| 1. |
- Khalid, Muhammad, et al.
(författare)
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Frontier molecular, natural bond orbital, UV-VIS spectral study, solvent influence on geometric parameters, vibrational frequencies and solvation energies of 8-hydroxyquinoline
- 2017
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Ingår i: International Journal of Pharmaceutical Sciences and Research. - : International Journal of Pharmaceutical Sciences and Research. - 0975-8232. ; 8:2, s. 457-469
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Tidskriftsartikel (refereegranskat)abstract
- N-heterocyclic compounds have extensive biological and pharmaceutical applications. 8-Hydroxyquinoline (8-HQ) also plays a significant role in many fields of life. The excellent biological significance of the 8-HQ prompted us to extend the DFT based studies. The frontier molecular orbitals (FMOs), UV-VIS and solvation model based studies remained unknown. Therefore, we intended to study the natural bond orbital, FMOs, UV-VIS, thermodynamic properties and medium influence on solvation energies, dipole moment, FTIR and FT-Raman using polarizable continuum model (PCM) and density-based solvation model (SMD). The electronic properties of molecule were calculated by M06-2X/6-31G (d,P) and B3LYP/6-31G (d,p) level of theories. The solvent influence on the geometric parameters, FT-IR and FT-Raman were studied by B3LYP /6-31G(d) method. A good correspondence is found between the optimized parameters and the reported X-ray data. Natural bond orbital reveals that the maximum stabilization energy reached up to 39.64kJ/mol which is responsible for extra stability of the molecule. In solvated 8-HQ, a significant medium effects on FT-IR and FT-Raman intensities is observed. The intensities enhanced from gas to solvent phase. The solvation free energies are found to be -28.710 and -39.456 kJ/mol in PCM and SMD models respectively. FMOs suggested that this molecule contain less hardness and larger softness values. These findings reveal that the molecule might be bioactive.
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| 2. |
- Usman, Muhammad, et al.
(författare)
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Use of Gasoline, LPG and LPG-HHO Blend in SI Engine : A Comparative Performance for Emission Control and Sustainable Environment
- 2020
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Ingår i: Processes. - : MDPI. - 2227-9717. ; 8:1
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Tidskriftsartikel (refereegranskat)abstract
- The rising global warming concerns and explosive degradation of the environment requires the mainstream utilization of alternative fuels, such as hydroxy gas (HHO) which presents itself as a viable substitute for extracting the benefits of hydrogen. Therefore, an experimental study of the performance and emission characteristics of alternative fuels in contrast to conventional gasoline was undertaken. For experimentation, a spark ignition engine was run on a multitude of fuels comprising of gasoline, Liquefied petroleum gas (LPG) and hybrid blend of HHO with LPG. The engine was operated at 60% open throttle with engine speed ranging from 1600 rpm to 3400 rpm. Simultaneously, the corresponding performance parameters including brake specific fuel consumption, brake power and brake thermal efficiency were investigated. Emission levels of CO, CO2, HC and NOx were quantified in the specified speed range. To check the suitability of the acquired experimental data, it was subjected to a Weibull distribution fit. Enhanced performance efficiency and reduced emissions were observed with the combustion of the hybrid mixture of LPG with HHO in comparison to LPG: on average, brake power increased by 7% while the brake specific fuel consumption reduced by 15%. On the other hand, emissions relative to LPG decreased by 21%, 9% and 21.8% in cases of CO, CO2, and unburned hydrocarbons respectively. Incorporating alternative fuels would not only imply reduced dependency on conventional fuels but would also contribute to their sustainability for future generations. Simultaneously, the decrease in harmful environmental pollutants would help to mitigate and combat the threats of climate change.
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| 3. |
- Farooq, Muhammad, et al.
(författare)
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Thermodynamic Performance Analysis of Hydrofluoroolefins (HFO) Refrigerants in Commercial Air-Conditioning Systems for Sustainable Environment
- 2020
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Ingår i: Processes. - : MDPI. - 2227-9717. ; 8:2
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Tidskriftsartikel (refereegranskat)abstract
- Global warming is one of most severe environmental concerns that our planet is facing today. One of its causes is the previous generation of refrigerants that, upon release, remain in the atmosphere for longer periods and contribute towards global warming. This issue could potentially be solved by replacing the previous generation's high global warming potential (GWP) refrigerants with environmentally friendly refrigerants. This scenario requires an analysis of new refrigerants for a comparison of the thermodynamic properties of the previously used refrigerants. In the present research, a numerical study was conducted to analyze the thermodynamic performance of specifically low GWP hydrofluoroolefens (HFO) refrigerants for an actual vapor compression refrigeration cycle (VCRC) with a constant degree of 3 K superheat. The output parameters included the refrigeration effect, compressor work input, the coefficient of performance (COP), and the volumetric refrigeration capacity (VRC), all of which were calculated by varying the condenser pressure from 6 to 12 bars and vapor pressure from 0.7 to 1.9 bars. Results showed that R1234ze(Z) clearly possessed the desired thermodynamic performance. The drop in refrigeration effect for R1234ze(Z) was merely 14.6% less than that of R134a at a 12 bar condenser pressure; this was minimum drop among candidate refrigerants. The drop in the COP was the minimum for R1234ze(Z)-5.1% less than that of R134a at a 9 bar condenser pressure and 4.7% less than that of R134a at a 1.9 bar evaporator pressure, whereas the COP values of the other refrigerants dropped more drastically at higher condenser pressures. R1234ze(Z) possessed favorable thermodynamic characteristics, with a GWP of 7, and it can serve as an alternative refrigerant for refrigeration systems for a sustainable environment.
