| 1. |
- Mushtaq, Afshan, et al.
(author)
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Catalytic oxidative desulfurization of thio-compounds by employing χ-Anderson-type polyoxometalates-porphyrin covalent organic framework (COF)
- 2023
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In: Tetrahedron. - : Elsevier. - 0040-4020 .- 1464-5416. ; 144
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Journal article (peer-reviewed)abstract
- Severe environmental sulfur contents due to the consumption of fuels in automobiles and industries resulted in serious health hazards and pollution because of it, desulfurization of diesel become inevitable. Targeting the profound desulfurization of diesel, we performed experiments to deeply desulphurized the thio-compounds by catalytic-oxidative desulfurization technique. We synthesized new metalloporphyrin (C52H36N4O8Sn)4MeO-SnPor which after conversion into (C64H64N8O16Sn)4Tris-SnTP leading towards the synthesis of covalent organic framework [(N(C4H9)4]12[HNC(CH2O)3]4[(CO)4C44H24N4Sn] [NiMo6O18]4(SnTP@NiAdCOF). SnTP@NiAd COF showed the outstanding catalytic property for deep desulfurization of thio-compounds above than 96% of thiobenzoic acid (TB) and 99% of 2-aminothiophenol (2-ATP) sulfur contents were oxides after 100 min of reaction using H2O2 as an oxidant at room temperature with constant stirring. During desulfurization percentage desulfurization efficiency was checked for different time intervals by TLC and further confirmed by reverse phase high-performance liquid chromatography (RP-HPLC). Reverse-phase high-performance liquid chromatograms indicated that the peak area and peak height of thio-compounds decrease gradually with the passage of reaction time which confirmed the removal of thio-compounds from the reaction mixture. Sulfur contents removed up to 5 ppmw showed excellent catalytic characteristics of synthesized SnTP@NiAdCOF. The exceptional catalytic efficiency of prepared catalyst SnTP@NiAdCOF was because of the existence of active oxidizing centers of χ-NiAd and metalloporphyrin that are MoO and [(Por)SnII], respectively. The potential mechanism appeared to be the formation of Mo(O2) and [(Por)SnII–OOH] from MoO and [(Por)SnII], respectively that act as active oxidizing centers and efficiently converted the thio-group into oxides and sulfones. Effective removal of sulfur grants the desulfurization of fuels by using SnTP@NiAdCOF catalyst to lessen the energy expenditure and also to enhance the production of environmentally-safe fuels.
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| 2. |
- Abdullah, Muhammad Imran, et al.
(author)
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Quantum Chemical Designing of Efficient Sensitizers for Dye Sensitized Solar Cells
- 2013
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In: Bulletin of the Korean Chemical Society (Print). - : Korean Chemical Society. - 0253-2964 .- 1229-5949. ; 34:7, s. 2093-2098
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Journal article (peer-reviewed)abstract
- Density functional theory (DFT) was used to determine the ground state geometries of indigo and new design dyes (IM-Dye-1 IM-Dye-2 and IM-Dye-3). The time dependant density functional theory (TDDFT) was used to calculate the excitation energies. All the calculations were performed in both gas and solvent phase. The LUMO energies of all the dyes were above the conduction band of TiO2, while the HOMOs were below the redox couple (except IM-Dye-3). The HOMO-LUMO energy gaps of new design dyes were smaller as compared to indigo. All new design dyes were strongly red shifted as compared to indigo. The improved light harvesting efficiency (LHE) and free energy change of electron injection Delta G(inject) of new designed sensitizers revealed that these materials would be excellent sensitizers. The broken coplanarity between the benzene near anchoring group having LUMO and the last benzene attached to TPA unit in all new design dyes consequently would hamper the recombination reaction. This theoretical designing will the pave way for experimentalists to synthesize the efficient sensitizers for solar cells.
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| 3. |
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| 4. |
- Muhammad, Noor, et al.
