بحوث سكوبس — حسن عبد الهادي جاسم الجابري

A systematic theoretical investigation is presented to elucidate the influence of progressive hydroxyl substitution on the optoelectronic, photovoltaic, and charge-transport properties of anthracene-based donor–π–acceptor dyes. Five metal-free dyes were designed and analyzed using density functional theory (DFT), time-dependent DFT (TD-DFT), and charge-transport simulations. The results demonstrate that hydroxyl functionalization effectively modulates the electronic structure by elevating the HOMO energy, narrowing the HOMO–LUMO gap, and enhancing intramolecular charge-transfer character. These effects lead to red-shifted absorption spectra, increased oscillator strengths, and improved light-harvesting efficiency. Key dye-sensitized solar cell (DSSC) parameters, including electron-injection driving force, regeneration feasibility, and open-circuit voltage trends, were systematically evaluated and benchmarked against standard sensitizers. Dyes with moderate hydroxyl substitution exhibit the most favorable balance between optical absorption enhancement and electron-injection energetics. In addition, donor functionalization improves frontier-orbital alignment and electronic coupling in molecular junctions, resulting in enhanced charge-transport and thermoelectric performance. Overall, this study provides clear structure–property relationships and highlights hydroxyl substitution as an effective donor-engineering strategy for the rational design of high-performance anthracene-based dyes for DSSC and nano-optoelectronic applications. © 2026

Purpose: To compare vision-related quality of life (QoL) between surgical and nonsurgical interventions in Iraqi patients with unilateral keratoconus (KC) and to identify independent clinical predictors of QoL outcomes. Methods: This multicenter cross-sectional study enrolled 490 patients with unilateral KC. Participants were stratified into surgical (n = 240; intracorneal ring segments [ICRS], deep anterior lamellar keratoplasty [DALK], or penetrating keratoplasty [PKP]) and nonsurgical (n = 250; corneal collagen crosslinking [CXL], rigid gas-permeable, or scleral lenses) groups. Clinical assessments included best-corrected visual acuity (BCVA), maximum keratometry (Kmax), spherical equivalent, and disease stage. QoL was measured using the validated 25-item National Eye Institute Visual Function Questionnaire (NEI-VFQ-25). Subgroup analyses, pairwise comparisons, and multivariate regression were conducted to identify determinants of QoL. Results: Surgical patients demonstrated significantly higher NEI-VFQ-25 composite and subscale scores than nonsurgical patients (p < 0.001), with marked improvements in general vision, mental health, and daily activities. Subgroup analyses confirmed that ICRS provided superior outcomes in mild-to-moderate KC compared to CXL and contact lenses, while DALK and PKP yielded comparable benefits in advanced disease. Stratified analyses revealed sex-based and age-related differences, with females and older patients reporting better QoL. Multivariate regression analysis identified surgical treatment, BCVA ≤0.3 logMAR, patient satisfaction with surgery, and mild KC as independent positive predictors of QoL, whereas advanced stage, male sex, higher Kmax, and increasing age were identified as negative predictors. A treatment–age interaction indicated that younger patients benefited more from timely surgery. Conclusions: Surgical interventions, particularly ICRS and PKP, are associated with superior QoL compared with nonsurgical options in Iraqi patients with KC. These findings underscore the importance of incorporating patient-reported outcomes into clinical decision-making and support individualized, stage-based surgical referral, especially in resource-limited settings. © 2026 The Korean Ophthalmological Society. This is an Open Access journal distributed under the terms of the Creative Commons Attribution Non-Commercial License http://creativecommons.org/licenses/by-nc/4.0/ which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.

This work reports the first steps in the preparation of nickel manganese oxide (NiMn2O4) using an inexpensive and straightforward co-precipitation approach. Next, NiMn2O4/g-C3N4 heterostructure with varying mass ratios are made using an ultrasonic-assisted co-precipitation process. Many methods, including XRD, FTIR, EDS, SEM, TEM, BET, VSM, and DRS, were used to characterize NiMn2O4 and its nanocomposites. The photocatalytic activity of NiMn2O4, g-C3N4, and various NiMn2O4/g-C3N4 nanocomposites was studied for the degradation of eriochrome black T (EB). This is the first time that NiMn2O4 has been coupled with carbon nitride, demonstrating outstanding photocatalytic efficiency. The results showed that numerous factors influenced efficiency, including NiMn2O4 content, catalyst content, and EB concentration. 1 %NiMn2O4/g-C3N4 has the highest performance, which 30 mg of 1 %NiMn2O4/g-C3N4 to degrade 96.41 % of 10 ppm EB in the acidic media. The scavenger experiments revealed that superoxide radicals played an important part in the photodegradation events. The kinetics investigation found that a higher rate constant (k = 0.0241 min‒1) corresponded to better efficiency (96.41 %). © 2025 The Author(s)

