TY - JOUR
T1 - Ternary system cationic copolymer (dimethylaminoethyl methacrylate: Butyl methacrylate)/thioglycolic acid doped copper tungstate nanocomposite for environmental remediation and pathogen control supported by molecular docking analysis
AU - Mohamed Kadie, Abdikani Hussein
AU - Haider, Ali
AU - Shahzadi, Anum
AU - Ul-Hamid, Anwar
AU - Ullah, Hameed
AU - Ayari-Akkari, Amel
AU - Mateen, Zernab
AU - Ikram, Muhammad
N1 - Publisher Copyright:
© 2025 Elsevier B.V.
PY - 2025/7/1
Y1 - 2025/7/1
N2 - 2 and 4 wt % of cationic copolymer (dimethylaminoethyl methacrylate: butyl methacrylate) designed eudragit (Eud) with a fixed quantity of thioglycolic acid (TGA) doped copper tungstate (CuWO4) nanocomposite (NC) were prepared using a co-precipitation approach. A range of characterization techniques was employed to analyze the structural, optical, and compositional characteristics of prepared NC. XRD analysis confirmed the monoclinic and anorthic crystal structure of CuWO4, addition of Eud and TGA resulted in increased crystallinity of CuWO4. FTIR spectra verified the presence of vibrational modes related to CuWO4. The electronic spectra demonstrated an increased absorption window and redshift with Eud and TGA, leading to the reduction in bandgap energy (Eg). FESEM analysis elucidates the flakes and rod-like structures on the surface of CuWO4 with dopants. 4 wt % Eud/TGA-CuWO4 revealed a significant reduction of methyl orange (MO) dye in a neutral medium. Furthermore, the bactericidal effectiveness was tested against S. aureus, demonstrating a remarkable inhibition zone (7.35 mm). The mechanism behind the bactericidal action of TGA-CuWO4, Eud/TGA-CuWO4 NC against DNA gyrase S. aureus (Gram + ve) was studied using molecular docking.
AB - 2 and 4 wt % of cationic copolymer (dimethylaminoethyl methacrylate: butyl methacrylate) designed eudragit (Eud) with a fixed quantity of thioglycolic acid (TGA) doped copper tungstate (CuWO4) nanocomposite (NC) were prepared using a co-precipitation approach. A range of characterization techniques was employed to analyze the structural, optical, and compositional characteristics of prepared NC. XRD analysis confirmed the monoclinic and anorthic crystal structure of CuWO4, addition of Eud and TGA resulted in increased crystallinity of CuWO4. FTIR spectra verified the presence of vibrational modes related to CuWO4. The electronic spectra demonstrated an increased absorption window and redshift with Eud and TGA, leading to the reduction in bandgap energy (Eg). FESEM analysis elucidates the flakes and rod-like structures on the surface of CuWO4 with dopants. 4 wt % Eud/TGA-CuWO4 revealed a significant reduction of methyl orange (MO) dye in a neutral medium. Furthermore, the bactericidal effectiveness was tested against S. aureus, demonstrating a remarkable inhibition zone (7.35 mm). The mechanism behind the bactericidal action of TGA-CuWO4, Eud/TGA-CuWO4 NC against DNA gyrase S. aureus (Gram + ve) was studied using molecular docking.
KW - Co-precipitation
KW - Dye decolorization
KW - Molecular docking
KW - S. aureus
UR - https://www.scopus.com/pages/publications/86000641838
U2 - 10.1016/j.matchemphys.2025.130635
DO - 10.1016/j.matchemphys.2025.130635
M3 - Article
AN - SCOPUS:86000641838
SN - 0254-0584
VL - 338
JO - Materials Chemistry and Physics
JF - Materials Chemistry and Physics
M1 - 130635
ER -