title: Nanosized bicalutamide and its molecular structure in solvents.
abstract: Nanosized bicalutamide particles have been obtained by anti-solvent precipitation after screened DMSO and EtOH as co-solvents. The produced nanoparticles have been characterized by scanning electron microscopy (SEM), Fourier transform infrared spectrophotometry (FTIR), X-ray diffraction (XRD) and a dissolution test. The mean particle size of bicalutamide is about 450nm with a narrow distribution. The results of the dissolution test show that dissolution rate of the produced nanoparticles are higher than that of the raw material. Besides, DFT calculations of the bicalutamide conformers have firstly been presented. It is found that the calculated geometry structure of lower-energy conformer is very similar to the experimental structure existing within the crystal lattice. The solvent effects have been taken into account based on the polarizable continuum model (PCM). The computed results appear that the introduction of dielectric medium has obvious effect on the molecular geometry of bicalutamide.
authors.affiliation: Key Lab for Nanomaterials, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029, China.
authors.forename: Yuan
authors.initials: Y
authors.lastname: Le
authors.forename: Hua
authors.initials: H
authors.lastname: Ji
authors.forename: Jian-Feng
authors.initials: JF
authors.lastname: Chen
authors.forename: Zhigang
authors.initials: Z
authors.lastname: Shen
authors.forename: Jimmy
authors.initials: J
authors.lastname: Yun
authors.forename: Min
authors.initials: M
authors.lastname: Pu
mesh_terms: D000813:Anilides / Q000008:administration & dosage / Q000737:chemistry*; D000970:Antineoplastic Agents / Q000008:administration & dosage / Q000737:chemistry*; D004121:Dimethyl Sulfoxide / Q000737:chemistry*; D004339:Drug Compounding / Q000379:methods; D000431:Ethanol / Q000737:chemistry*; D008855:Microscopy, Electron, Scanning; D015394:Molecular Structure; D049329:Nanostructures; D009570:Nitriles / Q000008:administration & dosage / Q000737:chemistry*; D010316:Particle Size; D011208:Powders; D012995:Solubility; D012997:Solvents / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D014105:Tosyl Compounds / Q000008:administration & dosage / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D000813:Anilides; D000970:Antineoplastic Agents; D009570:Nitriles; D011208:Powders; D012997:Solvents; D014105:Tosyl Compounds; D000431:Ethanol; C053541:bicalutamide; D004121:Dimethyl Sulfoxide