https://qjps.qu.edu.iq/ Al-Qadisiyah Journal of Pure Science en daily 1 Wed, 01 Jul 2026 00:00:00 +0330 Wed, 01 Jul 2026 00:00:00 +0330 https://qjps.qu.edu.iq/article_192148.html Exohedral-fullerene has drawn much interest in studying metal complexes of organic molecules. In this work, we used Density Functional Theory (B3LYP-DFT) to investigate the structural, electronic and optical properties of exohedral-metallofullerene. We confirm that these properties can be tuned by varying the transition metal over the set of Co, Cu, Fe, Ni, Pt, and Ru atoms, bounded on the top of external surface of fullerene cage in three central positions: Diatomic π-bond, hexagon and pentagon. The Frontier molecular orbital distribution reveals that the doped C60 fullerene by these metals can predict the electronic properties, including ionization potential, electronic affinity, energy gap, electronegativity, hardness, softness, density of states and dipole moment, referring greater potential for molecular interaction. To characterize the optical performance of molecules in the context of time-dependent of DFT, we looked at their absorption spectra in the UV and IR. We found that the six metal atoms are able to tune the optical properties of the complex molecules, providing an insight into sensitivity of doping in the fullerene cage. In the most cases, the favorite positions of the metal atoms can be found on the pentagon and hexagon of the outer surface of the C60. These calculations show that exohedral metallo-fullerenes introduce a new family of electronic and optoelectronic materials with attractive features, which makes those of all metallo-fullerenes for molecular electronic devices and their functionalization. https://qjps.qu.edu.iq/article_192192.html ABSTRACTThe Ligand (I) was synthesized: N,P,P-triphenylphosphinothioic amide according to the reaction of diphenylphosphinothioic chloride with aniline, And the ligand (II) was synthesized: O,O-diphenyl phenylamidothiophosphate according to the reaction of O,O-diphenyl chlorothiophosphate with aniline.The correlations were identified by infrared spectroscopy FT-IR and proton magnetic resonance spectroscopy H-NMR, And identified some of the physical properties, such as: melting point, dissolution and color.The Ligand were used to extract some of the transition metal ions from their aqueous media, studied the optimum time for extraction, which varied according to the associated and by meta. Study the variations of the logarithm of the distribution factor D in terms of the logarithm of the associated concentration and determine the ratio (Metal- Ligand)(1:2).The percentage changes of the extraction were studied in terms of the changes in the pH, the effect of the place used was studied, and the comparison of the correlations with the extractive power was studied. https://qjps.qu.edu.iq/article_192194.html Current Quantile approaches relay on the asymmetric laplace distribution, which usually requires the solving of large matrix equations at every step that beomes very complex as the data size grows. To fix this, a faster method for high-dimensional Bayesian quantile regression is introduced. This method works directly on the posterior distribution without extra latent variables. By using a Horseshoe prior as the proposal, this algorithm avoids costly matrix operations. This reduces the computational cost from cubic O(p^3 ) to linear O(np) complexity. Tests on real and simulation data show that this method is much faster and more efficient than existing techniques. https://qjps.qu.edu.iq/article_192195.html In this research was our fundamental objective is to proving certain fixed point (F.P) and common (F. P) results in partial b-metric space (P. B. M. S). the results that we obtained it was generalization and improvement some recent results of (F.P) theorems in (P. B. M. S).In this research was our fundamental objective is to proving certain fixed point (F.P) and common (F. P) results in partial b-metric space (P. B. M. S). the results that we obtained it was generalization and improvement some recent results of (F.P) theorems in (P. B. M. S).In this research was our fundamental objective is to proving certain fixed point (F.P) and common (F. P) results in partial b-metric space (P. B. M. S). the results that we obtained it was generalization and improvement some recent results of (F.P) theorems in (P. B. M. S). https://qjps.qu.edu.iq/article_192196.html In the present paper, we introduce a new subclass of meromorphic univalent functions, which are defined by quantum calculus. We define the class P(n,q,λ,α) of meromorphic univalent functions and explore its significant geometric and analytic properties.We