Department of Chemistry

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Start date: 2021Subject: search.filters.subject.FA21

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    Synthesis of Cellulose based Nanocomposite for the Potential Application in Electrochemical Sensor
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-27) Muhammad Junaid Talib Awan; FA21-R06-003; Dr. Lubna Sherin; LHR TP 8639
    High surface area, structural flexibility, and the ability to selectively detect metal ions have all contributed to the rise of metal-organic frameworks (MOFs) as a class of useful materials for sensing applications. With the goal of detecting metal ions, this thesis explores the synthesis, characterization, and use of a composite material made of Cu-CA MOF, polyaniline (PANI), and expanded graphite (EG). The fundamental goal of this research is to investigate how incorporating Cu-CA MOF, PANI, and EG into a composite material can increase its sensitivity to metal ions. The Cu-CA MOF serves as a very porous support material, allowing the PANI and EG to be distributed throughout the composite. PANI, a conductive polymer, adds electrical conductivity and more sites for attaching metal ions, while EG, a conductive network, boosts electron transport and sensor performance in general. The synthesis of the Cu-CA MOF/PANI/EG composite material is a multi-step process that begins with the fabrication of Cu-CA MOF and continues with the integration of PANI and EG. X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and electrochemical analysis are all used to characterize the resultant composite. By exposing the Cu-CA MOF/PANI/EG composite to silver metal ions, we can gauge its sensing performance. The composite material and metal ions interact, leading to changes in electrical conductivity or other quantifiable signals, which are used as the sensing mechanism. The composite's selectivity, sensitivity, and response time are studied for a variety of metal ions and compared to those of established sensing materials. The findings show that the Cu-CA MOF/PANI/EG composite has great sensing capacities for silver metal ions, with good sensitivity and selectivity. The composite material has shown encouraging results in detecting silver metal ions. We also test the composite's durability, reusability, and performance in complex sample matrices to see if it has any practical uses.structural flexibility
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    Synthesis and Characterization of COF based Nanocomposites as Photocatalyst
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-27) Talha Rafi; FA21-R06-027; Dr. Muhammad Shahid Nazir; LHR TP 8457
    Dyes are synthetic organic compounds that are abundantly used in industries. The use of these dyes is major contributors towards environmental pollution. Their hazardous nature raises great concerns in general public. Advancement in nanotechnology can efficiently help in mitigating this problem as nanoparticles can efficiently convert these harmful dyes into less harmful chemical byproducts through a process called Photocatalysis. COF has been reported as photocatalyst with less stability and efficiency. In this paper, new modification of COF-LZU-1 was reported by dopping Cu, Zn, Fe and Ag metals into COF-LZU-1 nanoparticles by simple solvothermal method. Degradation of 40ppm methylene blue and congo red dye was reported by adding 2mg of each metal modified COF-LZU-1. Cu being and excellent photocatalyst with smallest bend gap of 2.1eV, degraded Congo Red dye (95.7%) and Methylene Blue dye (80%). All these metals do not change actual structure of COF-LZU-1 but enhanced photocatalytic activity of COF-LZU-1.
