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One of the biggest challenges in food packaging is the creation of sustainable and eco-friendly packaging materials to shield foods from ultraviolet (UV) photochemical damage and to preserve the distinctive physical, chemical, and biological characteristics of foods throughout the supply chain. Accordingly, this study focuses on enhancing the UV shielding properties and biological activity of carboxylmethyl cellulose sodium (CMC) through modifications using zinc oxide (ZnO), copper oxide (CuO), and graphene oxide (GO) using the solution casting technique. The hybrid nanocomposites were characterized by fourier-transform infrared (FTIR) spectrophotometer, ultraviolet-visible (UV-Vis) spectrophotometer, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and x-ray diffraction (XRD). Significant interactions between CMC and the metal oxide/GO nanocomposites were revealed by FTIR analysis, which reflects the formation of hydrogen bonding between CMC and the nanocomposites. XRD confirmed the functionalization of CMC with ZnO/GO and CuO/GO nanocomposites. Additionally, the CMC film showed a decrease in the optical bandgap from 5.53 to 3.43 eV with improved UV shielding capacity. Moreover, the composite films had excellent refractive index and optical conductivity values of 1.97 and 1.56 × 10 10  Ω cm − 1 , respectively. SEM and EDX analysis confirmed the formation of ZnO/GO and CuO/GO within the CMC matrix. Thus, dedicates that the CMC nanocomposites have promising applications in packaging materials. These results were confirmed by the quantum mechanical calculations utilizing density functional theory (DFT). Total dipole moment (TDM), frontier molecular orbitals (FMOs), chemical reactivity descriptors, and molecular electrostatic potential (MESP) maps were all studied using the B3LYP/LanL2DZ model. The TDM and FMO investigations revealed that the CMC/CuO/GO model has the highest TDM (84.031 Debye) and the smallest band gap energy (0.118 eV). Moreover, CMC’s reactivity increased after CuO/GO nanocomposites integration, as demonstrated by MESP mapping. Finally, the antibacterial activity of pure CMC, CMC/ZnO/GO, and CMC/CuO/GO nanocomposite films was evaluated against Staphylococcus aureus and Escherichia coli . The zones of inhibition data showed that both CMC/ZnO/GO and CMC/CuO/GO exhibited higher antibacterial activity than CMC alone, particularly against S. aureus . The inhibition zones for CMC/ZnO/GO and CMC/CuO/GO against S. aureus were 16 mm and 14 mm, respectively, suggesting enhanced susceptibility of S. aureus compared to E. coli . These results highlight the significant potential of ZnO and CuO NPs in improving the antimicrobial efficacy of CMC nanocomposites.

Modern laboratory medicine relies on analytical instruments for bacterial detection, focusing on biosensors and optical sensors for early disease diagnosis and treatment. Thus, Density Functional Theory (DFT) was utilized to study the reactivity of glycine interacted with metal oxides (ZnO, MgO, and CaO) for bacterial detection. Total dipole moment (TDM), frontier molecular orbitals (FMOs), FTIR spectroscopic data, electronic transition states, chemical reactivity descriptors, nonlinear optical (NLO) characteristics, and molecular electrostatic potential (MESP) were all investigated at the B3LYP/6–31G(d, p) level using DFT and Time-Dependent DFT (TD-DFT). The Coulomb-attenuating approach (CAM-B3LYP) was utilized to obtain theoretical electronic absorption spectra with the 6-31G(d, p) basis set to be more accurate than alternative quantum chemical calculation approaches, showing good agreement with the experimental data. The TDM and FMO investigation showed that glycine/CaO model has the highest TDM (10.129Debye) and lowest band gap (1.643 eV). The DFT computed IR and the experimental FTIR are consistent. The calculated UV-vis spectra showed a red shift with an increase in polarity following an increase in the absorption wavelength due to the interaction with ZnO, MgO, and CaO. Among the five solvents of water, methanol, ethanol, DMSO and acetone, the water and DMSO enhances the UV-Vis absorption. Glycine/CaO model showed high linear polarizability (14.629 × 10 −24 esu) and first hyperpolarizability (23.117 × 10 −30 esu), indicating its potential for nonlinear optical applications. The results showed that all model molecules, particularly glycine/CaO, contribute significantly to the development of materials with potential NLO features for sensor and optoelectronic applications. Additionally, MESP confirmed the increased electronegativity of the studied structures. Additionally, glycine/ZnO nanocomposite was synthesized and characterized using IR and UV-visible spectroscopy to determine their structural and spectroscopic features. It was discovered that there was good agreement between the DFT computed findings and the related experimental data. The antibacterial activity of glycine/ZnO nanocomposites against Staphylococcus aureus ( S. aureus) and Pseudomonas aeruginosa were studied in terms of concentration and time. The results showed that increasing the concentration of glycine/ZnO nanocomposite significantly enhanced its antibacterial efficacy by lowering optical density. Notably, Pseudomonas aeruginosa exhibited lower susceptibility to the nanocomposite compared to S. aureus , requiring higher concentrations for effective bactericidal action. In summary, this study contributes novel insights into the dual functionality of glycine-metal oxide complexes, with significant implications as optical biosensor for microbial detection.