The issue of food safety has become a global challenge to public health due to the presence of various contaminants. Photo/electrochemical biosensing technology has shown significant potential for application in food safety and has increasingly emerged as a research hotspot. New materials with controllable structures that are eco-friendly and exhibit high photo/electroactivity, are highly desirable. The incorporation of porphyrin molecules as fundamental components (ligands) in the construction of metal–organic frameworks (MOFs) results in the formation of porphyrinic MOFs, which can also integrate functional materials within these frameworks. Conversely, the entrapment of porphyrin molecules within porous MOFs leads to the formation of structures referred to as porphyrin@MOFs. This integration can effectively enhance the photoelectric properties of porphyrins and mitigate their tendency for self-aggregation. Hence, these materials are extremely preferred in photo/electrochemical detecting platforms. This review aims to examine the strengths and weaknesses of porphyrin-MOFs nanohybrids, as well as their mechanisms in photoelectrochemical sensing, electrochemical sensing, optical sensing, and electrochemiluminescence sensing. Moreover, this paper offers a comprehensive overview of recent advancements in porphyrin-MOFs platforms for the detection of pesticides, antibiotics, heavy metal ions, and mycotoxins, highlighting their multiplexing capabilities and sensitivity. Additionally, the limitations and challenges associated with the application of porphyrin-MOF nanohybrids in the efficient and precise assessment of food are also discussed. © 2025 Elsevier B.V.

Purpose: To evaluate the impact of soft contact lens (SCL) wear on corneal endothelial morphology, particularly endothelial cell density (ECD), coefficient of variation (COV), and hexagonality (HEX), comparing SCL wearers with non-wearers in a young adult population in Iraq. Methods: A cross-sectional study was conducted involving 394 participants, aged 18–30 years, comprising 207 SCL wearers and 187 non-wearers. Corneal endothelial characteristics were assessed using non-contact specular microscopy to measure ECD, COV, and HEX. The spherical equivalent (SE) was measured using an autorefractometer. Statistical analyses were performed using one-way and two-way ANOVA tests to compare between groups. Results: A total of 394 subjects participated in the study, including 207 CL wearers (108 silicone hydrogel and 99 traditional hydrogel) and 187 non-CL wearers (control group), with 149 males and 245 females. The mean age was 23.90 ± 3.07 years, and the mean spherical equivalent (SE) was −3.07 ± 1.36 diopters. The duration of CL wear ranged from 2 to 12 years, with an average of 6.37 ± 3.25 years. Participants were divided into two groups: Group 1 (2–6 years) and Group 2 (7–12 years). Statistical analysis revealed significant changes in endothelial cell density (ECD), coefficient of variation (COV), and hexagonality (HEX) in CL wearers (p < 0.001), with more pronounced alterations in Group 2, particularly among traditional hydrogel lens wearers. Conclusion: Prolonged soft contact lens wear is associated with significant changes in corneal endothelial morphology, including decreased ECD, increased COV, and reduced HEX, which worsen with extended use. These findings underscore the importance of monitoring corneal health in long-term SCL users and suggest the need for regular ophthalmic evaluations to mitigate potential risks. © 2025 British Contact Lens Association

Purpose: This research aimed to thoroughly examine and meta-analyse statistical information about the prevalence of refractive error in Iraq. Methods: To discover every pertinent Iraqi epidemiological study from March 2014 to March 2024, Scopus, Science Direct, Google Scholar, Embase, PubMed, and the Cochrane Library were searched and reviewed. The Iraqi refractive error rate was interesting. The Comprehensive Meta-Analysis Software received unprocessed events and sample sizes for effect size calculations. Results: A meta-analysis was undertaken by pooling data from 10 studies. The fixed effects model indicates an estimated effect size of 29.8% (95% CI: 28.6—30.9%). However, the statistical measures of heterogeneity (Q-value p < 0.001; I2 = 98.707) showed significant heterogeneity among the studies, which indicates that a random-effects model should be used. The random effects model suggests that the prevalence of refractive error in the Iraqi population is predicted to be 27.6% (95% CI: 18.9—38.5%). The most common refractive defect was myopia, found in 35.1% of cases (95% CI: 24.9—46.8%). Astigmatism was the second most prevalent, affecting 32.2% (95% CI: 19.1—49.0%), followed by hyperopia in 23.9% (95% CI: 16.0—34.2%). Conclusions: Current estimate of refractive error prevalence in Iraq may be conservative of this condition's burden. Nevertheless, this corresponds to a minimum of 8 to 18 million individuals in Iraq who have a refractive error. Due to study variability, wide estimate ranges, and random effects, more research and reliable sources are needed to obtain more accurate results. © 2025 The Authors

