A5030392719- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Synthesis and biological activity
- Metalloenzymes and iron-sulfur proteins
- Chemistry and Chemical Engineering
- Metal-Catalyzed Oxygenation Mechanisms
- Synthesis and Characterization of Heterocyclic Compounds
- Ionic liquids properties and applications
- Electrocatalysts for Energy Conversion
- Inorganic and Organometallic Chemistry
- Computational Drug Discovery Methods
- Metal complexes synthesis and properties
- Synthesis and Biological Evaluation
- Ammonia Synthesis and Nitrogen Reduction
- COVID-19 diagnosis using AI
- Visual and Cognitive Learning Processes
- MRI in cancer diagnosis
- Advanced Chemical Sensor Technologies
- Urological Disorders and Treatments
- Gynecological conditions and treatments
- Pediatric Urology and Nephrology Studies
- Biosensors and Analytical Detection
- Catalysis for Biomass Conversion
- Spatial Cognition and Navigation
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
National University of Sciences and Technology
2017-2025
University of the Sciences
2021-2025
Lahore General Hospital
2021-2024
Quaid-i-Azam University
2009
Students undertaking courses in the field of chemistry need to integrate their spatial skills and conceptual knowledge. However, model perception along with understanding processes structures molecules has been a cause difficulty for students as conventional teaching methods cannot fully aid student comprehension. In this research, we propose technological solution learning process by automatically creating link between two-dimensional (2D) representations chemical three-dimensional (3D)...
Antibacterial activity is an essential property of ionic liquids. In this work, a comprehensive study has been performed on the antibacterial liquids to be utilized for further research and applications. Eighteen viz. Octyl Imidazolium, octyl Pyridinium, quaternary phosphonium-based cations containing bromide, sodium methane sulphonates, bis(trifluoromethane sulfonyl) imide, dichloroacetate, tetrafluoroborate, hydrogen sulfate were prepared characterized with help different spectroscopic...
Self-study is an integral part of chemistry learning, whereby the students consume knowledge outside classroom environment. The COVID-19 pandemic magnified need for efficient methods synchronous and asynchronous instructional content delivery worldwide. Virtual reality (VR) presents a prospective technological solution to aid delivery, particularly visual subjects such as chemistry. We investigate feasibility using carefully designed VR-based assist offline instruction about enzymes...
Objective: To compare the diagnostic accuracies of HRCT chest and RT-PCR results in diagnosis coronavirus disease (COVID-19) a tertiary care hospital Lahore.Study Design: Descriptive study.
Acetylene hydratase (AH) of Pelobacter acetylenicus is a tungsten (W)-containing iron–sulfur enzyme that catalyzes the transformation acetylene to acetaldehyde, exact/true reaction mechanism which still in question. Scientists utilized different computational approaches understand hydration. Some identified it as multistep (4–16) process starts with displacement water molecule present at active site AH acetylene. However, some said there no need displace AH. As for conversion acetaldehyde...
Ionic liquids (ILs) have emerged as active pharmaceutical ingredients because of their excellent antibacterial and biological activities. Herein, we used the green-chemistry-synthesis procedure, also known metathesis method, to develop three series ionic using 1-methyl-3-butyl imidazolium, butyl pyridinium, diethyldibutylammonium cations, bromide (Br-), methanesulfonate (CH3SO3-), bis(trifluoromethanesulfonyl)imide (NTf2-), dichloroacetate (CHCl2CO2-), tetrafluoroborate (BF4-), hydrogen...
The molybdenum and tungsten active site model complexes, derived from the protein X-ray crystal structure of first W-containing nitrate reductase isolated Pyrobaculum aerophilum, were computed for reduction at COSMO-B3LYP/SDDp//B3LYP/Lanl2DZ(p) energy level density functional theory. containing complex (Mo–Nar) has largest activation (34.4 kcal/mol) oxygen atom transfer to metal center as compared (W–Nar) (12.0 kcal/mol). Oxidation educt is close thermoneutral (−1.9 Mo but strongly...
The computational analysis of geometrically different copper-trimethoprim complexes, experimentally formed at two temperatures, was performed using Density Functional Theory (DFT) method. Initial geometries complexes 1, 2, and 3 were obtained from crystallographic data. These three fully optimized B3LYP/BLYP hybrid density functional methods along with 6-31G LANL2DZ basis sets 298 352 K. results compared the experimental data show that complex 1 is most stable geometry while...
Objective: To compare the diagnostic accuracies of HRCT chest and RT-PCR results in diagnosis coronavirus disease (COVID-19) a tertiary care hospital Lahore.Study Design: Descriptive study.
Abstract Calcium (Ca 2+ ) has been observed as the most important ion involved in a series of cellular processes and its homeostasis is critical for normal functions. Mitochondrial calcium uniporter (MCU) complex recognized calcium‐specific channel located inner mitochondrial membrane one major players maintaining Ca by transporting across membrane. Furthermore, dysregulation orchestrated to neurodegenerative response. This necessitates quantitative evaluation MCU‐dependent mROS production...
Introduction: Hydronephrosis (HN) refers to the dilation of pelvicalyceal system. The current study aims evaluate various presentations and causes HN in children adults with help ultrasound (US) as primary diagnostic modality. Methodology: This cross-sectional prospective was conducted a tertiary care hospital Lahore, Pakistan on patients between 0-70 years age, who were diagnosed US. Data collected using self-designed proforma including gender, symptomatology, anthropometry. Percentages...
Model complexes [MoVIO2(S2C2Me2)SMe]− (A, derived from the X-ray crystal structure of native sulfite oxidase (SO)) and [MoVIO2(mnt)2]2− (B, coordination mode similar to active site selenate reductase (SeR)) were computed at COSMO-B3LYP/SDDp//B3LYP/Lanl2DZ(p) energy level Density Functional Theory in order study their behavior oxidation selenite (SeIV) (SIV) (SeVI) sulfate (SVI), respectively. For sulfite, computational model A, which resembles SO site, is clearly best choice (lowest barrier,...
Study carried out in Radiology Department of Jinnah Hospital Lahore on four patients with age ranges from 3546 years revealed that the Saline Infusion Sonohysterography plays an important role diagnosing endometrial abnormalities especially Endometrial Polyps women`s complaint intermenstural bleeding. requires minimal patient`s preparation, has few complications & is well tolerated by patients. Given its advantages over other techniques for uterine evaluation, will play even larger...
1. Abstract Urokinase type plasminogen activator is expected to play a significant role in metastasis therefore various inhibitors are being prepared for this target protein. However, the binding site with residues that involved and inhibition unidentified. Hence, comprehensive computational techniques applied finding pocket, important amino acid characterization of energy best ligand among seven novel boronic derivative within pocket. Among test compounds, C 14 H 21 BN 2 O S showed results...