(DZP)₃]·2H₂O was the most active complex against the Pseudomonas aeruginosa biofilm formation with an inhibition of 40 %. However, none of the complexes inhibit more than 25 % of the Gram negative bacteria microbial development. The most meaningful result was the bactericidal effect of [Co(DZP)₂(H₂O)₂]·2H₂O against the Gram positive bacteria, Staphylococcus aureus, which inhibits the bacterial development and significantly reduces the biofilm formation at low concentration.
</summary>
<dc:date>2020-01-01T00:00:00Z</dc:date>
<dc:description>A new series of Cu&lt;sup&gt;II&lt;/sup&gt;, Ni&lt;sup&gt;II&lt;/sup&gt;, Co&lt;sup&gt;II&lt;/sup&gt;, and Mn&lt;sup&gt;III&lt;/sup&gt; complexes have been synthesised from the (6Z)-6-(7-trifluoromethyl-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-ylidene)cyclohexa-2,4-dien-1-one (HDZP) ligand. These complexes were characterised by elemental, spectroscopic (IR and UV-vis), and thermal analysis. The crystal structure of Cu-DZP was solved by X-ray diffraction methods. The complex crystallises in the monoclinic P21/c space group, with two molecules per unit cell. The crystal lattice is stabilised by different intra and intermolecular interactions. Hirshfeld surface analysis was employed to obtain additional information about interactions that are responsible for the crystal packing. Quantitative examination of the fingerprint plots indicated the dominant contribution of H⋯H and H⋯X (X = O, F) interactions in the crystal packing. In addition, C–H⋯chelate ring (CR) and C–H⋯π interactions are described in detail and evaluated using DFT calculations. The antibacterial properties and the mechanism of inhibition of the main bacterial resistant mechanism, the biofilm, of the metal complexes and free ligand were investigated. [Mn(DZP)₃]·2H₂O was the most active complex against the Pseudomonas aeruginosa biofilm formation with an inhibition of 40 %. However, none of the complexes inhibit more than 25 % of the Gram negative bacteria microbial development. The most meaningful result was the bactericidal effect of [Co(DZP)₂(H₂O)₂]·2H₂O against the Gram positive bacteria, Staphylococcus aureus, which inhibits the bacterial development and significantly reduces the biofilm formation at low concentration.</dc:description>
</entry>
<entry>
<title>Negligible exposure to nifurtimox through breast milk during maternal treatment for Chagas Disease</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/126176" rel="alternate"/>
<author>
<name>Moroni, Samanta</name>
</author>
<author>
<name>Marson, María Elena</name>
</author>
<author>
<name>Moscatelli, Guillermo</name>
</author>
<author>
<name>Mastrantonio Garrido, Guido Enrique</name>
</author>
<author>
<name>Bisio, Margarita</name>
</author>
<author>
<name>González, Nicolás</name>
</author>
<author>
<name>Ballering, Griselda</name>
</author>
<author>
<name>Altcheh, Jaime</name>
</author>
<author>
<name>Garcia Bournissen, Facundo</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/126176</id>
<updated>2021-10-05T04:04:16Z</updated>
<published>2019-08-15T00:00:00Z</published>
<summary type="text">Articulo
PLOS Neglected Tropical Diseases; vol. 13, no. 8
Background: Treatment with nifurtimox (NF) for Chagas disease is discouraged during breast-feeding because no information on NF transfer into breast milk is available. NF is safe and effective for paediatric and adult Chagas disease. We evaluated the degree of NF transfer into breast milk in lactating women with Chagas disease.&#13;
Patients and methods: Prospective study of a cohort of lactating women with Chagas disease. Patients were treated with NF for 1 month. NF was measured in plasma and milk by high performance liquid chromatography (HPLC). Breastfed infants were evaluated at admission, 7th and 30th day of treatment (and monthly thereafter, for 6 months).&#13;
Results: Lactating women with chronic Chagas disease (N = 10) were enrolled (median age 28 years, range 17–36). Median NF dose was 9.75 mg/kg/day three times a day (TID). Six mothers had mild adverse drug reactions (ADRs), but no ADRs were observed in any of the breastfed infants. No interruption of breastfeeding was observed.&#13;
Median NF concentrations were 2.15 mg/L (Inter quartil range (IQR) 1.32–4.55) in milk and 0.30 mg/L (IQR 0.20–0.95) in plasma. Median NF milk/plasma ratio was 16 (range 8.75–30.25). Median relative infant NF dose (assuming a daily breastmilk intake of 150 mL/kg/day) was 6.7% of the maternal dose/kg/day (IQR 2.35–7.19%).&#13;
Conclusions: The low concentrations of NF in breast milk and the normal clinical evaluation of the breastfed babies imply that maternal NF treatment for Chagas disease during breastfeeding is unlikely to lead to clinically relevant exposures in the breastfed infants.