Purpose: To establish the relationship between ocular biometry and refractive errors in young adult Iraqis by analyzing three critical biometric ocular parameters, including axial length (AL), corneal radius (CR), and central corneal thickness (CCT). Methods: A cross-sectional study was conducted on individuals aged 18–33 years at Al-Mustaqbal University, Iraq, including 1841 participants (3682 eyes). Quantitative measurements of AL, CR, and CCT were obtained using an Auto Kerato-Refractometer, IOL Master, and pachymetry techniques. Statistical analyses included Pearson correlation, multiple linear regression, one-way ANOVA, and independent samples t-tests to compare biometric parameters between refractive error groups. Generalized Estimating Equations (GEE) were applied to account for the correlation between fellow eyes. Results: The overall mean AL was 24.45 ± 1.10 mm, mean CR was 7.37 ± 0.77 mm, and mean CCT was 555.83 ± 50.83 μm. Myopic participants had a significantly longer AL (25.11 ± 0.42 mm) compared to hyperopic participants (22.71 ± 0.65 mm; p < 0.001). Likewise, myopic eyes had significantly thicker corneas (CCT: 565.62 ± 12.68 μm) than hyperopic eyes (495.42 ± 18.74 μm; p < 0.001), as determined by independent samples t-tests. Females exhibited slightly longer ALs than males across both myopic and hyperopic groups (p < 0.0001). Regression analysis showed that AL was the strongest predictor of spherical equivalent (SE), followed by CR and CCT. The regression model including AL and CR explained 94.5% of the variance in SE (R² = 0.945). Conclusions: The findings confirm that AL and CCT are strongly associated with refractive errors, with AL being a primary determinant. This study highlights the role of gender differences in biometric ocular parameters and provides valuable insights into the prevalence of refractive errors in young adults in Iraq. These results can inform future public health initiatives aimed at addressing refractive errors in this population. © The Author(s) 2025.

Organic molecules with extended π-conjugation frameworks are emerging as promising candidates for active media in nanoscale optoelectronic applications. Benzodichalco-genophene (BDC) derivatives, in particular, exhibit rigid planar geometries and tunable electronic properties, making them attractive for use in single-molecule laser devices. This study theoretically examines the structural, electronic, optical, and charge transport properties of several BDC molecules using advanced computational methods. Geometry optimizations were conducted with the Perdew Burke Ernzerhof (PBE) functional via the SIESTA package, while electronic properties were evaluated at the B3LYP/3-21G level. Time-dependent density functional theory (TD-DFT) was employed to simulate optical absorption spectra, and the GOLLUM code was used to model charge transport through molecular junctions based on non-equilibrium Green’s function formalism. The findings reveal that increasing molecular length narrows the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap, enhances orbital delocalization, and improves electron transmission. Optical simulations revealed red-shifted absorption peaks and increased oscillator strengths, indicating enhanced light-matter interactions. Furthermore, density of states analysis confirmed the transition from HOMO- to LUMO-dominated transport with greater conjugation. Overall, BDC derivatives show strong potential for integration into molecular-scale lasers and optoelectronic devices, paving the way for future experimental and technological advancements. © 2025, The Author(s). This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

The current study presented a detailed analysis and comparison of the adhesion characteristics and sensing capabilities of both pure T-graphene (PTGr) and Pt-decorated (Pt@TGr), utilizing DFT for analyzing the interactions with 5-fluorouracil (5FU). Recent findings have highlighted the metallic nature of PTGr. Our results indicated that the decorating PTGr with Pt significantly altered the electronic attributes of the PTGr. The DFT estimations revealed a reduction in the bandgap of the PTGr upon the incorporation of the Pt atoms. Furthermore, 5FU had a physical adhesion onto the PTGr with a low adhesion energy of roughly −0.42 eV. In contrast, the adhesion energy for 5FU on Pt@TGr was enhanced to about −3.59 eV in comparison with PTGr. A sensor based on PTGr or Pt@TGr is developed to assess the sensitivity towards the 5FU molecules in relation to adhesion energy. The findings demonstrated that the sensitivity of PTGr towards 5FU was below 15 %, whereas Pt@TGr exhibited a significantly higher sensitivity of up to 78 %. These results suggested that Pt@TGr holds considerable potential for applications in various areas, including drug delivery and detecting 5FU. © 2025 Elsevier B.V.