obtain coefficient estimates, and establish distortion bounds for functions in this class. Further we prove closure theorems and examine their behavior under Hadamard products, We also determine the radii of starlikeness, convexity and close to convexity for function in this class. Further we study a class preserving integral operator. Finally, we determine partial sums for the functions of this class, along with their convergence and geometric characteristics. https://qjps.qu.edu.iq/article_192198.html Infertility is a multi-faceted condition affect couples around the world and related to hormonal and metabolic imbalances among women. Aim: compare hormonal data between infertile women and controls. Methodology: A clinical trial conducted at Al-Kadhimiya Teaching Hospital (Umm Al-Baneen Centers for Infertility and IVF), 100 samples were collected, 60 patients, forty control individual of age group between 20-40 years aged. We tested all of them on second day of menstrual cycle. and determination of follicle-stimulating hormone (FSH), luteinising hormone (LH), anti-FSH, testosterone and prolactin. Demographic information such as age and weight also was gathered. Results: There was a significant increase in serum FSH, LH, Anti-FSH and prolactin levels in the infertile subjects when compared with controls (P ≤ 0.01), testosterone was high also in patients; but not significant difference. In addition, the patients were overweight which shows that obesity maybe one of causes determining infertility. These findings suggest that hormonal imbalance may be involved in infertility and the evaluation of hormonal dynamics should be considered for clinical study and management of female reproduction. And research in this area also revealed that the immune system is key for fertility- and not merely with regard to implantation of an embryo in a woman’s uterus but also it comes to semen quality and sperm function. Conclusions: Hormone profiles and anti- FSH antibodies may be useful diagnostic tools in the feminine infertility work-up. Control monitoring of these parameters may assist in the optimization of clinical results and help tailor treatment of the individual patient. https://qjps.qu.edu.iq/article_192197.html The serum cytokines such as IL-10, CXCL-10 and IFNg are significantly elevated, yet there is limited knowledge regarding the association between serum cytokine methylation patterns and PB methylation status for these genes. Methods: This case control study included 50 newly diagnosed HL patients and 50 matched healthy controls from Iraq. Serum levels of IL-10, CXCL 10 and IFN γ were measured by ELISA, and methylation percentages of promoter regions of IL-10, CXCL-10 and IFNG were assessed by qMSP. Correlation analyses evaluated associations between cytokines and their methylation status, as well as inter gene methylation relationships. Results: CXCL 10 (423.2 vs. 14.7 pg/mL) and IFN γ (704.1 vs. 84.7 pg/mL) (all p<0.0001). Methylation of CXCL-10 (64.4% vs. 52.3%, p=0.040) and IFNG (90.2% vs. 27.0%, p<0.0001) was significantly higher in patients, while IL-10 methylation did not differ between groups (p=0.190). Strikingly, a robust positive correlation was observed between IL-10 methylation and CXCL-10 methylation (Pearson r = 0.545, p < 0.001) in HL patients. No significant correlations were found between any cytokine level and its own methylation percentage. EBV status (78% seropositive) did not influence either cytokine levels or methylation values. In conclusion, there is a clear positive relationship with both IL-10 and CXCL 10 methylation, indicating a potential linkage of dysfunction of epigenetics within HL regardless of the EBV status. The dissociation of hypermethylation from the cytokine overexpressed within HL suggests that the local specific environment takes precedence over repressive DNA methylation marks. https://qjps.qu.edu.iq/article_192082.html Background: Hepatitis B virus (HBV) is a significant health care concern in the global context, given that it is among the prevalent causes of chronic liver diseases, including cirrhosis and hepatocellular carcinoma. The description of the viral activity and the investigation of its molecular peculiarities are significant to identify the regions that are crucial regulators of the HBV genome.Purpose: To identify the precore and basal core promoter (BCP) of HBV by application of the nested polymerase chain reaction (nested PCR).Methods: The blood bank and Diwaniyah General hospital in Diwaniyah, Iraq provided 20 of serum samples that are known to have been infected with HBV. Nested PCR amplification of the precore and basal core promoter regions of the viral DNA was done with specific