Irum Bukhari, Fazal Haq, Mehwish Kiran, Ghazanfar Ullah, Shah Masood Ahmad, Iffat Ayesha Khan, Sumbal Bibi, Sayed Badshah
{"title":"探索NCS-g-MA。酸：合成、表征、DFT研究及其在染料吸附和抗菌中的双重作用","authors":"Irum Bukhari, Fazal Haq, Mehwish Kiran, Ghazanfar Ullah, Shah Masood Ahmad, Iffat Ayesha Khan, Sumbal Bibi, Sayed Badshah","doi":"10.1007/s11270-025-08008-9","DOIUrl":null,"url":null,"abstract":"<div><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 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 <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><h3>Graphical Abstract</h3>\n<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":808,"journal":{"name":"Water, Air, & Soil Pollution","volume":"236 6","pages":""},"PeriodicalIF":3.0000,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring NCS-g-MA.Acid: Synthesis, Characterization, DFT Study, and Its Dual Function in Dye Adsorption and Antibacterial Efficacy\",\"authors\":\"Irum Bukhari, Fazal Haq, Mehwish Kiran, Ghazanfar Ullah, Shah Masood Ahmad, Iffat Ayesha Khan, Sumbal Bibi, Sayed Badshah\",\"doi\":\"10.1007/s11270-025-08008-9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><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 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. 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Exploring NCS-g-MA.Acid: Synthesis, Characterization, DFT Study, and Its Dual Function in Dye Adsorption and Antibacterial Efficacy
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.
期刊介绍：
Water, Air, & Soil Pollution is an international, interdisciplinary journal on all aspects of pollution and solutions to pollution in the biosphere. This includes chemical, physical and biological processes affecting flora, fauna, water, air and soil in relation to environmental pollution. Because of its scope, the subject areas are diverse and include all aspects of pollution sources, transport, deposition, accumulation, acid precipitation, atmospheric pollution, metals, aquatic pollution including marine pollution and ground water, waste water, pesticides, soil pollution, sewage, sediment pollution, forestry pollution, effects of pollutants on humans, vegetation, fish, aquatic species, micro-organisms, and animals, environmental and molecular toxicology applied to pollution research, biosensors, global and climate change, ecological implications of pollution and pollution models. Water, Air, & Soil Pollution also publishes manuscripts on novel methods used in the study of environmental pollutants, environmental toxicology, environmental biology, novel environmental engineering related to pollution, biodiversity as influenced by pollution, novel environmental biotechnology as applied to pollution (e.g. bioremediation), environmental modelling and biorestoration of polluted environments.
Articles should not be submitted that are of local interest only and do not advance international knowledge in environmental pollution and solutions to pollution. Articles that simply replicate known knowledge or techniques while researching a local pollution problem will normally be rejected without review. Submitted articles must have up-to-date references, employ the correct experimental replication and statistical analysis, where needed and contain a significant contribution to new knowledge. The publishing and editorial team sincerely appreciate your cooperation.
Water, Air, & Soil Pollution publishes research papers; review articles; mini-reviews; and book reviews.
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