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    A Porphyrin based Estimation of Histamine Towards Detection of Meat Spoilage
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-27) Unzila Saeed; CIIT/FA21-R06-014/LHR; Dr. Mian Hasnain Nawaz,; LHR TP 8446
    A major barrier to clinical diabetes diagnosis, management, and therapy is accurate histamine monitoring in chicken flesh. Due to their exceptional optical, electrical, and detecting qualities, histamine sensors based on fluorescent 2D material nanocomposites have drawn a lot of interest. The zinc oxide nanoparticles (ZnO NPs) developed in the current research display exceptional sensitivity and selectivity with 5,10,15,20-Tetrakis(4-hydroxyphenyl)-21H,23H-porphine (THPP) dye because of their high surface area, increased number of active sites, and improved common optical and electrical features, Using several characterization instruments such as SEM, XRD, FTIR, RAMAN spectroscopy, UV-Vis and Fluorescence Spectrophotometry morphology, and the surface chemistry chemical content, and fluorescence behaviour of the produced samples were justified. In the designed sensor, the fluorescence quenching of the THPP dye with ZnO-NPs when treated with various concentrations of histamine and without histamine, successfully increased the response of the fluorescent dye. The sensor has a linear range of 1.2 mM to 6.7 mM of histamine and a sensitivity of 3.34% mM-1 with the lower limit of detection i.e., 0.089 mM. Through the use of various molar concentrations of histamine and other analytes, the sensor's selectivity and sensitivity have been verified. Accordingly, based on our findings, the suggested sensor has a high level of discernment and responsiveness in its behaviour of fluorescence quenching efficiency towards histamine
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    Theoretical Studies of Superalkalis Doping on Calix[4]arene; A Unique Approach for the Improvement of Nonlinear Optical Response
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-27) Khalida Khalil; FA21-R06-024; Dr. Mazhar Amjad Gilani; LHR TP 8454
    Many scientists are interested in developing high-performance nonlinear materials because of their potential uses in areas such as optics, optoelectronics, optical computing, and others. Density Functional theory (DFT) is used to predict NLO response of the selected systems. The study revealed that the doping of superalkalis on calix[4]arene is an efficient strategy to design high performance NLO materials. The interaction energy (Eint) calculations are used to analyze the thermal stability of the complexes under consideration. Superalkali doping generates diffuse surplus electrons, which produce the alkalide properties in the corresponding systems. Through static and dynamic hyperpolarizability investigations, these alkalides are further studied for their nonlinear optical (NLO) responses. The large values of second (5.9×105) and third-order (1.9×108) NLO responses at 1200 nm, along with a high refractive index, demonstrate that the NLO response of the corresponding complexes increases at large wavelength. The nature of charge transfer was confirmed by the NBO analysis. The weak electrostatic interactions between calix[4]arene and superalkali was revealed through QTAIM and interaction region indicator analysis (IRI). The TD-DFT calculations confirmed the transparency of these superalkali (Li3O, Na3O and K3O) doped complexes in UV-VISIBLE regions. Overall, the study highlights the M3O@calix[4]arene as potential candidate for designing high performance NLO materials.
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    Identification of Bioactive Phytoconstituents from Anti-hemorrhagic Herbal Mixture
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-26) Ali Hamza Sajid; FA21-R06-028; Dr. Muhammad Javid Iqbal; LHR TP 8458
    Plants are essential for human well-being, providing vital resources and medicinal benefits. This study focused on a herbal mixture comprising Nigella sativa (40%), Cassia senna (20%), Oscimum basilicum (20%), and Mentha piperita (20%), investigating their synergistic potential as anti-inflammatory and anti-angiogenic agents. Chronic ailments activate inflammatory and angiogenic pathways, causing swelling, pain, and bleeding. Synthetic drugs have limitations, while herbal medicines offer a safer alternative research Current studies aimed to find effective and safe phytoconstituents to replace synthetic drugs. Different extracts were obtained through sequential extraction using petroleum ether, chloroform, and methanol. Phytochemical screening confirmed the presence of key chemical constituents. HPLC confirmed that methanol extracts contained polyphenolic compounds such as quercetin, gallic acid, vanillic acid, syringic acid, m-coumaric acid, and sinapic acid, while the chloroform extracts contained phenolic compounds including quercetin, vanillic acid, benzoic acid, chlorogenic acid, p-coumaric acid, and cinnamic acid. The antiangiogenic activity of extracts was evaluated using the CAM assay. The methanol extracts at 1000μg/ml showed significant antiangiogenic activity with a 57.91% inhibition rate. The 500μg/ml concentration also showed significant potential with a 39.56% inhibition rate. The high dose of the chloroform extract displayed significant results, while the petroleum ether extract did not show significant effects. The positive control, Sorafenib, exhibited a significant inhibition rate of 55.89%. The anti-inflammatory activity was evaluated using the carrageenan-induced hind paw edema test. The 500mg/kg dose of the methanol and chloroform extracts showed significant anti-inflammatory effects, with inhibition rates of 93.49% and 78.35% respectively after 120 minutes. At 90 minutes, the methanol extract exhibited an inhibition rate of 86.79%, while the chloroform extract showed an inhibition rate of 71.84%. The 250mg/kg concentration of both extracts also displayed significant anti-inflammatory activity. The petroleum ether extract exhibited moderate anti-inflammatory activity only at the 500mg/kg concentration. Overall, the results highlighted the superior synergistic anti-inflammatory and anti-angiogenic potential of the methanol and chloroform extracts in comparison to the petroleum ether extract, suggesting their suitability for the development of natural anti-in