</summary>
<dc:date>2019-08-15T00:00:00Z</dc:date>
<dc:description>Background: Treatment with nifurtimox (NF) for Chagas disease is discouraged during breast-feeding because no information on NF transfer into breast milk is available. NF is safe and effective for paediatric and adult Chagas disease. We evaluated the degree of NF transfer into breast milk in lactating women with Chagas disease.&#13;
Patients and methods: Prospective study of a cohort of lactating women with Chagas disease. Patients were treated with NF for 1 month. NF was measured in plasma and milk by high performance liquid chromatography (HPLC). Breastfed infants were evaluated at admission, 7th and 30th day of treatment (and monthly thereafter, for 6 months).&#13;
Results: Lactating women with chronic Chagas disease (N = 10) were enrolled (median age 28 years, range 17–36). Median NF dose was 9.75 mg/kg/day three times a day (TID). Six mothers had mild adverse drug reactions (ADRs), but no ADRs were observed in any of the breastfed infants. No interruption of breastfeeding was observed.&#13;
Median NF concentrations were 2.15 mg/L (Inter quartil range (IQR) 1.32–4.55) in milk and 0.30 mg/L (IQR 0.20–0.95) in plasma. Median NF milk/plasma ratio was 16 (range 8.75–30.25). Median relative infant NF dose (assuming a daily breastmilk intake of 150 mL/kg/day) was 6.7% of the maternal dose/kg/day (IQR 2.35–7.19%).&#13;
Conclusions: The low concentrations of NF in breast milk and the normal clinical evaluation of the breastfed babies imply that maternal NF treatment for Chagas disease during breastfeeding is unlikely to lead to clinically relevant exposures in the breastfed infants.</dc:description>
</entry>
<entry>
<title>Crystal data for O=DZP</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/124104" rel="alternate"/>
<author>
<name>Rocha, Mariana</name>
</author>
<author>
<name>Gil, Diego Mauricio</name>
</author>
<author>
<name>Echeverría, Gustavo Alberto</name>
</author>
<author>
<name>Piro, Oscar Enrique</name>
</author>
<author>
<name>Jios, Jorge Luis</name>
</author>
<author>
<name>Ulic, Sonia Elizabeth</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/124104</id>
<updated>2023-04-27T15:09:32Z</updated>
<summary type="text">Conjunto de datos
https://sedici.unlp.edu.ar/handle/10915/124102
The Hirshfeld surface analysis is a well-known method to investigate in detail the characteristics of the crystal packing, such as polymorphism and other aspects of supramolecular assembly. Different functions describe specific properties of the Hirshfeld surface (d&lt;sub&gt;norm&lt;/sub&gt;, shape index, or curvedness) allowing for intuitive recognition and visual analysis of interactions between molecules. All distances to the Hirshfeld surface (d&lt;sub&gt;i&lt;/sub&gt; and dₑ) can be summarized in the form of two-dimensional diagrams (2D fingerprint plots), whose shapes are typical for certain close contacts environment. 2D fingerprint plots were used for decoding and quantifying the intermolecular interactions in the crystal lattice. Hirshfeld surfaces and their associated 2D fingerprint plots were performed using the CrystalExplorer17 program. The O=DZP structural parameters were taken from the CIF file. The 3D d&lt;sub&gt;norm&lt;/sub&gt; (normalized contact distance) surfaces were mapped over a fixed color scale of −0.135 au (red) to 0.460 au (blue). The 2D fingerprint plots were displayed by using the translated 0.6−2.6 Å range and including reciprocal contacts.&#13;
Quantum chemical calculations were performed using the Gaussian 03 program. The X-ray structure coordinates were used as starting parameters for geometry optimization at the B3LYP/6-311++G(d,p) level of theory. Vibrational frequencies were calculated to confirm the proper convergence to energy minima on the potential energy surface. The potential energy distribution was calculated with the VEDA4 program. For the electronic spectra, time-dependent density functional theory (TDDFT) method at B3LYP/6-311++G(d,p) approximation was used to compute energies and intensity of 20 lowest energy singlet to singlet electronic excitations in solution (ethanol and toluene) using PCM. NBO analysis, as implemented in the Gaussian 03 package, was performed at the B3LYP/6-311++G(d,p) level for the monomeric and for dimeric structures of the O=DZP molecule, in order to obtain second-order donor → acceptor interaction energies. The AIM2000 program was applied for the topological analysis of selected dimers identified from the crystal structure of O=DZP. To evaluate the nature of different intra- and intermolecular interactions, some topological parameters such as electron density (ρ), the Laplacian electron density (∇²ρ), local potential energy density (V), and kinetic energy density (G) at the bond critical points (BCPs) were calculated adopting the geometry of the crystal structure with normalized hydrogen positions at B3LYP/6-311++G(d,p) approximation. The energies of the intra- and intermolecular interactions were estimated using the formula proposed by Espinosa and coworkers. The molecular electrostatic potential (MEP) of the ketoenamine tautomeric form has also been calculated at the same level of theory.