Calcium-ion batteries (CIBs) are gaining attention as a viable substitute for lithium-ion batteries (LIBs) because of their enhanced safety characteristics and economical nature. This study employed density functional theory computations to examine suitability of boron-doped carbon sheets (BCx, where x equals 2) as a desirable anode material for CIBs. BCx material possesses a significantly porous configuration and exhibits a stronger propensity for Ca-ions to bond to its vacant sites. Parameters such as diffusion energy barrier (DEB), theoretical specific capacity (TSC), open-circuit voltage (OCV), and partial density of states have been computed and subsequently analyzed and discussed. Furthermore, the developed anode material exhibited complete saturation with seven Ca-ions distributed across various active sites. This observation suggests a substantial TSC of 1359 mAh g−1 along with a minimal OCV of 0.39 V. Inclusion of a B2C4 ring, which exhibited a DEB of 0.15 eV, significantly enhanced mobility of Ca-ions. Consequently, BCx emerges as a viable candidate for anode material in CIBs, offering advantages such as prolonged cycle life, rapid charge–discharge rates, and its favorable attributes of low OCV and DEB. Additionally, its theoretical specific capacity value remains high, further contributing to its suitability for CIB applications. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2025.

This study aimed to estimate the prevalence, severity, and risk factors of dry eye symptoms (DES) among Iraqi university students and to examine associations with digital device use in an arid, dust-prone setting. A cross-sectional survey was conducted at Al-Mustaqbal University (Iraq) between February and May 2025 using paper-based questionnaires that captured demographics, device-use patterns, symptom burden, and self-management behaviors. Symptom severity was assessed with the Ocular Surface Disease Index (OSDI), and DES prevalence was estimated using the Women’s Health Study (WHS) questionnaire. Binary logistic regression was applied to calculate adjusted odds ratios (aORs) with 95% confidence intervals (CIs). Among 1,487 invited students, 1,154 completed the survey (response rate 77.6%); participants were aged 19–24 years, and 63.6% were female. The WHS-defined prevalence of symptomatic DES was 62.0%. Blurred vision, burning, and ocular redness were the most frequent symptoms. A dose–response relationship was observed between daily screen time and OSDI severity, with the highest burden among students reporting more than 7 hours per day (trend p < 0.001). In adjusted models, female participants had higher odds (aOR 2.34; 95% CI 1.56–3.56; p < 0.001), screen time >7 h/day (aOR 2.25; 95% CI 1.55–3.31; p < 0.001), fourth academic year (aOR 1.75; 95% CI 1.18–2.60; p = 0.01), and use of glasses/contact lenses (aOR 1.45; 95% CI 1.10–1.90; p = 0.01) were significant predictors. Laptops were most often associated with ocular redness, smartphones with burning and pain, and tablets with blurred vision. In conclusion, DES symptoms were highly prevalent and strongly associated with prolonged daily screen exposure. Female sex, advanced academic standing, and corrective lens use further increased risk. Findings support campus-level prevention focused on digital hygiene, ergonomic optimization, and periodic ocular screening, considering environmental stressors typical of arid, dust-prone settings. © 2025 Aljaberi et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

Clinical relevance: Integrating axial and anterior-segment measures, along with quadratic prediction and odds-based models, can support diagnosis, risk stratification, and management. Background: The aim of this work is to quantify the axial length (AL)–spherical equivalent (SE) relationship in Iraqi adults, assess sex differences within refractive categories, and develop prediction and risk models. Methods: Cross-sectional study of 2,948 eyes (18–33 years) at a university eye-care clinic (Feb–May 2025). SE was measured by non-cycloplegic autorefraction (Nidek ARK-1) and AL by SS-OCT biometry (ZEISS IOL-Master 700). Refractive groups were emmetropia (−0.50 D < SE ≤ +0.50 D), mild myopia (−0.50 to −3.00 D), and moderate myopia (−3.25 to −6.00 D). Group differences were analysed with t-tests/ANOVA. Sex-stratified, within-category SE was examined with equivalence testing (TOST; ±0.25 D). Ordinary least-squares models predicted AL from SE and SE2, and SE from AL and AL2, adjusting for age and sex. Logistic regression mapped AL to odds of any myopia versus emmetropia and of moderate versus emmetropia plus mild; discrimination was evaluated by the ROC/AUC. Results: Mean SE was +0.11 ± 0.29 D in emmetropia and −3.25 ± 1.67 D in myopia; mean AL 23.33 ± 0.60 mm and 26.03 ± 1.17 mm, respectively. AL differed across categories (p < 0.001). Females had longer AL within emmetropia (≈0.57 mm) and within mild–moderate myopia (≈0.70 mm; both p < 0.001), while SE was equivalent by TOST. The AL–SE association was range dependent: strong and negative in emmetropia/mild myopia (R2 ≈ 0.83) and weaker in moderate myopia (R2 ≈ 0.45). Quadratic models improved prediction (adjusted R2 ≈ 0.936 for AL; ≈ 0.934 for SE; RMSE 0.42 mm and 0.54 D). Longer AL significantly increased the odds of myopia after adjustment. Conclusion: AL closely tracks refractive status with range-dependent coupling. Females show longer AL without SE shifts, implying anterior segment compensation. © 2025 Optometry Australia.