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    Functionalized Graphene Oxide Modified Carbon Cloth Electrode for Supercapacitor Applications
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-26) Mudassar Jamil; FA21-R06-008; Dr. Sara Riaz; LHR TP 8443
    Supercapacitors have gained significant attention as energy storage devices due to their high-power density, fast charge-discharge rates, and long cycling life. Supercapacitors can provide a substantial amount of power for acceleration and regenerative braking, complementing the energy storage provided by batteries. In this study, we focused on evaluating the potential of graphene oxide (GO) based composite as a supercapacitor material. The objective was to evaluate its electrochemical performance, cyclic stability, and energy storage capabilities. GO was modified first by iron oxide nanoparticles and then hydroxy porphyrin is attached on the surface on GO by non-covalent interaction to make a hybrid composite. The material was characterized using X-ray diffraction, Fourier-transform infrared spectroscopy, and scanning electron microscopy. The results confirmed the successful preparation of GO composite material with desired properties, including a high surface area and unique structural features. Moreover, electrochemical tests were conducted to assess the performance of different prepared material as a supercapacitor electrode material. Galvanostatic charge-discharge measurements revealed the capacitance and charge holding capability of our composite material. From the electrochemical experimental data, the capacitance performance of the GO/Fe3O4/TPPH composite was about 659.5 F/g at a current density of 2 A/g. This capacitance was competent in comparison the capacitance of GO/Fe3O4 and GO which was 401.7 F/g, 155.5 F/g respectively. The energy density calculated for 2 A/g was calculated 74.19 Wh/Kg with the power density of 3215.8 W/kg. In conclusion, the final composite performed very well for supercapacitor application.
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    Synthesis and Characterization of COF based Nanocomposites as Photocatalyst
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-26) Talha Rafi; FA21-R06-027; Dr. Muhammad Shahid Nazir; LHR TP 8457
    Dyes are synthetic organic compounds that are abundantly used in industries. The use of these dyes is major contributors towards environmental pollution. Their hazardous nature raises great concerns in general public. Advancement in nanotechnology can efficiently help in mitigating this problem as nanoparticles can efficiently convert these harmful dyes into less harmful chemical byproducts through a process called Photocatalysis. COF has been reported as photocatalyst with less stability and efficiency. In this paper, new modification of COF-LZU-1 was reported by dopping Cu, Zn, Fe and Ag metals into COF-LZU-1 nanoparticles by simple solvothermal method. Degradation of 40ppm methylene blue and congo red dye was reported by adding 2mg of each metal modified COF-LZU-1. Cu being and excellent photocatalyst with smallest bend gap of 2.1eV, degraded Congo Red dye (95.7%) and Methylene Blue dye (80%). All these metals do not change actual structure of COF-LZU-1 but enhanced photocatalytic activity of COF-LZU-1.
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    Development of Drug Loaded Injectable Bioactive Glass for Dental Applications
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-26) Maham Rafique; FA21-R06-011; Dr. Asma Tufail Shah; LHR TP 8444
    Conventional therapies practiced for the treatment of dental infections are limited and invasive. Thus, in recent years, injectable hydrogel systems have emerged as a promising approach for tissue repair and localized drug delivery. These systems offer advantages such as ease of administration, minimal invasiveness, faster recovery, and long-term efficacy. That is why, in this study, we synthesized a novel thermoresponsive, injectable hydrogel using biocompatible and biodegradable components, namely chitosan and alginate, in combination with the bioactive glass that will be used to promote bone regeneration along with the antibacterial properties. Various concentrations of the primary polymers and selenium-substituted bioactive glasses were investigated, and the hydrogels were characterized using techniques such as X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and contact angle measurements. Gelation behavior and setting time of the hydrogels were analyzed both with and without the presence of bioactive glass by employing tube inversion method and a setting time of 13 minutes was achieved for the prepared hydrogel system. Their injectability was assessed using syringe needles of different gauges like 17G, 18G, 19G and was found to be in accordance with their applicability as minimally invasive procedures. Furthermore, antibacterial studies were conducted against S. mutans, revealing significant antibacterial activity of the drug loaded hydrogels containing selenium-substituted bioactive glass with the maximum inhibition shown by the hydrogels with highest percentage of selenium.