</summary>
<dc:description>The Hirshfeld surface analysis is a well-known method to investigate in detail the characteristics of the crystal packing, such as polymorphism and other aspects of supramolecular assembly. Different functions describe specific properties of the Hirshfeld surface (d&lt;sub&gt;norm&lt;/sub&gt;, shape index, or curvedness) allowing for intuitive recognition and visual analysis of interactions between molecules. All distances to the Hirshfeld surface (d&lt;sub&gt;i&lt;/sub&gt; and dₑ) can be summarized in the form of two-dimensional diagrams (2D fingerprint plots), whose shapes are typical for certain close contacts environment. 2D fingerprint plots were used for decoding and quantifying the intermolecular interactions in the crystal lattice. Hirshfeld surfaces and their associated 2D fingerprint plots were performed using the CrystalExplorer17 program. The O=DZP structural parameters were taken from the CIF file. The 3D d&lt;sub&gt;norm&lt;/sub&gt; (normalized contact distance) surfaces were mapped over a fixed color scale of −0.135 au (red) to 0.460 au (blue). The 2D fingerprint plots were displayed by using the translated 0.6−2.6 Å range and including reciprocal contacts.&#13;
Quantum chemical calculations were performed using the Gaussian 03 program. The X-ray structure coordinates were used as starting parameters for geometry optimization at the B3LYP/6-311++G(d,p) level of theory. Vibrational frequencies were calculated to confirm the proper convergence to energy minima on the potential energy surface. The potential energy distribution was calculated with the VEDA4 program. For the electronic spectra, time-dependent density functional theory (TDDFT) method at B3LYP/6-311++G(d,p) approximation was used to compute energies and intensity of 20 lowest energy singlet to singlet electronic excitations in solution (ethanol and toluene) using PCM. NBO analysis, as implemented in the Gaussian 03 package, was performed at the B3LYP/6-311++G(d,p) level for the monomeric and for dimeric structures of the O=DZP molecule, in order to obtain second-order donor → acceptor interaction energies. The AIM2000 program was applied for the topological analysis of selected dimers identified from the crystal structure of O=DZP. To evaluate the nature of different intra- and intermolecular interactions, some topological parameters such as electron density (ρ), the Laplacian electron density (∇²ρ), local potential energy density (V), and kinetic energy density (G) at the bond critical points (BCPs) were calculated adopting the geometry of the crystal structure with normalized hydrogen positions at B3LYP/6-311++G(d,p) approximation. The energies of the intra- and intermolecular interactions were estimated using the formula proposed by Espinosa and coworkers. The molecular electrostatic potential (MEP) of the ketoenamine tautomeric form has also been calculated at the same level of theory.</dc:description>
</entry>
<entry>
<title>Enol-imino−Keto-enamine Tautomerism in a Diazepine Derivative: How Decisive Are the Intermolecular Interactions in the Equilibrium?</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/124102" rel="alternate"/>
<author>
<name>Rocha, Mariana</name>
</author>
<author>
<name>Gil, Diego Mauricio</name>
</author>
<author>
<name>Echeverría, Gustavo Alberto</name>
</author>
<author>
<name>Piro, Oscar Enrique</name>
</author>
<author>
<name>Jios, Jorge Luis</name>
</author>
<author>
<name>Ulic, Sonia Elizabeth</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/124102</id>
<updated>2021-09-03T20:07:14Z</updated>
<published>2019-08-01T00:00:00Z</published>
<summary type="text">Articulo
The Journal of Organic Chemistry; vol. 84, no. 17; https://sedici.unlp.edu.ar/handle/10915/124104
The strange tautomeric equilibrium behavior exhibited by a new o-hydroxyphenyl diazepine derivative when the compound is analyzed both in solution and solid state opens the structural study of the enol-imino-keto-enamine forms and the influence of the intermolecular interactions in their equilibrium. The expected enol-imino form, in which the enol is part of a phenyl system and a strong O-H···N intramolecular hydrogen bond is established, results the most stable tautomer in gas phase (theoretical calculations) and was detected by NMR spectroscopy when the compound was dissolved in aprotic solvents. Nevertheless, the keto-enamine form, in which the keto group integrates a cyclohexadienone moiety and the aromaticity of the phenol is lost, was the only tautomer in the crystal lattice according to single-crystal X-ray diffraction, vibrational spectroscopy, and diffuse reflectance results. The last form was also found as the main tautomer in UV-vis and NMR spectroscopy when a protic solvent was employed.
Puede accederse a los datos primarios de este trabajo haciendo clic en "Documentos relacionados".