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| 4. |
- Naqvi, Salman Raza, et al.
(författare)
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Agro-industrial residue gasification feasibility in captive power plants : A South-Asian case study
- 2021
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Ingår i: Energy. - : Elsevier. - 0360-5442 .- 1873-6785. ; 214
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Tidskriftsartikel (refereegranskat)abstract
- The objective of this study is to build knowledge on the potential of agro-industrial residue gasification (AIRG) for use in captive power generation through a comprehensive case study. In order to evaluate the economic viability, key performance indicators, such as net present value (NPV), levelized cost of electricity (LCOE), and operating costs etc. are studied. The major textile industry located in the Raiwind area of Punjab province of Pakistan has been selected. The effect and variations of the capacity factor has also been studied coupled with the levelized cost of electricity. The agricultural residue as feedstock to the gasifier is rice husk that is the abundantly available in South Asia. Furthermore, the impact of government subsidies on natural gas is also under the scope of the study. The agro-industrial residue gasification system is found to be a potential alternative to furnace oil (FO) or gas-based captive power plants (CPPs). The results of residue-based gasification system imply a large potential when comparing the cost of electricity with national grid electricity during the peak hours. Therefore, the proposed gasification system offers economic incentives when the textile industry potentially utilizes gasification-based electricity during peak hours and national grid electricity during off-peak hours. (C) 2020 Elsevier Ltd. All rights reserved.
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| 5. |
- Naqvi, Salman Raza, et al.
(författare)
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Potential of biomass for bioenergy in Pakistan based on present case and future perspectives
- 2018
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Ingår i: Renewable & sustainable energy reviews. - : Elsevier. - 1364-0321 .- 1879-0690. ; 81:1, s. 1247-1258
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Forskningsöversikt (refereegranskat)abstract
- Future energy security and environmental issues are major driving forces for increased biomass utilization globally and especially in developing countries like Pakistan. For efficient utilization of indigenous biomass resources in the future energy mix, it is important to gain knowledge of current energy system in various sectors. Some of the technologies and initiatives are under development to achieve transition from non-renewable resources to renewable resources, and reducing fossil fuel dependency and greenhouse gas emissions. Recently, number of proposals has been presented for the development of sustainable biofuels production methods for promise for accelerating a shift away from an unsustainable approach to possible sustainable production practices or a sustainable social, economic and environment. This article presents an extensive literature review of the biomass-based renewable energy potential in Pakistan based on current energy scenario and future perspectives. It also highlights the availability of the indigenous and local biomass resources and potential biomass conversion technologies to convert such resources to bioenergy. The drivers for utilization of indigenous biomass resources in future energy mix and challenges regarding awareness among stakeholders and R & D to fill knowledge gaps are economically restraints. The article concludes with suggestions on future directions and policies for effective implementation of biomass based renewable energy production.
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| 6. |
- Sarfraz, Amina, et al.
(författare)
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Catalytic Effect of Silicon Carbide on the Composite Anode of Fuel Cells
- 2021
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Ingår i: ACS Applied Energy Materials. - : AMER CHEMICAL SOC. - 2574-0962. ; 4:7, s. 6436-6444
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Tidskriftsartikel (refereegranskat)abstract
- High efficiency, fuel flexibility, and sustainable energy conversion make fuel cells attractive compared to conventional energy systems. The direct ethanol fuel cells have attracted much attention because of the direct utilization of ethanol fuel. Anode materials are required to enhance the catalytic activity of the liquid fuel, which oxidize the fuel at lower operating temperature. Therefore, the catalytic effect using silicon carbide has been investigated in the LiNiO2-delta anode. The material has been characterized, and it is found that SiC shows a cubic structure and LiNiO2-delta exhibits a hexagonal structure, while the LiNiO2-delta-SiC composite exhibits a mixed cubic and hexagonal phase. Scanning electron microscopy depicts that the material is porous. The Fourier transform infrared spectroscopy analysis shows the presence of Si-O-Si, Si-C, C=O, and Si-OH bonding. The LiNiO2-delta-SiC composite (1:0.3) exhibited a maximum electrical conductivity of 1.34 S cm(-1) at 650 degrees C with an electrical band gap of 0.84 eV. The fabricated cell with the LiNiO2-delta-SiC anode exhibits a power density of 0.20 W cm(-2) at 650 degrees C with liquid ethanol fuel. The results show that there is a promising catalytic activity of SiC in the fuel cell anode.