outer and inner primers. The amplification products were confirmed using Agarose gel electrophoresis to ensure that amplification was successful.Findings: The molecular detection of the target areas was successful as all the 20 samples (100%) had a clear and distinct DNA band at the expected amplification position..... https://qjps.qu.edu.iq/article_192098.html Urban heavy metal contamination presents a critical challenge to environmental and public health, especially within healthcare environments that house vulnerable populations. This study evaluates the accumulation and health risks of lead (Pb), cadmium (Cd), mercury (Hg), zinc (Zn), copper (Cu), chromium (Cr), and nickel (Ni) in soil and surface dust at five major healthcare facilities in Al-Diwaniyah, Iraq. A total of 30 samples were collected from hospital gardens, windows, and waiting areas to represent both outdoor and indoor exposure. Analysis was performed using atomic absorption spectrophotometry following controlled acid digestion. Results indicated that heavy metal concentrations vary significantly across sites, with Pb levels peaking at Al-Diwaniya Hospital (44.20 mg/kg) and Ni frequently exceeding safety standards. Non-carcinogenic health risk assessments using USEPA models revealed that ingestion is the primary exposure pathway. While most metals posed minimal risk, mercury (Hg) at Al-Sadr II Hospital exceeded the safety threshold (HQ > 1), suggesting potential localized health concerns. These findings underscore the urgent need for improved medical waste management and continuous environmental monitoring within hospital settings. https://qjps.qu.edu.iq/article_192104.html The results of this experimental research have proved that the alcoholic extract of tobacco leaves and the commercial insecticide Wormix Drop showed significant effectiveness in the fight against lice infesting local chickens in a controlled condition. The experiment design was such that it included well-defined negative control and treatment groups to accurately measure the actual effects of the agents under test and reduce confounding variables to a minimum. Moreover, rigorous acclimatization procedures and comprehensive clinical and microscopic analyses were used, which guaranteed the reliability and validity of the results. Such results indicate that the toxic-free extract of tobacco leaves could be an effective alternative or complementary method to using traditional commercial insecticides in the control of external parasites in chickens through a plant-based solution. However, further studies are recommended to evaluate long-term safety and large-scale field applicability.Group 1 (G1) was treated with 40 mg/kg of an alcoholic extract of banana leaves.Group 2 (G2) was treated with 80 mg/kg of an alcoholic extract of banana leaves.Group 3 (G3) was treated with the conventional herbicide Wormix DropGroup 4 (G4) was left as a positive (infected) group without any treatmen.Group 5 (G5) was left as a negative (uninfected) group.Keywords : Nicotiana tabacum; Alcoholic extract; Biting lice; Poultry ectoparasites; Botanical insecticide; In vitro evaluation. https://qjps.qu.edu.iq/article_192108.html Diesel soil contamination is considered a serious environmental problem with widespread negative effects on the environment, human health, and living organisms. The aim of this study is to investigate the efficiency of some local bacterial species to degrade diesel. Bacterial species were isolated from soils contaminated with hydrocarbons from areas south of Babylon Governorate . To estimate the efficiency of biodegradation of diesel, gravimetric analysis was used. The results showed that: Enterobacter cloacae complex degraded 44.44% (1%, 10 day) and 57.14% (1%, 15 day); 50% at 3% for both periods. Escherichia hermannii: 11.11% (1%, 10 day), 14.28% (1%, 15 day); 13–20% at 3%. Citrobacter sadlakii: 28.57% (1%, 10 day), 66.70% (1%, 15 day); 30–62.50% at 3%. Staphylococcus lentus: 66.70% (1%, 10) day, 71.42% (1%, 15 day); 30–37.50% at 3%. Aeromonas salmonicida: 33.33% (1%, 10 day), 42.85% (1%, 15 day); 40–50% at 3%. Sphingomonas paucimobilis: 22.22% (1%, 10 day), 28.57% (1%, 15 day); 20–25% at 3%. All six bacterial species possessed the alk gene (confirmed by PCR), responsible for petroleum hydrocarbon degradation. These strains show strong potential for bioremediation of diesel-polluted sites. https://qjps.qu.edu.iq/article_192265.html Infectious diseases remain a major health concern worldwide, and rapid differentiation between bacterial and viral infections is essential for appropriate clinical management. This study aimed to evaluate the usefulness of complete blood count (CBC) parameters in distinguishing