</summary>
<dc:date>2019-08-01T00:00:00Z</dc:date>
<dc:description>The strange tautomeric equilibrium behavior exhibited by a new o-hydroxyphenyl diazepine derivative when the compound is analyzed both in solution and solid state opens the structural study of the enol-imino-keto-enamine forms and the influence of the intermolecular interactions in their equilibrium. The expected enol-imino form, in which the enol is part of a phenyl system and a strong O-H···N intramolecular hydrogen bond is established, results the most stable tautomer in gas phase (theoretical calculations) and was detected by NMR spectroscopy when the compound was dissolved in aprotic solvents. Nevertheless, the keto-enamine form, in which the keto group integrates a cyclohexadienone moiety and the aromaticity of the phenol is lost, was the only tautomer in the crystal lattice according to single-crystal X-ray diffraction, vibrational spectroscopy, and diffuse reflectance results. The last form was also found as the main tautomer in UV-vis and NMR spectroscopy when a protic solvent was employed.</dc:description>
</entry>
<entry>
<title>Estudio por FTIR de la oxidación de etanol y tolueno sobre óxidos de ZnMnO recuperados de pilas alcalinas</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/122608" rel="alternate"/>
<author>
<name>Gallegos, María Victoria</name>
</author>
<author>
<name>Peluso, Miguel Andrés</name>
</author>
<author>
<name>Finocchio, Elisabetta</name>
</author>
<author>
<name>Thomas, Horacio Jorge</name>
</author>
<author>
<name>Busca, Guido</name>
</author>
<author>
<name>Sambeth, Jorge Enrique</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/122608</id>
<updated>2021-08-13T04:03:59Z</updated>
<published>2015-01-01T00:00:00Z</published>
<summary type="text">Objeto de conferencia
XIX Congreso Argentino de Catálisis y VIII Congreso de Catálisis del Mercosur (Bahía Blanca, 21 al 23 de septiembre de 2015)
Los barros extraídos de pilas alcalinas fueron lixiviados en medio ácido con la finalidad de recuperar los metales constituyentes, Zn y Mn. La solución lixiviada fue tratada con Na(OH) o con KMnO₄ obteniéndose dos óxidos ZnMnOₓ y MnOₓ, respectivamente. Una porción del MnOₓ obtenido fue impregnada con una solución de Zn²⁺ proveniente de la solución lixiviada usando dos métodos de impregnación diferentes (Zn/MnOxA y Zn/MnOxB). Los sólidos fueron caracterizados por FTIR, DRX, Superficie Específica BET, SEM-EDS. Tolueno y etanol fueron las moléculas test utilizadas para evaluar la actividad catalítica de los sólidos. Los resultados de la actividad catalítica muestran que esta disminuye cuando aumenta el contenido de zinc. En la reacción en flujo en ambos catalizadores se determinó la formación de acetaldehído. El análisis FTIR se detectó en todos los catalizadores a temperaturas superiores a 200 ºC acetaldehído (bandas 1750 – 1766 cm⁻¹; 2710 – 2750 cm⁻¹). En lo catalizadores impregnados con Zn, por FTIR, se observa una banda que es atribuida a CO. En el caso del tolueno puede verse que la combustión produce CO2, sin formar especies intermediarias en los catalizadores MnOₓ, ZnMnO y Zn/MnOₓB. En el sólido Zn/MnOₓA se propone que el tolueno se adsorbe a baja temperatura y se desorbe con el aumento de la misma.; Sludge extracted from alkaline batteries was leached in an acid medium in order to obtain Zn and Mn. The leach solution was treated with Na (OH) or with KMnO₄ obtaining ZnMnO and MnOₓ. A portion of MnOₓ was impregnated with a solution of Zn2+ from the leach solution using two different methods (Zn/MnOxA y Zn/MnOxB). The solids were characterized by FTIR, XRD, BET Specific Surface, SEM-EDS. Toluene and ethanol molecules test were used to evaluate the catalytic activity of the solids. Results show that the catalytic activity decreases with increasing zinc content. In all the catalysts was detected the presence of acetaldehyde. The FTIR study shown at temperatures above 200 °C in all the catalysts bands at 1750 – 1766 cm⁻¹; 2710 – 2750 cm⁻¹ which are assigned to acetaldehyde. In addition, CO was detected on on both Zn/MnOxA y Zn/MnOxB catalysts by FTIR. For the oxidation of toluene CO2 is formed on MnOₓ, ZnMnO and Zn/MnOₓB catalysts. The toluene is adsorbed on Zn/MnOₓA, but the same is desorbed by increasing the temperature.
</summary>
<dc:date>2015-01-01T00:00:00Z</dc:date>
<dc:description>Los barros extraídos de pilas alcalinas fueron lixiviados en medio ácido con la finalidad de recuperar los metales constituyentes, Zn y Mn. La solución lixiviada fue tratada con Na(OH) o con KMnO₄ obteniéndose dos óxidos ZnMnOₓ y MnOₓ, respectivamente. Una porción del MnOₓ obtenido fue impregnada con una solución de Zn²⁺ proveniente de la solución lixiviada usando dos métodos de impregnación diferentes (Zn/MnOxA y Zn/MnOxB). Los sólidos fueron caracterizados por FTIR, DRX, Superficie Específica BET, SEM-EDS. Tolueno y etanol fueron las moléculas test utilizadas para evaluar la actividad catalítica de los sólidos. Los resultados de la actividad catalítica muestran que esta disminuye cuando aumenta el contenido de zinc. En la reacción en flujo en ambos catalizadores se determinó la formación de acetaldehído. El análisis FTIR se detectó en todos los catalizadores a temperaturas superiores a 200 ºC acetaldehído (bandas 1750 – 1766 cm⁻¹; 2710 – 2750 cm⁻¹). En lo catalizadores impregnados con Zn, por FTIR, se observa una banda que es atribuida a CO. En el caso del tolueno puede verse que la combustión produce CO2, sin formar especies intermediarias en los catalizadores MnOₓ, ZnMnO y Zn/MnOₓB. En el sólido Zn/MnOₓA se propone que el tolueno se adsorbe a baja temperatura y se desorbe con el aumento de la misma.

