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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.
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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.
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- Award ID(s):
- 2122044
- PAR ID:
- 10582778
- 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
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- Free Publicly Accessible Full Text
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Accepted Manuscript
- Journal Article:
- https://doi.org/10.3390/molecules29133200
