Papers by Keyword: Molecular Interactions

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Authors: Selvi C. Senthamil, S. Ravichandran, C.P. Malliga, C. Thenmozhi, V. Kannappan
Abstract: Ultrasonic velocity and density of salicilaldehyde with iodine in hexane has been measured at 293.15K, 298.15K, 303.15K and 308.15K in different concentration. Ultrasonic velocity has been measured using single frequency interferometer at 2MHz (Model F-81). By using the Ultrasonic velocity (u), density (ρ) and coefficient of viscosity (η) and the other acoustical parameters adiabatic compressibility (κ), free length (Lf), interaction parameter (α), Free volume (Vf) were calculated. The addition of hexane with a mixture leads to a compact structure due to presence of dipolar type interaction. This contributes to the decrease in free volume values and the internal pressure shows an increasing trend. The results have been discussed in terms of solute-solute and solute-solvent interactions between the component and the compatibility of these methods in predicting the interactions in these mixtures has also been discussed.Key Words salicilaldehyde, iodine, hexane, Ultrasonic velocity, molecular interactions.
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Authors: Jin Ah Park, Chang Su Lee, Jong C. Park
Abstract: An abundant amount of information is produced in the digital domain, and an effective information extraction (IE) system is required to surf through this sea of information. In this paper, we show that an interactive visualization system works effectively to complement an IE system. In particular, three-dimensional (3D) visualization can turn a data-centric system into a user-centric one by facilitating the human visual system as a powerful pattern recognizer to become a part of the IE cycle. Because information as data is multidimensional in nature, 2D visualization has been the preferred mode. However, we argue that the extra dimension available for us in a 3D mode provides a valuable space where we can pack an orthogonal aspect of the available information. As for candidates of this orthogonal information, we have considered the following two aspects: 1) abstraction of the unstructured source data, and 2) the history line of the discovery process. We have applied our proposal to text data mining in bioinformatics. Through case studies of data mining for molecular interaction in the yeast and mitogen-activated protein kinase pathways, we demonstrate the possibility of interpreting the extracted results with a 3D visualization system.
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Authors: Xiao Liang Wang, Xu Dong Li, Xiao Min Wang, Jian Lu, Hui Chuan Zhao, Xing Dong Zhang, Zhong Wei Gu
Abstract: Collagen (Col) and chitosan (Chi) are both natural polymers and have received extensive investigation in recent years in the field of tissue engineering, but there are few reports on the introduction of hydroxyapatite (HA) into the Col-Ch system. In this study, based on the miscibility of these two polymers under proper condition, hydroxyapatite (HA) was synthesis in the Col-Chi system by in-situ co-precipitate method to give rise to a novel nanocomposite. The structural characterization of such Col-Ch-HA nano-materials was carried out by using FT-IR, XRD, SEM and TGA analyses with main components and Col-Chi samples used for comparison. It was found that there exist interactions between Col and Chi molecules. The nucleation and growth of inorganic phase occurs in the Col-Chi system and final products are uniform dispersion of nano-sized HA in the Col-Chi network without obvious phase separation. This novel nanocomposite would be a promising material for bone tissue engineering.
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