Department of Chemistry

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    Exploring the Potential of Mn/Zno@Mxene Nanocomposite in Biomedical Applications
    (Library Information Services, COMSATS University Islamabad, Lahore Campus, 2025) Hina Murtaza; CIIT/SP24-R06-007/LHR; Dr. Sadaf Ul Hassan; LHR TP 10016
    Mxenes are two-dimensional transition metal composed of carbides and nitrides, which have recently attracted much attention as biomedical application platforms owing to their high electrical conductivity, numerous surface functional groups, and biocompatibility, which is favorable, giving them the best places to design multifunctional nanocomposites. This paper has managed to prepare and characterize a MnZno@Mxene nanocomposite through XRD, FTIR, Raman spectroscopy, UV-Vis spectroscopy, SEM, EDX, elemental mapping, and XPS. The MnZno@Mxene nanocomposite was found to have great antibacterial activity against both Gram-positive and Gram-negative bacterial with the maximum inhibitory zone of 22 mm against Escherichia coli, 18 mm against Staphylococcus aureus, and 19 mm against Pseudomonas aeruginosa, as compared to the standard antibiotics, including gentamicin and ciprofloxacin, and time-kill kinetic analysis revealed successful and sustained bacterial inhibition, especially in E. coli. A wound-healing assessment of a full-thickness excisional wound model in vivo showed that the treated group had a significantly faster healing rat with 95.19% wound closure at 10 days as opposed to 66.76% in the negative control, as well as increased skin regeneration and improved wound morphology. In addition, the nanocomposite also showed significant anti-inflammatory effects in carrageenan induced paw edema model, with paw thickness reducing from 4.39 mm to 6.96 mm after 24 hours, as a result, a change similar to the positive control. The high potential of MnZno@Mxene was further validated by histopathological analysis, which revealed increased re- epithelialization, decreased inflammation, and ordered deposition of collagen in treated tissues, indicating high adaptability and usefulness of MnZno@Mxene as an antimicrobial therapy, wound healing, and inflammation control material.
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    Desulfurization of Model Fuel Oil Using Modified Lignin@S-g-C3N4: Optimization via Response Surface Methodology
    (Library Information Services, COMSATS University Islamabad, Lahore Campus, 2025) Saba Iqbal; CIIT/SP24-R06-014/LHR; Dr. Sadaf Ul Hassan; LHR TP 10020
    This work reports the oxidative desulfurization of dibenzothiophene in model fuel using Kraft Lignin doped S-graphitic carbon nitride (Fe@KL/S-g-C₃N₄), a newly synthesized and eco-friendly catalyst. Thus, the formation of the composite was confirmed using other characterization techniques such as Energy-Dispersive X-ray Spectroscopy (EDX), Raman Spectroscopy, UV-Visible Spectroscopy, X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR) and Scanning Electron Microscopy (SEM). The result further showed that Kraft lignin (KL) was well adsorbed on to the S-g-C₃N₄ surface. New functional groups created through Kraft lignin adsorption increase surface coverage, add new active sites and improve S-g-C₃N₄ dispersion. The combined action inside the Fe@KL/S-g-C₃N₄ composite enhances its reactivity and also broadens the optical adsorption range. Optimizing the catalyst's effectiveness and assessing the impact of crucial variables on dibenzothiophene conversion. The following parameters were found to be ideal for maximal sulfur removal (98.37% conversion from 200 ppm): 42.5 °C, 0.3 g of catalyst, 32.5 minutes of reaction time, and 1 ml of H2O₂ as the oxidant. The quadratic model was shown to be very accurate (R2 = 0.9905), with a negligible lack of fit (p-value = 0.6671) when compared to the pure error, according to statistical analysis using ANOVA. The heterogeneous catalyst showed exceptional longevity by retaining both its structural integrity and its catalytic properties across five consecutive reuse cycles, proving to be a sustainable choice for desulfurization operations.
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    Desulfurization of Model Fuel with Mxene-Polyoxometalate Based Catalyst: Optimized by Box Behnken Design
    (Library Information Services, COMSATS University Islamabad, Lahore Campus, 2025) Kanwal Shaheen; CIIT/FA23-R06-012/LHR; Dr. Sadaf Ul Hassan; LHR TP10012
    Transportation fuels containing sulfur compounds are very dangerous to the environment and to health since when burnt they result in the generation of sulfur oxides. More stringent fuel regulations have necessitated the urgent need to have efficient and sustainable desulfurization technologies. The paper is concerned with the desulfurization of model fuel with an MXene-polyoxometalate (POM) based catalyst with process optimization being done by using Box-Behnken experimental design. The synthesis and characterization of a MXene-supported polyoxometalate catalyst was verified by the use of different physicochemical methods to establish the integrity of its structure, surface activity, and catalytic performance. The oxidative desulfurization of model fuel having typical sulfur compounds under mild reaction conditions was tested as catalystics. The most important operating parameters such as the dose of catalyst, oxidants to sulfur ratio, temperature of reaction, and reaction time were carefully explored. The Box Behnken design of Response Surface Methodology (RSM) was used to approximate and optimize the desulfurization reaction and reduce the amount of experimental experiments. The predicted and experimental results were found to have a strong correlation and the developed quadratic model was found to possess high significance and reliability as statistically determined. The synergistic outcome between MXene and polyoxometalate elements was observed as a great removal of sulfur rate under optimal reaction conditions. This is due to the high surface area, good electron transfer characteristics of MXene and the high oxidative ability of the polyoxometalate which have increased desulfurization performance. Also, the catalyst was well stabilized and could be used repeatedly in various cycles, which implies that it can be used practically. In general, the study indicates that the use of MXene polyoxometalate based catalysts and ix statistic optimization by Box Behnken design is a cost effective and eco-friendly method of deep desulfurization of fuels which can be useful in industrial desulfurization technology in future