Women University Swabi is a public university situated in Swabi, Khyber Pakhtunkhwa, Pakistan. The university is run by the provincial government and was founded in 2016.
The development of efficient, stable, and cost-effective single-atom catalysts (SACs) is crucial for advancing sustainable energy technologies such as water splitting and metal-air batteries. Two-dimensional (2D) metal phthalocyanine sheets (s-MPc) present a promising platform with their well-defined, high-density active sites, but comprehensive screening for their bifunctional catalytic activity and electrochemical stability is lacking. Herein, we conducted a systematic first-principles density functional theory (DFT) study to screen a series of s-MPc (M = Sc to Zn) as trifunctional electrocatalysts for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR). Our stability analysis, based on formation energy, dissolution potential, and surface Pourbaix diagrams, identifies s-VPc, s-MnPc, s-FePc, s-CoPc, s-NiPc, and s-CuPc as electrochemically stable across all pH conditions. Catalysts' performance evaluation reveals distinct optimal candidates: s-MnPc and s-VPc exhibit superior HER activity with near-optimal hydrogen adsorption energies (Delta G H*), while s-VPc and s-CuPc demonstrated outstanding OER performance with low overpotentials of 0.41 and 0.49 V, respectively, rivaling IrO2. For the ORR, s-CoPc and s-MnPc emerge as the most active, with low overpotentials comparable to those of the Pt(111) surface. Consequently, we identify s-VPc as an excellent bifunctional catalyst for the HER/OER and s-CoPc and s-CuPc for the OER/ORR. Supervised machine learning (ML) is employed on a set of atomic and electronic descriptors to classify the efficiency of s-MPc sheets for the HER/OER/ORR, with the KNN model demonstrating superior predictive performance. This work not only highlights specific high-performance s-MPc candidates but also establishes a robust computational framework for the design and screening of durable, high-activity single-atom electrocatalysts.
Drought stress significantly limits rice (Oryza sativa L.) growth and nutrient uptake. This study evaluated the effect of lysinechelated zinc (LCZ) on mitigating drought-induced stress in callus tissues of two rice genotypes, Bas-370 and Kashmir Basmati. One-month-old calli were treated for 15 days with polyethylene glycol (PEG) to simulate drought stress (0%, 10%, and 20% PEG), both with and without 20 & micro;M LCZ, under controlled conditions. PEG-induced stress led to a substantial reduction in callus fresh weight, relative growth rate (RGR), and the uptake of key nutrients, including phosphorus (P), manganese (Mn), magnesium (Mg), and iron (Fe). In contrast, LCZ treatment improved callus growth and partially restored nutrient uptake under drought conditions. The results suggest that LCZ can alleviate osmotic stress effects at the cellular level and support nutrient assimilation. These findings indicate the potential of LCZ as a supplement to enhance drought resilience in rice, though further validation in whole plants is recommended.
A deterministic six-compartmental model has been built to explain the transmission dynamics of MPox. The population has been divided into six epidemiological classes: susceptible S(t), exposed E(t), infected I(t), vaccinated V(t), quarantined Q(t), and recovered R(t). Control measures like vaccination and quarantine have been included, and natural and disease-induced mortality have been taken into account. The boundedness and positivity of the model solutions have been proven to guarantee well-posedness in a biologically reasonable region. The basic reproduction number R-0 has been obtained to represent the threshold dynamics of the system. It has been revealed that for R-0 < 1, the disease-free equilibrium is stable and the disease will eventually disappear. Conversely, when R-0 > 1, the infection continues to circulate in the population, and the system has a stable endemic equilibrium.Both the equilibria have been demonstrated to exist and be stable for appropriate parametric conditions. Sensitivity analysis has also been carried out to determine the impact of significant epidemiological parameters on R-0 . In addition, the possibility of forward bifurcation has been explored, with the implication of potential multiple endemic equilibria when R-0 < 1. Numerical simulations have been carried out to illustrate the qualitative dynamics of the system.
Virulence factors can vary between Shigella (S.) flexneri serotypes. The current study characterized virulence genes among 199 S. flexneri from different serotypes in Peshawar, Khyber Pakhtunkhwa Province, Pakistan, by sequence analysis. Moreover, using the homology model, the 3D protein structure of the serine autotransporter toxin (sat) from S. flexneri was examined for the first time to determine structural changes in the mutant sat protein. Interestingly, the present study reported that ial(spa29/spaR) gene has not shown any relationship to the previously known sequence of S. flexneri, but it has a striking resemblance to previously reported cases that were identified in Shigella dysenteriae and Escherichia coli. Furthermore, 15 strains of S. flexneri, all of which are members of serotype 7a, were found to carry the single-point mutation (G246A) in sat, which resulted in an exchange of amino acid (Gly82Arg). Preliminary data reveal a potential link between the sat gene mutation and severe clinical illness patients; however additional study is needed to verify this relation. Overall, the results of the mutant sat proteins homology model validation showed a slight, but not significant, alteration in protein structure.
Livestock plays a vital role in Afghanistan’s economy and food security. Livestock sector is supporting livelihoods for over 60