Sludge extracted from alkaline batteries was leached in an acid medium in order to obtain Zn and Mn. The leach solution was treated with Na (OH) or with KMnO₄ obtaining ZnMnO and MnOₓ. A portion of MnOₓ was impregnated with a solution of Zn2+ from the leach solution using two different methods (Zn/MnOxA y Zn/MnOxB). The solids were characterized by FTIR, XRD, BET Specific Surface, SEM-EDS. Toluene and ethanol molecules test were used to evaluate the catalytic activity of the solids. Results show that the catalytic activity decreases with increasing zinc content. In all the catalysts was detected the presence of acetaldehyde. The FTIR study shown at temperatures above 200 °C in all the catalysts bands at 1750 – 1766 cm⁻¹; 2710 – 2750 cm⁻¹ which are assigned to acetaldehyde. In addition, CO was detected on on both Zn/MnOxA y Zn/MnOxB catalysts by FTIR. For the oxidation of toluene CO2 is formed on MnOₓ, ZnMnO and Zn/MnOₓB catalysts. The toluene is adsorbed on Zn/MnOₓA, but the same is desorbed by increasing the temperature.</dc:description>
</entry>
<entry>
<title>Adsorción de Pb²⁺ y Cu²⁺ en agua sobre óxidos de manganeso recuperados de pilas agotadas</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/122606" rel="alternate"/>
<author>
<name>Larraburu, Mariana</name>
</author>
<author>
<name>Colman Lerner, Jorge Esteban</name>
</author>
<author>
<name>Peluso, Miguel Andrés</name>
</author>
<author>
<name>Sambeth, Jorge Enrique</name>
</author>
<author>
<name>Thomas, Horacio Jorge</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/122606</id>
<updated>2021-08-13T04:04:04Z</updated>
<published>2015-01-01T00:00:00Z</published>
<summary type="text">Objeto de conferencia
XIX Congreso Argentino de Catálisis y VIII Congreso de Catálisis del Mercosur (Bahía Blanca, 21 al 23 de septiembre de 2015)
Los barros extraídos de pilas alcalinas fueron lixiviados en medio ácido con la finalidad de recuperar los metales constituyentes, Zn y Mn. La solución lixiviada fue tratada con KMnO₄ obteniéndose un oxido de manganeso, el cual fue calcinado a 150 (MnOx-150) y 600 ºC (MnOx-600). Los sólidos fueron caracterizados por DRX, Superficie Específica BET, SEM-EDS. Se realizaron ensayos de adsorción de Pb²⁺ y Cu²⁺ en agua sobre los dos óxidos de manganeso, utilizando diferentes concentraciones de metales: 25, 50, 100 y 200 mg/L. Se tomaron muestras a 5, 10, 20, 30, 60 y 120 minutos. Los resultados muestran que la adsorción ocurre dos etapas, una rápida y otra lenta. La adsorción de Pb²⁺ en todos los casos fue ampliamente superior a la adsorción de Cu²⁺. El óxido MnOx-150 presenta mayor superficie específica que el sólido MnOx-600, sin embargo, no siempre su capacidad de adsorción es mayor, lo que implica que el mecanismo de adsorción no solo debe contemplar la adsorción del metal en la superficie del adsorbente. Los óxidos reciclados de las pilas pueden ser utilizados como adsorbentes para la eliminación de Pb²⁺ en aguas.; Sludge extracted from alkaline batteries were leached in an acid medium in order to recover the constituents metals, Zn and Mn. The leach solution was treated with KMnO₄ to give a manganese oxide, which was calcined at 150 ºC (MnOx-150) and 600 ° C (MnOx-600). The solids were characterized by XRD, BET Specific Surface and SEM-EDS. Adsorption tests of Pb²⁺ and Cu²⁺ in water on the two oxides of manganese were carried out using different metal concentrations: 25, 50, 100 and 200 mg / L. Samples were taken at 5, 10, 20, 30, 60 and 120 minutes. The results show that the adsorption occurs in two stages, an initial fast stage and a slow one. Pb2 adsorption in all cases was vastly superior to that of Cu²⁺adsorption The MnOx-150 oxide has greater specific surface than the solid MnOx-600, however, not always its adsorption capacity is greater, meaning that the adsorption mechanism should not only consider the metal adsorption on the adsorbent surface. Manganese oxides obtained from spent batteries can be used as an effective adsorbents for the removal of Pb²⁺ in water.
