title: Computational simulation and preparation of fluorescent magnetic molecularly imprinted silica nanospheres for ciprofloxacin or norfloxacin sensing.
abstract: A magnetic molecularly imprinted fluorescent sensor for the sensitive and convenient determination of ciprofloxacin or norfloxacin in human urine was synthesized and characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray diffraction, ultraviolet/visible spectroscopy, and fluorescence spectroscopy. Both cadmium telluride quantum dots and ferroferric oxide nanoparticles are introduced into the polymer for the rapid separation and detection of the target molecules. The synthesized molecularly imprinted polymers were applied to detect ciprofloxacin or its structural analog norfloxacin in human urine with the detection limit 130 ng/mL. A computational study was developed to evaluate the template-monomer geometry and interaction energy in the polymerization mixture to determine the reaction molar ratio of the template and monomer molecules.
authors.affiliation: State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Changchun, P. R. China; Department of Resources and Environment, Jilin Agriculture University, Changchun, P. R. China.
authors.forename: Bo
authors.initials: B
authors.lastname: Gao
authors.forename: Xin-Ping
authors.initials: XP
authors.lastname: He
authors.forename: Yang
authors.initials: Y
authors.lastname: Jiang
authors.forename: Jia-Tong
authors.initials: JT
authors.lastname: Wei
authors.forename: Hui
authors.initials: H
authors.lastname: Suo
authors.forename: Chun
authors.initials: C
authors.lastname: Zhao
mesh_terms: D019187:Cadmium Compounds / Q000737:chemistry; D002939:Ciprofloxacin / Q000652:urine*; D005290:Ferric Compounds / Q000737:chemistry; D005453:Fluorescence; D005456:Fluorescent Dyes / Q000138:chemical synthesis / Q000737:chemistry; D006801:Humans; D060328:Magnetic Phenomena; D056004:Molecular Dynamics Simulation; D054802:Molecular Imprinting; D015394:Molecular Structure; D054118:Nanospheres / Q000737:chemistry*; D009643:Norfloxacin / Q000652:urine*; D010316:Particle Size; D011108:Polymers / Q000138:chemical synthesis / Q000737:chemistry; D045663:Quantum Dots; D012822:Silicon Dioxide / Q000737:chemistry*; D013499:Surface Properties; D013691:Tellurium / Q000737:chemistry
chemical_list: D019187:Cadmium Compounds; D005290:Ferric Compounds; D005456:Fluorescent Dyes; D011108:Polymers; C000499:ferric oxide; D002939:Ciprofloxacin; D012822:Silicon Dioxide; D009643:Norfloxacin; D013691:Tellurium; C028337:cadmium telluride
keywords: Fluorescence; Fluoroquinolones; Magnetic separation; Molecular imprinting; Molecular modeling