between bacterial and viral infections. Blood samples were collected from patients presenting with symptoms of infection, and CBC analysis was performed using an automated hematology analyzer. The study focused on evaluating several hematological parameters, including total white blood cell (WBC) count, neutrophil count, lymphocyte count, hemoglobin level, and platelet count. The results showed significant differences in white blood cell patterns between bacterial and viral infections. Patients with bacterial infections demonstrated elevated total WBC counts with increased neutrophil levels, whereas patients with viral infections showed relatively higher lymphocyte counts. Hemoglobin and platelet levels did not show significant variations between the two groups in most cases. These findings indicate that CBC parameters, particularly WBC differential counts, can serve as useful preliminary indicators in distinguishing bacterial from viral infections. Therefore, CBC remains a simple, rapid, and cost-effective laboratory test that can support early clinical decision-making when combined with clinical evaluation and other diagnostic method https://qjps.qu.edu.iq/article_192401.html The protozoan Cryptosporidium parvum causes cryptosporidiosis, an opportunistic parasite infection that can cause severe.It is essential to comprehend the genetic diversity of C. parvum circulating in these high-risk communities in order to guide focused prevention and control initiatives. The genetic diversity of C. parvum isolates infecting immunocompromised individuals in Wassit City, Iraq, was examined in this cross-sectional investigation . 50 samples collected from Al-Karama hospital and health centers, 20 (40.0%) of the fifty suspected cases of cryptosporidiosis had Cryptosporidium oocysts in their stool samples, which were examined under a microscope . Following molecular detection, which yielded 35 (70.0%) results, 10 samples were used for nested PCR that targeted the C. parvum glycoprotein 60 (gp60) gene. Sequence analysis and phylogenetic reconstruction using the Neighbor-Joining method revealed the presence of multiple C. parvum genotypes .The Cryptosporidium parvum gp60-IId.allele (KX397563.1) was linked to the human isolates IQH.1, IQH.3, IQH.4, IQH.5, and IQH.8. Cryptosporidium parvum gp60-IIc.allele (FJ839876.1) was linked to the human isolates IQH.2, IQH.6, IQH.9, and IQH.10. The Cryptosporidium parvum gp60-IIa allele (DQ192508.1) was linked to the Cryptosporidium parvum human isolate IQH.7.Sequence similarity between the detected genotypes and reference isolates in the GenBank database ranged from 98.65% to 100%. This study highlights the significant genetic diversity of C. parvum and the necessity of thorough surveillance to guide effective prevention and control strategies targeting this opportunistic parasite, offering crucial insights into the molecular epidemiology of cryptosporidiosis in Iraq's immunocompromised population. https://qjps.qu.edu.iq/article_192193.html This study examines the sedimentological and mineralogical characteristics of recent deposits in the Khor Al-Zubair area, southern Iraq, to interpret depositional environments and the prevailing sedimentary system. Core samples were collected from three stations (St1, St2, St3) to a depth of 3 meters, subdivided into surface, middle, and bottom layers, yielding 27 samples for grain-size analysis and 6 for X-ray diffraction (XRD) mineralogical analysis.Grain-size results show a dominance of fine-grained sediments, with silt content of 47-92%, clay 7-52%, and low sand fractions 1-18%. Most samples classify as very fine sandy clay or clayey silt with minor sand (Folk, 1974). Median grain sizes range from 4.9-5.8𝜙, with positive skewness indicating deposition dominated by suspended load. Sorting values are weak to moderate, reflecting limited energy variation in a low-energy environment.Mineralogical analysis highlights the predominance of non-clay minerals, especially quartz, indicating a clear continental source. Carbonate minerals, mainly calcite with minor dolomite and gypsum, suggest chemical precipitation and early diagenetic processes in a transitional coastal setting. Weak or absent clay mineral reflections in some samples are attributed to fine grain sizes or semi-amorphous components.High similarity in sedimentological and mineralogical properties across stations confirms lateral continuity and environmental uniformity. The study concludes that recent sediments were deposited in a low-energy estuarine–deltaic environment dominated by suspended-load deposition and weak current activity, providing key insights into the evolution of coastal environments in southern Iraq.