</summary>
<dc:date>2015-01-01T00:00:00Z</dc:date>
<dc:description>Los barros extraídos de pilas alcalinas fueron lixiviados en medio ácido con la finalidad de recuperar los metales constituyentes, Zn y Mn. La solución lixiviada fue tratada con KMnO₄ obteniéndose un oxido de manganeso, el cual fue calcinado a 150 (MnOx-150) y 600 ºC (MnOx-600). Los sólidos fueron caracterizados por DRX, Superficie Específica BET, SEM-EDS. Se realizaron ensayos de adsorción de Pb²⁺ y Cu²⁺ en agua sobre los dos óxidos de manganeso, utilizando diferentes concentraciones de metales: 25, 50, 100 y 200 mg/L. Se tomaron muestras a 5, 10, 20, 30, 60 y 120 minutos. Los resultados muestran que la adsorción ocurre dos etapas, una rápida y otra lenta. La adsorción de Pb²⁺ en todos los casos fue ampliamente superior a la adsorción de Cu²⁺. El óxido MnOx-150 presenta mayor superficie específica que el sólido MnOx-600, sin embargo, no siempre su capacidad de adsorción es mayor, lo que implica que el mecanismo de adsorción no solo debe contemplar la adsorción del metal en la superficie del adsorbente. Los óxidos reciclados de las pilas pueden ser utilizados como adsorbentes para la eliminación de Pb²⁺ en aguas.

Sludge extracted from alkaline batteries were leached in an acid medium in order to recover the constituents metals, Zn and Mn. The leach solution was treated with KMnO₄ to give a manganese oxide, which was calcined at 150 ºC (MnOx-150) and 600 ° C (MnOx-600). The solids were characterized by XRD, BET Specific Surface and SEM-EDS. Adsorption tests of Pb²⁺ and Cu²⁺ in water on the two oxides of manganese were carried out using different metal concentrations: 25, 50, 100 and 200 mg / L. Samples were taken at 5, 10, 20, 30, 60 and 120 minutes. The results show that the adsorption occurs in two stages, an initial fast stage and a slow one. Pb2 adsorption in all cases was vastly superior to that of Cu²⁺adsorption The MnOx-150 oxide has greater specific surface than the solid MnOx-600, however, not always its adsorption capacity is greater, meaning that the adsorption mechanism should not only consider the metal adsorption on the adsorbent surface. Manganese oxides obtained from spent batteries can be used as an effective adsorbents for the removal of Pb²⁺ in water.</dc:description>
</entry>
<entry>
<title>Presence of benznidazole conjugated metabolites in urine identified by β-glucuronidase treatment</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/121849" rel="alternate"/>
<author>
<name>Marson, María Elena</name>
</author>
<author>
<name>García Bournissen, Facundo</name>
</author>
<author>
<name>Altcheh, Jaime</name>
</author>
<author>
<name>Moscatelli, Guillermo</name>
</author>
<author>
<name>Moroni, Samantha</name>
</author>
<author>
<name>Mastrantonio Garrido, Guido Enrique</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/121849</id>
<updated>2021-07-16T20:06:30Z</updated>
<published>2020-01-01T00:00:00Z</published>
<summary type="text">Articulo
Brazilian Journal of Pharmaceutical Sciences; vol. 56
Chagas disease is a serious public health problem in Latin America and, due to migration, in other nonendemic regions. Benznidazole (BNZ) is first choice drug in pediatric therapeutics. However, little is known regarding its metabolism in humans. The aim of the study was to isolate and identify products of human BZN metabolism in urine samples obtained from a pediatric Chagas patient and a healthy adult volunteer both treated with BZN. Urine samples were collected after dose of BNZ. Urine was treated with β-glucuronidase followed by an extraction procedure under two different pH conditions and a HPLC/UV and MS/MS identification of BZN and its metabolites. BZN (m/z 260.09847) was identified in all urine extracts. Peaks from each extracted chromatograms were selected for MS and MS/MS identification. Three compounds structurally related to BZN were identified: BZN-Na+ (m/z 283.08009), N-amine-BZN (m/z 230.12307) and N-hydroxi-amine-BZN (m/z 246.11702). BNZ-Na+ was identified in all extracts, but N-amine-BZN and N-hydroxi-amine-BZN were only observed in those extracts treated with β-glucuronidase. This is the first experimental report showing elimination of BZN N-reduced metabolites in urine. As they were released after treatment with β-glucuronidase it can be suggested that glucuronization plays a role in BNZ metabolism and renal elimination.