(author)
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Novel mutations in MPT64 secretory protein of Mycobacterium tuberculosis complex
- 2023
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In: International Journal of Environmental Research and Public Health. - : MDPI. - 1661-7827 .- 1660-4601. ; 20:3
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Journal article (peer-reviewed)abstract
- Tuberculosis (TB) is a global health problem caused by the Mycobacterium tuberculosis complex (MTBC). These bacteria secrete various proteins involved in the pathogenesis and persistence of MTBC. Among the secretory proteins, MPT64 (Rv1980C) is highly conserved and is also known as a major culture filtrate that is used in rapid diagnosis of MTBC. In the current study, we aimed to find the mutation in this highly conserved protein in isolates from the Pashtun-dominant province of Pakistan. We analyzed 470 M. tuberculosis whole-genome sequences of Khyber Pakhtunkhwa Province. Mutations in the MPT64 gene were screened through TB-Profiler and BioEdit software tools. The DynaMut web server was used to analyze the impact of the mutation on protein dynamics and stability. Among 470 MTB genomes, three non-synonymous mutations were detected in nine isolates, and one synonymous mutation (G208A) was found in four isolates. Mutation G211T (F159L), which was detected at the C-terminal domain of the protein in six isolates, was the most prominent. The second novel mutation, T480C (I70V), was detected in two isolates at the C-terminal side of the protein structure. The third novel mutation, A491C (L66R), was detected in a single isolate at the N-terminal side of the MPT64 protein. The effect of these three mutations was destabilizing on the protein structure. The molecular flexibility of the first two mutations increased, and the last one decreased. MPT64 is a highly conserved secretory protein, harboring only a few mutations. This study provides useful information for better managing the diagnosis of MTB isolates in high TB-burden countries.
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| 5. |
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| 6. |
- Shakir, Nida, et al.
(author)
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Pirarubicin loaded biodegradable nanoparticles downregulate IL-6, COX-II and TNF-alpha along with oxidative stress markers in comparison to conventional pirarubicin in healthy albino rats
- 2023
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In: Journal of Drug Delivery Science and Technology. - : Elsevier. - 1773-2247. ; 84
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Journal article (peer-reviewed)abstract
- Pirarubicin (PRB) is an anthracycline antibiotic that has shown equal or superior cytotoxicity compared to doxorubicin. However, the detailed toxicological profile for Pirarubicin has not yet been investigated. The present study was designed to access the acute and chronic toxicity of the nanoformulation coupled with in-flammatory and oxidative stress responses. PRB was encapsulated in PLGA nanoparticles and was physico-chemically evaluated. The nanoparticle size was found to be 420.0 +/- 8.2 nm with an encapsulation efficiency of 80.3 +/- 3.1%. The SEM images showed spherical nanoparticles while the drug release in PBS (pH 7.4) was estimated to be 72.5 +/- 3.5%. Acute toxicity in female albino rats was conducted for 14 days at two dosage levels (i.e., 5 and 300 mg/kg) once a week through an intravenous route. A repeated toxicity study was conducted for 28 days at 3 different dosage levels (i.e., 30, 60 and 100 mg/kg) weekly. No mortality was observed during the experimentation period. Toxicity assessment of body weights, hematological parameters, blood biochemistry, histopathological evaluation of internal organs and relative organ weight percentage was done. Inflammatory markers quantification (COX-II, TNF-alpha, IL-6) along with the generation of oxidative stress (SOD, GSH-ST, GSH-PX, MDA, and H2O2) was also investigated in a repeated 28 days toxicity study. The nanoformulation did not have any effect on the behavioral pattern, food, water consumption or body weights. The abnormalities in function and morphology of the organs produced by nano-formulated PRB were dose-dependent and reversible. The serum sample of rats treated with nanoparticles exhibited a non-significant difference in levels of COX-II, TNF-alpha, and IL-6 as compared to the normal saline (NS) group. Altogether the results offered us evidence about the safety profile of Pirarubicin loaded PLGA nanoparticles (PRB-NP) as compared to PRB alone.
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| 7. |
- Amin, Muhammad Umair, et al.
(author)
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Co-delivery of carbonic anhydrase IX inhibitor and doxorubicin as a promising approach to address hypoxia-induced chemoresistance
- 2022
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In: Drug Delivery. - : Informa UK Limited. - 1071-7544 .- 1521-0464. ; 29:1, s. 2072-2085
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Journal article (peer-reviewed)abstract
- Hypoxia, an oxygen-deprived condition of the tumor, is one of the major reasons for resistance to chemotherapy. Carbonic anhydrases are generally involved in pH homeostasis in normal conditions, but in solid tumors having a strong relation with hypoxia, the carbonic anhydrase IX (CA-IX) enzyme is overexpressed and results in an extracellular acidic environment. For most weakly basic anticancer drugs, including doxorubicin (Dox), the ionization in an acidic environment limits their cellular uptake, and consequently, the tumor exposure to the drug at sub-therapeutic concentration comes out as chemoresistance. Herein, a combined drug delivery system of liposomes and mesoporous silica nanoparticles (MSNPs) was developed for the co-delivery of the CA-IX enzyme inhibitor and Dox in hypoxic condition. The unique structure of MSNPs with higher surface area was utilized for higher drug loading and sustained release of Dox. Additionally, the biocompatible nature of liposomal coating as a second loading site for the CA-IX enzyme inhibitor has provided gatekeeping effects at pore opening to avoid premature drug release. Lipid coated MSNPs as a co-delivery system for Dox and the CA-IX inhibitor have synergistic cytotoxic effects against MDA-MB 231 breast cancer cells in hypoxic conditions. These findings assure the potential of this drug delivery system to overcome hypoxia-related chemoresistance.
