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<p>A new eco-friendly bio based adsorbent carboxymethyl starch grafted methacrylic acid (NCS-g-MA.Acid) was synthesized for the removal of methyl violet (MV) a toxic pollutant to marine life. For this purpose, the grafting of methacrylic acid was carried out to the carboxymethyl starch chain via free radical polymerization reaction. The structure of the NCS-g-MA.Acid was investigated by FT-IR and <sup>1</sup>HNMR. The nature, morphology and thermal properties were analyzed by using analytical techniques like XRD, SEM TGA and DTG. Different kinetic and adsorption models were applied to investigate the nature of the adsorption on MV dye onto NCS-g-MA.Acid. The maximum removal percentage (%R) of 95.65% was achieved under the following conditions: 20&#xa0;mg of NCS-g-MA.Acid in a 20&#xa0;ppm dye solution at pH 9, a temperature of 25&#xa0;°C, a stirring rate of 600&#xa0;rpm, and a contact time of 30&#xa0;min. Furthermore, the adsorption performance of un-grafted starch NCS and modified NCS-g-MA.Acid with MV dye have been checked through DFT calculations. The trends in interaction energies, noncovalent interaction and Hirsfeld surface analysis shows good correlation with experimental observation. The antibacterial activity of NCS-g-MA.Acid was also investigated by using different bacterial strains. Strains of <i>E. coli</i>, <i>Bacillus subtills</i>, <i>Xanthomonas</i> and <i>Klebsiella pneumonia</i> were all susceptible to the NCS-g-MA.Acid's effective antibacterial action. These details lead to the conclusion that NCS-g-MA.Acid would improve the fields of biomedicine and wastewater treatment.</p> Graphical Abstract <p></p>

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Exploring NCS-g-MA.Acid: Synthesis, Characterization, DFT Study, and Its Dual Function in Dye Adsorption and Antibacterial Efficacy

  • 期刊论文

  • 发表日期：

    2025年4月22日

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  • Irum Bukhari,
  • Fazal Haq,
  • Mehwish Kiran,
  • Ghazanfar Ullah,
  • Shah Masood Ahmad,
  • Iffat Ayesha Khan,
  • Sumbal Bibi,
  • Sayed Badshah

摘要

A new eco-friendly bio based adsorbent carboxymethyl starch grafted methacrylic acid (NCS-g-MA.Acid) was synthesized for the removal of methyl violet (MV) a toxic pollutant to marine life. For this purpose, the grafting of methacrylic acid was carried out to the carboxymethyl starch chain via free radical polymerization reaction. The structure of the NCS-g-MA.Acid was investigated by FT-IR and 1HNMR. The nature, morphology and thermal properties were analyzed by using analytical techniques like XRD, SEM TGA and DTG. Different kinetic and adsorption models were applied to investigate the nature of the adsorption on MV dye onto NCS-g-MA.Acid. The maximum removal percentage (%R) of 95.65% was achieved under the following conditions: 20 mg of NCS-g-MA.Acid in a 20 ppm dye solution at pH 9, a temperature of 25 °C, a stirring rate of 600 rpm, and a contact time of 30 min. Furthermore, the adsorption performance of un-grafted starch NCS and modified NCS-g-MA.Acid with MV dye have been checked through DFT calculations. The trends in interaction energies, noncovalent interaction and Hirsfeld surface analysis shows good correlation with experimental observation. The antibacterial activity of NCS-g-MA.Acid was also investigated by using different bacterial strains. Strains of E. coli, Bacillus subtills, Xanthomonas and Klebsiella pneumonia were all susceptible to the NCS-g-MA.Acid's effective antibacterial action. These details lead to the conclusion that NCS-g-MA.Acid would improve the fields of biomedicine and wastewater treatment.

Graphical Abstract