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| 7. |
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- 2019
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Tidskriftsartikel (refereegranskat)
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| 8. |
- Abodayeh, Kamaleldin, et al.
(författare)
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Stochastic Numerical Analysis for Impact of Heavy Alcohol Consumption on Transmission Dynamics of Gonorrhoea Epidemic
- 2020
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Ingår i: Computers, Materials and Continua. - : TECH SCIENCE PRESS. - 1546-2218 .- 1546-2226. ; 62:3, s. 1125-1142
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Tidskriftsartikel (refereegranskat)abstract
- This paper aims to perform a comparison of deterministic and stochastic models. The stochastic modelling is a more realistic way to study the dynamics of gonorrhoea infection as compared to its corresponding deterministic model. Also, the deterministic solution is itself mean of the stochastic solution of the model. For numerical analysis, first, we developed some explicit stochastic methods, but unfortunately, they do not remain consistent in certain situations. Then we proposed an implicitly driven explicit method for stochastic heavy alcohol epidemic model. The proposed method is independent of the choice of parameters and behaves well in all scenarios. So, some theorems and simulations are presented in support of the article.
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| 9. |
- Arslan, Muhammad, et al.
(författare)
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Impact of Varying Load Conditions and Cooling Energy Comparison of a Double-Inlet Pulse Tube Refrigerator
- 2020
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Ingår i: Processes. - : MDPI. - 2227-9717. ; 8:3
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Tidskriftsartikel (refereegranskat)abstract
- Modeling and optimization of a double-inlet pulse tube refrigerator (DIPTR) is very difficult due to its geometry and nature. The objective of this paper was to optimize-DIPTR through experiments with the cold heat exchanger (CHX) along the comparison of cooling load with experimental data using different boundary conditions. To predict its performance, a detailed two-dimensional DIPTR model was developed. A double-drop pulse pipe cooler was used for solving continuity, dynamic and power calculations. External conditions for applicable boundaries include sinusoidal pressure from an end of the tube from a user-defined function and constant temperature or limitations of thermal flux within the outer walls of exchanger walls under colder conditions. The results of the system's cooling behavior were reported, along with the connection between the mass flow rates, heat distribution along pulse tube and cold-end pressure, the cooler load's wall temp profile and cooler loads with varied boundary conditions i.e. opening of 20% double-inlet and 40-60% orifice valves, respectively. Different loading conditions of 1 and 5W were applied on the CHX. At 150 K temperature of the cold-end heat exchanger, a maximum load of 3.7 W was achieved. The results also reveal a strong correlation between computational fluid dynamics modeling results and experimental results of the DIPTR.
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| 10. |
- Habiba, Umme, et al.
(författare)
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Differential Treatment Responses in Pakistani Schizophrenia Samples: Correlation with Sociodemographic Parameters, Drug Addiction, Attitude to the Treatment and Antipsychotic Agents
- 2023
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Ingår i: Brain Sciences. - : MDPI AG. - 2076-3425. ; 13:407, s. 1-25
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Tidskriftsartikel (refereegranskat)abstract
- Schizophrenia patients demonstrate variations in response to different therapies that are currently being used for the treatment of disorders, such as augmentation therapy (ECT or mood stabilizer) and combination therapy (with antipsychotics). These therapies are also used to treat schizophrenia patients in Pakistan; however, patients show poor overall response. Therefore, this study was conducted to investigate the association between the patients’ response to treatment and the use of antipsychotic agents, with variability in overall response, within different groups of patients. Methods: We conducted a retrospective study that included schizophrenia subjects (N = 200) belonging to different age groups, ethnicities, and regions from different outpatient and inpatient departments in psychiatric institutes located in different cities of Pakistan. These patients were assessed for their response to treatment therapies and categorized into four groups (non-responders (N-R), slow response (S-R), patients with relapse, and completely recovered patients (C-R)) according to their responses. Results: The final analysis included 200 subjects, of which 73.5% were males. Mean age was 34 ± 10 years. Percentage of N-R was 5%, S-R was 42%, patients with relapse were 24%, and C-R was 1.5%. The generalized linear regression model shows a significant association between medication response and age (p = 0.0231), age of onset (p = 0.0086), gender (p = 0.005), and marital status (p = 0.00169). Variability within the medication responses was a result of the treatment regime followed. Antipsychotic agents were significantly associated with the treatment response (p = 0.00258, F = 4.981) of the patients. Significant variation was also observed in the treatment response (p = 0.00128) of the patients that were given augmentation therapy as well as combination therapy. Conclusion: The data suggests proper monitoring of patients’ behavior in response to treatment therapies to implement tailored interventions. Despite several genetic studies supporting the heritability of schizophrenia, an insignificant association between characteristic features and family history might have been due to the limited sample size, suggesting collaborative work with massive sample sizes.
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