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| 8. |
- Amin, Muhammad Umair, et al.
(author)
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Ultrasound-Responsive Smart Drug Delivery System of Lipid Coated Mesoporous Silica Nanoparticles
- 2021
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In: Pharmaceutics. - : MDPI. - 1999-4923. ; 13:9
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Journal article (peer-reviewed)abstract
- The immediate release of chemotherapeutics at the target site, along with no premature release in circulation is always challenging. The purpose of this study was to develop a stimuli responsive drug delivery system, composed of lipid supported mesoporous silica nanoparticles (MSNPs) for triggered drug release at the target site and simultaneously avoiding the premature release. MSNPs with a higher drug loading capacity and very slow release were designed so as to enhance release by FDA approved US-irradiation. Doxorubicin, as a model drug, and perfluoropentane (PFP) as a US responsive material, were entrapped in the porous structure of MSNPs. Lipid coating enhanced the cellular uptake and in addition provided a gatekeeping effect at the pore opening to reduce premature release. The mechanical and thermal effects of US induced the conversion of liquid PFP to a gaseous form that was able to rupture the lipid layer, resulting in triggered drug release. The prolonged stability profile and non-toxic behavior made them suitable candidate for the delivery of anticancer drugs. This smart system, with the abilities of better cellular uptake and higher cytotoxic effects on US-irradiation, would be a good addition to the applied side of chemotherapeutic advanced drug delivery systems.
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| 9. |
- Hussain, Sajid, et al.
(author)
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Families of Extended Exponentiated Generalized Distributions and Applications of Medical Data Using Burr III Extended Exponentiated Weibull Distribution
- 2023
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In: Mathematics. - 2227-7390. ; 11:14
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Journal article (peer-reviewed)abstract
- In this article, four new families named as Weibull extended exponentiated-X (WEE-X), Lomax extended exponentiated-X (LEE-X), Logistic extended exponentiated-X (LGCEE-X), and Burr III extended exponentiated-X (BIIIEE-X) with their quantile functions are proposed. The expressions for distribution function and density function of BIIIEE-X family are written in terms of linear combinations of the exponentiated densities based to parent model. New models, i.e., Weibul extended exponentiated Weibull (WEEW), Lomax extended exponentiated Weibull (LEEW), Logistic extended exponentiated Weibull (LGCEEW), and Burr III extended exponentiated-Weibull (BIIIEEW) distributions are derived, were plotted for functions of probability density and hazard rate at different levels of parameters. Some mathematical properties of the BIIIEEW model are disclosed. The maximum likelihood method for the BIIIEEW model are described. Numerical applications of the BIIIEEW model to disease of cancer datasets are provided.
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| 10. |
- Hussain, Sajid, et al.
(author)
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The Exponentiated Power Alpha Index Generalized Family of Distributions : Properties and Applications
- 2023
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In: Mathematics. - : MDPI AG. - 2227-7390. ; 11:4, s. 900-900
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Journal article (peer-reviewed)abstract
- The study of hydrological characteristics has a vital role in designing, planning, and managing water resources. The selection of appropriate probability distributions and methods of estimations are basic elements in hydrology analyses. In this article, a new family named the ‘exponentiated power alpha index generalized’ (EPAIG)-G is proposed to develop several new distributions. Using this proposed family, we developed a new model, called the EPAIG-exponential (EPAIG-E). A few structural properties of the EPAIG-G were obtained. The EPAIG-E parameters were estimated through the method of maximum likelihood (MML). The study of the Monte Carlo simulation (MCS) was produced for the EPAIG-E. The model performance is illustrated using real data.
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