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    3D Printing of Novel Anti-bacterial Polymer Composite Auxetic Structures for Biomedical Meshes
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-26) Asad Maqsood; FA21-R06-021; Dr. Eng. Farasat Iqbal; LHR TP 8451
    Hernia repair treatment is one of the common surgical procedures globally. Increasing prevalence of surgeries has led to many complications in the human body. Successful treatment of hernia repair is necessary in preventing critical outcomes such as foreign body rejection, lack of biocompatibility and high adhesion to the abdomen wall. Ideal mesh for hernia repair is still in debate. 3D Printing of hernia meshes can reduce many surgical complications due to its long-term benefits. Mesh size, shape, material properties, weight to volume ratio, thickness and flexibility etc. can be compared using the Additive Manufacturing technique. Auxetic structures are metamaterials having Negative Poisson’s Ratio (NPR). They possess higher loading and stretching effect as compared to conventional meshes. Polypropylene is of greater interest for surgical 3D Printed hernia meshes because of its non-biodegradable nature. Pore size and thickness of the meshes are the major controlling parameters for the 3D Printed auxetic and non-auxetic hernia meshes. Coatings of 3D Printed hernia meshes using ZnO NPs enables the antibacterial properties in the hernia meshes. The 3D Printed meshes are also used in anti-bacterial applications avoiding systematic toxicity. The selected 3D Printed auxetic and non-auxetic hernia meshes were characterized using the Fourier Transform Infrared (FTIR) Spectroscopy, Scanning Electron Microscopy (SEM) and Optical Microscopy. The mechanical strength and stability can be determined using the Dynamic Mechanical Analysis (DMA). Temperature and frequency sweep analysis were performed respectively. In UTM, based on the stress-strain curves breaking strain, maximum force and stiffness were computed. Anti-bacterial activity using the broth dilution method confirms the antibacterial effects of the coated auxetic and non-auxetic hernia meshes. Useful information for the selection of possible medical applications for auxetic and non-auxetic meshes and the design process of 3D printed implants are provided. Therefore, the 3D Printed coated nanocomposite auxetic mesh can be a promising candidate for hernia repair in the future.
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    Synthesis of Versatile Bio Adsorbent from Wheat Bran based Biomaterials to Clean Textile Wastewater
    (Library Information Services COMSATS University Islamabad Lahore Campus, 2023-02-26) Atiya Mukhtar; FA21-R06-001/LHR; Dr. Muhammad Javid Iqbal; LHR TP 8439
    Textile industry is of the biggest water consumption industries globally which is generating a significant amount of wastewater with high level of pollutants. Outflow of textile effluent is a major issue in this era and it is becoming the considerable problem and health disasters for humans and other livings. The presented work is basically on the synthesis of unmodified and modified wheat bran as bio adsorbent material. The efficacy and adsorption capacity have increased significantly with activated charcoal and highlighted its application by using different parameters and frameworks for removal of CBB textile dyes have been tested. Commassie Brilliant blue dye has largely been used for staining and dying on protein fabric in textile industry. Removal of toxic dyes from textile wastewater in a modal water system has been checked experimentally for the efficiency of laboratory developed bio adsorbent. Several parameters were used like pH change, adsorbate concentration, adsorbent concentration, temperature and time and by changing these parameters significant variations were observed through % removal of CBB dye. For the characterization of mesostructured wheat bran and activated charcoal before and after adsorption by FTIR technique, UV-visible spectroscopy was used to measure absorption and find out percentage adsorption or removal of dye in wastewater samples.XRD was used to investigate average crystalline size. Bio adsorbent have removed 97% of organic dye named CBB R-250g through unmodified and modified wheat brans which proved good adsorption and reusability for minimum 0.1g/100ml of solution. This ecofriendly bio adsorbent can be used in bulk for cleaning the textile wastewater on industrial scale economically. In future, mega projects of cleaning waste water may be initiated in cosmopolitan areas by local Government municipality.