Due to the importance of removing environmental pollutants to prevent human damage, the design of a substrate that can adsorb toxic and contaminating molecules in the industry, medicine and the environment is very necessary. Based on the properties and structure of nanofibers prepared by the electrospinning method, the purpose of this study was to produce a selective substrate using electrospinning of a polymer solution containing different modifiers such as metal oxides, conductive polymers, and molecularly imprinted polymers. In the first part, polyacrylonitrile nanofibers containing titanium dioxide nanoparticles and titanium dioxide modified with polythiophene were prepared. Photocatalytic properties of the nanofibers were investigated and compared with those of methyl orange, methylene blue and phenol. The prepared nanofibers had photocatalytic properties in response to different dyes, including methyl orang and methylene blue, and no significant changes in their performance were observed with different analyte types. So, the produced nanofibers responded to different analytes; as a result, they were not selective materials. Also, the capacity and performance of the nanofibers were decreased with increasing the initial concentration of the analyte and in some cases, a significant decrease was observed. Thus, it had no good sensitivity. Therefore, in the next part of the study, by using the molecularly imprinted polymer, the selectivity and sensitivity of the nanofibers were modified to adsorb bisphenol A. Molecularly imprinted polymer nanofibers were prepared using 3-aminopropyltriethoxy silane as the functional monomer and bisphenol A as a template molecule via the sol-gel process and the electrospinning technique. The molar ratio of the functional monomer to template molecule, as well as the amount of water and acid as a catalyst, were optimized to produce an MIP-NF with the suitable adsorption ability. EDS and FTIR spectra also exhibited that the MIPs were successfully synthesized via the sol-gel process. Raman, TGA and DSC measurements further demonstrated that there was a ?-form as well as an ?-form due to the existence of intermolecular interactions between nylon 6 and MIPs in the nanofibers. Also, there was no changes the thermal stability and crystallinity of the nanofibers. BET analysis also showed that the surface area of MIP-NFs was noticeably higher than that of NIP-NFs due to the existence of the imprinting sites in the MIP-NFs. The FESEM and TEM images also revealed that nanofibers had a smooth morphology without any beads, and the MIPs were formed on the surface as well as inside the nanofibers. The binding kinetics could be closely matched with the pseudo-second-order kinetic model, indicating a rapid adsorption process. The maximum binding capacity obtained from the Sips model for MIP-NFs and NIP-NFs was 115 and 46 mg/g, respectively. As shown by the results, the binding capacity of MIP-NFs was twice more than that of NIP-NFs, confirming the formation of specific holes in the nanofiber structure. MIP-NFs also exhibited good selectivity to phenol, 2-naphtol and naphtol AS as similar compounds. In addition, MIP-NFs showed good properties for the 5 cycle adsorption-desorption.