Examinando por Materia "water"
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Ítem ¿Conoces la historia de los servicios públicos de Medellín?(2020-12-01) Martinez Guerrero, Christian Alexander; Christian Alexander Martinez-Guerrero; López, Juan Carlos; Historia EmpresarialÍtem Contributions of intermolecular bonding and lubrication to the mechanical behavior of a natural armor(ELSEVIER SCI LTD, 2020-01-01) Jiang, H.; Ghods, S.; Weller, E.; Waddell, S.; Ossa, E.A.; Yang, F.; Arola, D.; Jiang, H.; Ghods, S.; Weller, E.; Waddell, S.; Ossa, E.A.; Yang, F.; Arola, D.; Universidad EAFIT. Departamento de Ingeniería de Producción; Materiales de IngenieríaAmong many dermal armors, fish scales have become a source of inspiration in the pursuit of “next-generation” structural materials. Although fish scales function in a hydrated environment, the role of water and intermolecular hydrogen bonding to their unique structural behavior has not been elucidated. Water molecules reside within and adjacent to the interpeptide locations of the collagen fibrils of the elasmodine and provide lubrication to the protein molecules during deformation. We evaluated the contributions of this lubrication and the intermolecular bonding to the mechanical behavior of elasmodine scales from the Black Carp (Mylopharyngodon piceus). Scales were exposed to polar solvents, followed by axial loading to failure and the deformation mechanisms were characterized via optical mechanics. Displacement of intermolecular water molecules by liquid polar solvents caused significant (p = 0.05) increases in stiffness, strength and toughness of the scales. Removal of this lubrication decreased the capacity for non-linear deformation and toughness, which results from the increased resistance to fibril rotations and sliding caused by molecular friction. The intermolecular lubrication is a key component of the “protecto-flexibility” of scales and these natural armors as a system; it can serve as an important component of biomimetic-driven designs for flexible armor systems. Statement of Significance: The natural armor of fish has become a topic of substantial scientific interest. Hydration is important to these materials as water molecules reside within the interpeptide locations of the collagen fibrils of the elasmodine and provide lubrication to the protein molecules during deformation. We explored the opportunity for tuning the mechanical behavior of scales as a model for next-generation engineering materials by adjusting the extent of hydrogen bonding with polar solvents and the corresponding interpeptide molecular lubrication. Removal of this lubrication decreased the capacity for non-linear deformation and toughness due to an increase in resistance to fibril rotations and sliding as imparted by molecular friction. We show that intermolecular lubrication is a key component of the “protecto-flexibility” of natural armors and it is an essential element of biomimetic approaches to develop flexible armor systems. © 2020 Acta Materialia Inc.Ítem De cuerpos impermanentes y reflejos de agua(Universidad EAFIT, 2024-08-23) Agudelo Saldarriaga, Irene; Montoya Restrepo, Nataly; Ocampo Marin, Luis Miguel; Universidad EAFITÍtem The electrochemical elimination of coliforms from water using BBD/Ti or graphite anodes: A comparative study(International Water Association Publishing, 2018-04-01) Gil Pavas, E.; Arbelaez, Paula Eliana; Medina, J.; Dobrosz-Gómez, I.; Angel Gomez-Garcia, Miguel; Universidad EAFIT. Departamento de Ingeniería de Procesos; Desarrollo y Diseño de ProcesosThe elimination of total and fecal coliforms, from raw surface water, was carried out by electrochemical oxidation using either boron doped diamond (BDD/Ti) or graphite (GP) anodes, in a chloride-free medium. The optimal values of the operation parameters, maximizing the coliform elimination percentage, were determined using statistical experimental design. The current density ( j: 2-20 mA/cm2), the conductivity (s: 500-900 µS/cm) and the anode materials (An) were considered as variables to perform the Box-Behnken experimental design together with the response surface methodology analysis for optimization. The statistical analysis indicated that, in the evaluated range, the disinfection efficiency increased with an increase in j and decreased with an increase in s. The following optimal conditions for the elimination of total and fecal coliforms were found: j: 10 mA/cm2, s: 500 µS/cm and BDD/Ti used as anode material. The BDD/Ti electrode let to achieve complete coliform elimination after ca. 20 min of reaction while the GP one needed ca. 27 min. In water treated with both BDD/Ti and GP anode, after 7 days, any coliforms growth was observed. As a result of the oxidation process, the total organic carbon and nitrite concentration decreased while nitrate concentration increased. © IWA Publishing 2018.Ítem The electrochemical elimination of coliforms from water using BBD/Ti or graphite anodes: A comparative study(International Water Association Publishing, 2018-04-01) Gil Pavas, E.; Arbelaez, Paula Eliana; Medina, J.; Dobrosz-Gómez, I.; Angel Gomez-Garcia, Miguel; Gil Pavas, E.; Arbelaez, Paula Eliana; Medina, J.; Dobrosz-Gómez, I.; Angel Gomez-Garcia, Miguel; Universidad EAFIT. Departamento de Ingeniería de Procesos; Procesos Ambientales (GIPAB)The elimination of total and fecal coliforms, from raw surface water, was carried out by electrochemical oxidation using either boron doped diamond (BDD/Ti) or graphite (GP) anodes, in a chloride-free medium. The optimal values of the operation parameters, maximizing the coliform elimination percentage, were determined using statistical experimental design. The current density ( j: 2-20 mA/cm2), the conductivity (s: 500-900 µS/cm) and the anode materials (An) were considered as variables to perform the Box-Behnken experimental design together with the response surface methodology analysis for optimization. The statistical analysis indicated that, in the evaluated range, the disinfection efficiency increased with an increase in j and decreased with an increase in s. The following optimal conditions for the elimination of total and fecal coliforms were found: j: 10 mA/cm2, s: 500 µS/cm and BDD/Ti used as anode material. The BDD/Ti electrode let to achieve complete coliform elimination after ca. 20 min of reaction while the GP one needed ca. 27 min. In water treated with both BDD/Ti and GP anode, after 7 days, any coliforms growth was observed. As a result of the oxidation process, the total organic carbon and nitrite concentration decreased while nitrate concentration increased. © IWA Publishing 2018.