作者: Satvinder Singh , Baljinder Singh , Prateek Sharma , Anu Mittal , Sanjeev Kumar
DOI: 10.1016/J.MATDES.2017.08.020
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摘要: Abstract Blending of theoretical and experimental approach, provide an important strategy in designing the nanostructure at a microscopic level helps predicting response synthesized material towards inhibition growth breast cancer cell. In this work, ab initio calculations using super cell approach are performed for three different amino acids (AAs)-Histidine (His), Arginine (Arg) Aspartic acid (Asp) coated Zinc oxide (ZnO) nanostructures to explain mechanism nanoparticles (NPs) shapes. Based on first principles calculations, we reveal that ZnO-AA (Arg Asp) NPs results rod like ZnO-His lead tablet configuration. Similar morphologies fabricated AAs through synthetic route. The effect concentration ratio reactants pH has been studied. As samples, characterized by Transmission Electron Microscopy (TEM), X-ray diffraction (XRD), Fourier Transform Infrared (FTIR) UV–Vis spectroscopy techniques. results, plausible formation proposed. with morphology found be biocompatible normal red blood cells show cytotoxic as evaluated from hemolysis cytotoxicity assays (MCF-7, T47D, MDA-MB-231) & prostate (PC-3) lines.