Abstract
Abstract The crosslinking of the Fc fragment (IgG antibody) on a polymer matrix about of dimethylacrylamide (DMA), melamide group (MG) and n-acryloxy succinimide (NAS) was analyzed through Monte Carlo simulation at 277.15K and pH 7, in where Gibs free energy and the dipole moment indicated the spontaneity of the reaction through van der Waals interactions. In addition, the QSAR properties determinated that both the surface area and the volume allow to carry out the physical adsorption of the Fc fragment that was verified through the electronic distribution of the electrostatic potential maps (MESP) where the nucleophilic zones (blue color) and electrophilic (red color) were observed, while the partition coefficient (Log P) indicated the solubility of the process. Subsequently, the analysis of the adsorption of the terbium ion (Tb+3) at 277.15K and a pH 7 in Fc/polymeric matrix was carried out, observing that the Fc fragment presented a flat-on optimization geometry attributed to the Tb+3 that generates electronic repulsions, as well as van der Waals forces, hydrogen bonds derived from the Cys aminoacids formed a polar structure and that was corroborated by the Log P negative. Finally, the surface area and volume determined that Tb+3 adsorption showed an increase in surface area and volume with temperature.
Highlights
IntroductionThe development of contrast agents has produced an the immobilization of antibodies in immunoassays[8].advance in the analysis of clinical images of biological Polyacrylamide is the polymer of greatest use in the processes in which the lanthanide elements are analyzed to synthesis of polymer matrices for the adsorption of biological obtain multimodal images, diagnosis and cancer therapies macromolecules in delivery systems due to the characteristics due to properties of density and magnetic susceptibility[1]. of biocompatibility[1,9].In addition, the lanthanides exhibit a low toxicity attributed to the trivalent state that allows are bonded to ligands that present an oxygen donor, besides are excellent indicators of degenerative diseases due to the antioxidant properties[1,2]
It is appreciated that the free energy of Gibbs (ΔG) is spontaneous because the interactions between the molecules generate a rearrangement of charges caused by the heteroatoms, in addition to the difference of the ΔG that can be seen in Tables 1 and 3[28,33]
The addition of the melamide group (MG) to the polymer generated the Michael reaction in the double bond of the structure of the melamide allows a reaction with the functional groups of DMA and n-acryloxy succinimide (NAS) attributed to the electron loss of the carbonyls[34]
Summary
The development of contrast agents has produced an the immobilization of antibodies in immunoassays[8].advance in the analysis of clinical images of biological Polyacrylamide is the polymer of greatest use in the processes in which the lanthanide elements are analyzed to synthesis of polymer matrices for the adsorption of biological obtain multimodal images, diagnosis and cancer therapies macromolecules in delivery systems due to the characteristics due to properties of density and magnetic susceptibility[1]. of biocompatibility[1,9].In addition, the lanthanides exhibit a low toxicity attributed to the trivalent state that allows are bonded to ligands that present an oxygen donor, besides are excellent indicators of degenerative diseases due to the antioxidant properties[1,2]. Advance in the analysis of clinical images of biological Polyacrylamide is the polymer of greatest use in the processes in which the lanthanide elements are analyzed to synthesis of polymer matrices for the adsorption of biological obtain multimodal images, diagnosis and cancer therapies macromolecules in delivery systems due to the characteristics due to properties of density and magnetic susceptibility[1]. The lanthanide elements have become more important in the identification and treatment of cancer, where the terbium ion (Tb+3) is used in the recognition of protein structures to develop new cancer inhibitors[3]. Using polymer matrices the adsorption of lanthanides is carried out and the design of the controlled release systems are efficient and have no toxicity in the release of peptides, proteins and genes[4,5]. There is a diversity of polymers used in the adsorption of
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