skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

Explore Research Products in the PAR
It may take a few hours for recently added research products to appear in PAR search results.


Title: Experimental and Theoretical Studies on Indigo-Dye-Modified Conjugated Polymers
The present work reports the synthesis of indigo-dye-incorporated polyaniline (Indigo-PANI), poly(1-naphthylamine) (Indigo-PNA), poly(o-phenylenediamine) (Indigo-POPD), polypyrrole (Indigo-PPy), and polythiophene (Indigo-PTh) via an ultrasound-assisted method. The synthesized oligomers were characterized using FTIR, UV–visible spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), fluorescence studies, and thermogravimetric analysis (TGA). The experimental data were theoretically compared to analyze the vibrational and electronic spectra via time-dependent density-functional theory (TD-DFT) by applying the Becke, three-parameter, and Lee-Yang-Parr (B3LYP) method with a 6-311G (d,p) basis set. The experimental, theoretical vibrational, and electronic spectra were found to be in close agreement and confirmed the successful incorporation of indigo dye in PANI, PNA, POPD, PPy, and PTh. These studies confirmed that multifunctional oligomers could be synthesized through a facile technique by incorporating dye moieties to enhance their optoelectronic properties, allowing them to be utilized as near-infrared-emitting probes for photodynamic therapy.  more » « less
Award ID(s):
2122044
PAR ID:
10582778
Author(s) / Creator(s):
; ;
Publisher / Repository:
MDPI
Date Published:
Journal Name:
Molecules
Volume:
29
Issue:
13
ISSN:
1420-3049
Page Range / eLocation ID:
3200
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. ; ; ; ; (, New Journal of Chemistry)
    The present work reports the synthesis of water-dispersible polypyrrole (WD-PPy) and polythiophene (WD-PTh) copolymers in different weight ratios and their characterization using experimental and theoretical techniques. The copolymers were spectroscopically characterized using experimental 13 C-NMR, FTIR, and UV-visible studies, and theoretical FTIR and UV-visible studies. The theoretical frequency and UV-visible data were computed using Gaussian 09 software with the functional DFT/B3LYP method and 6-31G(d) basis set. For the first time, biophysical interaction studies were carried out using bovine serum albumin (BSA) and human serum albumin (HSA) for these polymers which are not yet reported in the literature. The results showed strong binding of the co-oligomers with BSA/HSA which could be utilized in designing potent inhibitors and biosensors. 
    more » « less
  2. ; ; ; (, Polymer Chemistry)
    null (Ed.)
    Green-processed conjugated materials can reduce the cost of optoelectronic devices and simultaneously minimize their ecological footprint. Here, we use both solution and vapor phase chemistry to oxidatively polymerize the natural hydrocarbon dye, guaiazulene, yielding the more functional material poly(guaiazulene). We chemically characterize oligomers of poly(guaiazulene) using nuclear magnetic resonance spectroscopy, gel-permeation chromatography, laser-desorption ionization mass spectroscopy, and ultraviolet-visible absorption spectroscopy. The optical properties of poly(guaiazulene) oligomers are studied via electronic structure calculations and are contrasted to those of standard poly(azulene). We show that poly(guaiazulene) films synthesized from the vapor phase exhibit enhanced optical properties compared to counterparts synthesized in solution. Collectively, this work outlines a green reaction process that consists of a single step and uses earth-abundant reagents to yield a hitherto unreported polymer for optoelectronic applications. 
    more » « less
  3. ; ; ; ; ; (, Nanoscale)
    null (Ed.)
    Peptide nucleic acids (PNAs) have gained considerable attention due to their remarkable potential in gene editing and targeting-based strategies. However, cellular delivery of PNAs remains a challenge in developing their broader therapeutic applications. Here, we investigated a novel complex made of lipid bicelles and PNA-based carriers for the efficient delivery of PNAs. For proof of concept, PNAs targeting microRNA (miR) 210 and 155 were tested. Comprehensive evaluation of positive as well as negative charge-containing bicelles with PNA : lipid ratios of 1 : 100, 1 : 1000, and 1 : 2500 was performed. The negatively charged bicelles with a PNA : lipid molar ratio of 1 : 2500 yielded a discoidal shape with a uniform diameter of ∼30 nm and a bilayer thickness of 5 nm, while the positively charged bicellar system contained irregular vesicles after the incorporation of PNA. Small-angle X-ray scattering (SAXS) analysis was performed to provide insight into how the hydrophobic PNAs interact with bicelles. Further, flow cytometry followed by confocal microscopy analyses substantiate the superior transfection efficiency of bicelles containing dye-conjugated antimiR PNAs. Functional analysis also confirmed miR inhibition by PNA oligomers delivered by bicelles. The nanodiscoidal complex opens a new pathway to deliver PNAs, which, on their own, are a great challenge to be endocytosed into cells. 
    more » « less
  4. ; ; (, Catalysts)
    The present work reports the synthesis of cobalt ferrite and its nanohybrids with polythiophene (PTh) in the weight ratios of 10% and 20%. The ferrite and its nanohybrids were characterized using thermogravimetric analysis (TGA), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy coupled with elemental mapping (Fe-SEM) to confirm the morphology as well as the structure of the synthesized nanohybrids. The nanohybrids were tested for their photocatalytic activity upon modification of PTh against Alizarin Yellow (AY), Congo Red (CR) and Brilliant Blue (BB). Almost 100% degradation was achieved in 30 min using 50 mg of the photocatalyst. The effect of catalyst concentration and dye concentration was also investigated to explore optimum concentration of the photocatalyst required for rapid degradation of the dye. The generation of radicals responsible for degradation was analyzed by radical scavenging experiments and a probable mechanism of degradation was proposed. 
    more » « less
  5. ; ; ; (, Scientific Reports)
    Abstract The present work reports facile synthesis of CuFe 2 O 4 nanoparticles via co-precipitation method and formulation of its nanohybrids with polythiophene (PTh). The structural and morphological properties were investigated using fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), scanning electron microscopy coupled with energy dispersive spectra (SEM-EDS) and UV–Vis spectroscopy. The band gap was found to decrease with increase in the loading of PTh and was found to be 2.52 eV for 1-PTh/CuFe 2 O 4 , 2.15 eV for 3-PTh/CuFe 2 O 4 and 1.89 eV for 5-PTh/CuFe 2 O 4 . The nanohybrids were utilized as photocatalysts for visible light induced degradation of diphenyl urea. Diphenyl urea showed 65% degradation using 150 mg catalyst within 120 min. Polyethylene (PE) was also degraded using these nanohybrids under visible light as well as microwave irradiation to compare its catalytic efficiency under both conditions. Almost 50% of PE was degraded under microwave and 22% under visible light irradiation using 5-PTh/CuFe 2 O 4 . The degraded diphenyl urea fragments were analyzed using LCMS and a tentative mechanism of degradation was proposed. 
    more » « less
  • Citation Formats
  • MLA
  • APA
  • Chicago
  • BibTeX
  • Save / Share this Record
  • Send to Email