</summary>
<dc:date>2020-01-01T00:00:00Z</dc:date>
<dc:description>Chagas disease is a serious public health problem in Latin America and, due to migration, in other nonendemic regions. Benznidazole (BNZ) is first choice drug in pediatric therapeutics. However, little is known regarding its metabolism in humans. The aim of the study was to isolate and identify products of human BZN metabolism in urine samples obtained from a pediatric Chagas patient and a healthy adult volunteer both treated with BZN. Urine samples were collected after dose of BNZ. Urine was treated with β-glucuronidase followed by an extraction procedure under two different pH conditions and a HPLC/UV and MS/MS identification of BZN and its metabolites. BZN (m/z 260.09847) was identified in all urine extracts. Peaks from each extracted chromatograms were selected for MS and MS/MS identification. Three compounds structurally related to BZN were identified: BZN-Na+ (m/z 283.08009), N-amine-BZN (m/z 230.12307) and N-hydroxi-amine-BZN (m/z 246.11702). BNZ-Na+ was identified in all extracts, but N-amine-BZN and N-hydroxi-amine-BZN were only observed in those extracts treated with β-glucuronidase. This is the first experimental report showing elimination of BZN N-reduced metabolites in urine. As they were released after treatment with β-glucuronidase it can be suggested that glucuronization plays a role in BNZ metabolism and renal elimination.</dc:description>
</entry>
<entry>
<title>Desarrollo de catalizadores a partir de metales recuperados de pilas</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/51177" rel="alternate"/>
<author>
<name>Gallegos, María Victoria</name>
</author>
<author>
<name>Peluso, Miguel Andrés</name>
</author>
<author>
<name>Thomas, Horacio Jorge</name>
</author>
<author>
<name>Sambeth, Jorge Enrique</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/51177</id>
<updated>2020-08-19T18:19:32Z</updated>
<published>2015-12-01T00:00:00Z</published>
<summary type="text">Comunicacion
III Jornadas de Investigación del CINDECA (La Plata, 13-14 de octubre 2015); Investigación Joven; vol. 2, no. 2
Se recuperaron Zn y Mn provenientes de pilas alcalinas por lixiviación en medio ácido, tratándose la solución con NaOH o con KMnO&lt;sub&gt;4&lt;/sub&gt; obteniéndose dos óxidos ZnMnO&lt;sub&gt;x&lt;/sub&gt; y MnO&lt;sub&gt;x&lt;/sub&gt;, respectivamente, siendo una porción del MnOx obtenido impregnado con una solución de Zn&lt;sub&gt;2+&lt;/sub&gt; proveniente de la solución lixiviada. Los sólidos fueron caracterizados y fue analizada su actividad catalítica en la oxidación total de tolueno y etanol.
</summary>
<dc:date>2015-12-01T00:00:00Z</dc:date>
<dc:description>Se recuperaron Zn y Mn provenientes de pilas alcalinas por lixiviación en medio ácido, tratándose la solución con NaOH o con KMnO&lt;sub&gt;4&lt;/sub&gt; obteniéndose dos óxidos ZnMnO&lt;sub&gt;x&lt;/sub&gt; y MnO&lt;sub&gt;x&lt;/sub&gt;, respectivamente, siendo una porción del MnOx obtenido impregnado con una solución de Zn&lt;sub&gt;2+&lt;/sub&gt; proveniente de la solución lixiviada. Los sólidos fueron caracterizados y fue analizada su actividad catalítica en la oxidación total de tolueno y etanol.</dc:description>
</entry>
<entry>
<title>Diseño tecnológico dirigido a la eliminación de arsénico en aguas subterráneas de zonas rurales</title>
<link href="http://sedici.unlp.edu.ar:80/handle/10915/26534" rel="alternate"/>
<author>
<name>González, María J.</name>
</author>
<author>
<name>Thomas, Horacio J.</name>
</author>
<author>
<name>Schalamuk, Isidoro Bernardo</name>
</author>
<author>
<name>Botto, Irma Lía</name>
</author>
<author>
<name>Soto, Edgardo L.</name>
</author>
<id>http://sedici.unlp.edu.ar:80/handle/10915/26534</id>
<updated>2018-11-22T04:03:30Z</updated>
<published>2013-05-02T00:00:00Z</published>
<summary type="text">Objeto de conferencia
Technological design for arsenic removal from groundwater in rural areas
VII Congreso de Medio Ambiente
En el marco de un proyecto general dirigido al tratamiento de aguas subterráneas para consumo, conteniendo valores de arsénico superiores a los establecidos por la OMS (10 μg.l-1), se ha abordado, entre los Centros e Institutos de la Universidad Nacional de La Plata Planta Piloto Multipropósito (PLAPIMU CICPBA), Centro de Química Inorgánica (CEQUINOR CONICET CCT La Plata) e Instituto de Recursos Minerales (INREMI CICPBA), el diseño de una tecnología de procesamiento de aguas para ser instalada en zonas rurales y peri-urbanas, carentes de aguas de red. Se ha logrado la construcción de equipos de tratamiento de tipo discontinuo, de simple construcción y facilidad operativa, en base a las condiciones locales (particularmente condiciones fisicoquímicas de las aguas). El proceso, que permite trabajar con volúmenes de entre 2000 y 4000 litros de agua /etapa, se basa en el empleo de adsorbentes minerales de bajo costo y amplia distribución en la provincia de Buenos Aires. Habiéndose instalado hasta el presente tres plantas en escuelas de zonas rurales de la Provincia de Buenos Aires (por acuerdo con