Ítem Hydrophobic meddling in small water clusters(SPRINGER, 2013-08-01) Hadad, C. Z.; Restrepo, Albeiro; Jenkins, Samantha; Ramirez, Frank; David, Jorge; Universidad EAFIT. Departamento de Ciencias Básicas; Electromagnetismo Aplicado (Gema)What would be the effects on the nature of hydrogen bonds, on the energies, and on the overall structural possibilities of replacing some hydrogen atoms by small hydrophobic groups in small water networks? Aiming at investigating this question, we performed an exhaustive search of the conformational space of the (Methanol)2(Water)3 representative model system, characterized the results, and made key comparative analysis with pentameric pure water clusters. The potential energy surface yielded a global minimum structural motif consisting of several puckered ring-like cyclic isomers very close in energy to each other. They are followed by other structural motifs, which, contrary to conventional belief, would also contribute to the properties of a macroscopic sample of this composition. We found that the C-H O interactions play a subordinate structural role and preferably accommodate to the established O-H O based structures. In comparison with the pure (H2O)5 case, we showed that (1) the same basic structural motifs and in a similar hierarchy energy order are obtained, but with a richer structural isomerism; (2) in general, the bonding is reinforced by the increase in the electrostatic and in the "degree of covalency" of the hydrogen-bonding components. Therefore, at least for this small cluster size, methyl groups slightly affect the structural isomerism and reinforce the hydrogen bonding. Additionally, we identified general factors of instability of the more unstable structures. © Springer-Verlag Berlin Heidelberg 2013.Ítem Microsolvation of dimethylphosphate: A molecular model for the interaction of cell membranes with water(ROYAL SOC CHEMISTRY, 2013-01-01) Ibargueen, Cesar; Manrique-Moreno, Marcela; Hadad, C. Z.; David, Jorge; Restrepo, Albeiro; Universidad EAFIT. Departamento de Ciencias Básicas; Electromagnetismo Aplicado (Gema)We present an exhaustive stochastic search of the quantum conformational spaces of the (CH3O)2PO2 - + nH 2O (n = 1,2,3) systems. We uncover structural, conformational and energetic features of the problem. As in the isolated species, clusters containing the gauche-gauche (gg) conformation of dimethylphosphate (DMP -) are energetically preferred, however, contributions from hydrated gauche-anti (ga) and anti-anti (aa) monomers cannot be neglected because such structures are quite common and because they are close in energy to those containing the gg monomer. At least seven distinct types of O?H-O-H contacts lead to DMP- ? water interactions that are always stabilizing, but not strong enough to induce significant changes in the geometries of either DMP- or water units. Our results lead us to postulate DMP- to be a suitable model to study explicit and detailed aspects of microsolvation of cell membranes. This journal is © 2013 the Owner Societies.Ítem Structural characterization of the (MeSH)4 potential energy surface(SPRINGER, 2013-05-01) Gomez, Sara; Guerra, Doris; David, Jorge; Restrepo, Albeiro; Universidad EAFIT. Departamento de Ciencias Básicas; Electromagnetismo Aplicado (Gema)A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrogenbonding networks according to calculations performed at the B3LYP/6-311++G* * andMP2/6-311++G* * levels. The geometric motifs observed are somewhat similar to those encountered for the methanol tetramer, but the interactions responsible for cluster stabilization are quite different in origin. Cluster stabilization is not related to the number of hydrogen bonds. Two distinct, well-defined types of hydrogen bonds scattered over a wide range of distances are predicted. © Springer-Verlag Berlin Heidelberg 2012.Ítem Structures, energies, and bonding in the water heptamer(AMER INST PHYSICS, 2013-07-28) Acelas, Nancy; Hincapie, Gina; Guerra, Doris; David, Jorge; Restrepo, Albeiro; Universidad EAFIT. Departamento de Ciencias Básicas; Electromagnetismo Aplicado (Gema)In this paper we report the geometries and properties of 38 distinct geometrical motifs located on the B3LYP/6-31+G(d), MP2/6-311++G(d, p) potential energy surfaces of the water heptamer. Binding energies of up to 45 kcal/mol are calculated. All motifs fall within 10 kcal/mol of the most stable conformation, with at least 13 structural patterns located no more than 3 kcal/mol above, leading to a very complex potential energy surface, populated by a multitude of motifs each one allowing large numbers of conformations. Cluster stability does not seem to be correlated with the number of hydrogen bonds. Compact structures are energetically favored by electronic energies with zero-point energy corrections, while more open structures are preferred when temperature and entropy are accounted for. The molecular interactions holding the clusters as discrete units lead to large binding energies but are not strong enough to cause significant changes in the geometries of the interacting monomers. Our results indicate that bonding in the water heptamers can be considered as largely non-shared interactions with contributions from intermediate character of increasing covalency. © 2013 AIP Publishing LLC.