CICPBA y Dirección Gral de Escuelas PBA), y estando en etapa de construcción una planta en la Escuela Inchausti (UNLP) sita en 25 de Mayo, asegurando la provisión de agua en los establecimientos educativos y poblaciones cercanas, en esta comunicación se reportan datos técnicos relativos al funcionamiento y parámetros operacionales de las plantas. Cabe mencionar que el primer prototipo instalado lleva más de 2 años de uso continuo sin recambio de la carga de adsorbente, habiendo procesado 400 mil litros de agua cuya concentración original de As, del orden de las 200 μg.l-1, llega a valores de 10 μg.l-1.; The design, construction and installation of water processing technology that is useful in rural and peri-urban zones where there is no drinking water are reported in this paper. This work is part of a general project carried out by UNLP research centers and institutes (PLAPIMU CICPBA, CEQUINOR CCT La Plata and INREMI CICPBA) to provide water in rural towns with an arsenic value according to the guideline value of WHO (10 μg.l-1 ). The adsorbent is a low-cost and abundant Fe-rich clay mineral in Buenos Aires Province (PBA). Three treatment plants have been installed in schools of Buenos Aires province rural areas with the support of CICPBA-PBA. The local conditions of water (particularly physicochemical properties) have been taken into account to adapt the process. The equipment is simple regarding its construction and operation with different volumes (between 2000 and 4000 liters) of water / stage. A new plant will be installed in Inchausti School (UNLP) in 25 de Mayo, which ensures water provision for the school and the nearby towns. The first prototype was installed two years ago and the adsorbent has not been changed since then. Its production is close to 400.000 liters of water with 200 μg.l-1 arsenic, leading to values lower than 10 μg.l-1 .In this communication some technical data are reported.
</summary>
<dc:date>2013-05-02T00:00:00Z</dc:date>
<dc:description>En el marco de un proyecto general dirigido al tratamiento de aguas subterráneas para consumo, conteniendo valores de arsénico superiores a los establecidos por la OMS (10 μg.l-1), se ha abordado, entre los Centros e Institutos de la Universidad Nacional de La Plata Planta Piloto Multipropósito (PLAPIMU CICPBA), Centro de Química Inorgánica (CEQUINOR CONICET CCT La Plata) e Instituto de Recursos Minerales (INREMI CICPBA), el diseño de una tecnología de procesamiento de aguas para ser instalada en zonas rurales y peri-urbanas, carentes de aguas de red. Se ha logrado la construcción de equipos de tratamiento de tipo discontinuo, de simple construcción y facilidad operativa, en base a las condiciones locales (particularmente condiciones fisicoquímicas de las aguas). El proceso, que permite trabajar con volúmenes de entre 2000 y 4000 litros de agua /etapa, se basa en el empleo de adsorbentes minerales de bajo costo y amplia distribución en la provincia de Buenos Aires. Habiéndose instalado hasta el presente tres plantas en escuelas de zonas rurales de la Provincia de Buenos Aires (por acuerdo con CICPBA y Dirección Gral de Escuelas PBA), y estando en etapa de construcción una planta en la Escuela Inchausti (UNLP) sita en 25 de Mayo, asegurando la provisión de agua en los establecimientos educativos y poblaciones cercanas, en esta comunicación se reportan datos técnicos relativos al funcionamiento y parámetros operacionales de las plantas. Cabe mencionar que el primer prototipo instalado lleva más de 2 años de uso continuo sin recambio de la carga de adsorbente, habiendo procesado 400 mil litros de agua cuya concentración original de As, del orden de las 200 μg.l-1, llega a valores de 10 μg.l-1.

The design, construction and installation of water processing technology that is useful in rural and peri-urban zones where there is no drinking water are reported in this paper. This work is part of a general project carried out by UNLP research centers and institutes (PLAPIMU CICPBA, CEQUINOR CCT La Plata and INREMI CICPBA) to provide water in rural towns with an arsenic value according to the guideline value of WHO (10 μg.l-1 ). The adsorbent is a low-cost and abundant Fe-rich clay mineral in Buenos Aires Province (PBA). Three treatment plants have been installed in schools of Buenos Aires province rural areas with the support of CICPBA-PBA. The local conditions of water (particularly physicochemical properties) have been taken into account to adapt the process. The equipment is simple regarding its construction and operation with different volumes (between 2000 and 4000 liters) of water / stage. A new plant will be installed in Inchausti School (UNLP) in 25 de Mayo, which ensures water provision for the school and the nearby towns. The first prototype was installed two years ago and the adsorbent has not been changed since then. Its production is close to 400.000 liters of water with 200 μg.l-1 arsenic, leading to values lower than 10 μg.l-1 .In this communication some technical data are reported.</dc:description>
</entry>
</feed>