Metals have a tendency to accumulate in the environment and can have carcinogenic effects. Accordingly, this study used density functional theory (DFT) calculations to investigate the adsorption of different metal ions on the glycine surface. Glycine has attracted a lot of research interest because of its remarkable metal-binding properties and cost effectiveness. Accordingly, to improve glycine’s adsorption capacity, it has been combined with SiO 2 , TiO 2 , and Fe 3 O 4 , creating a glycine-metal oxide nanocomposite through hydrogen bonding. After optimizing the structures at their energy minima at the B3LYP/6-31G(d, p) level of theory, the following analyses were carried out: total dipole moment (TDM), frontier molecular orbitals (FMOs), reactivity indexes, and molecular electrostatic potential (MESPs). The study of TDM, FMOs, reactivity indexes, density of states (DOS), and UV-Vis absorption analysis demonstrated the improved reactivity of glycine due to functionalization with SiO 2 . Additionally, the results showed that, compared to the glycine, the glycine/SiO 2 surface experiences a greater degree of charge redistribution as a result of more hydrogen bonds being formed with adsorbate molecules. Thus, the study successfully extracted Cr, Fe, Co, Ni, Cu, As, Cd, and Pb from wastewater by demonstrating their selectivity for the glycine/SiO 2 nanocomposite. The findings show that Ni had a stronger adsorption for glycine/SiO 2 than the others as TDM increased (34.040 Debye), band gap energy decreased significantly (0.249 eV), and reactivity indices got improved. Additionally, the IR spectra were calculated and compared to the experimental data, which revealed remarkable frequency changes due to intermolecular interactions. HR-TEM scans validated the dispersion of SiO 2 NP on the glycine surface with minimal aggregation. Furthermore, the antibacterial activity of glycine-amino acid-based surfactants was assessed, and the results show that glycine/SiO 2 nanocomposites exhibited antibacterial efficacy against Gram-positive and Gram-negative microorganisms. These findings highlight the glycine/SiO 2 nanocomposites for remediation of heavy metals and have antibacterial activity for treating pathogenic bacteria.

Metal pollution in the Mediterranean coast is a growing environmental concern. The effect of trace metals and polycyclic aromatic hydrocarbons (PAHs) on fish was subjected to DFT:B3LYP/6-31G(d,p) computational study. Both alanine (Ala) and phenylalanine (PAla) were used as model molecules for protein of fish. The interaction of Ala and PAla with metals resulted in significant decrease of the HOMO–LUMO bandgap energy of Ala and PAla from 2.6647 and 1.5772 eV, down to 1.2871 and 1.2675 eV, respectively, reflecting increased reactivity for further interaction with the surrounding environment. Results also indicated that interaction of both metals and PAHs with protein resulted in changing the structure of the amide groups with significant shift in their band positions. Changes in the geometrical parameters of protein were detected which, in turn, changed the amount of energy required to vibrate its funcitonal groups, thus leading to a change in the vibrational features of COOH and NH 2 . FTIR spectra of fish gills, liver, and muscle tissues collected from four sites in Alexandria (El-Shatby, Qaitbay, Al Asafra, and El-Max) confirmed the computational findings, revealing alterations in protein secondary structures. Experimental studies further assessed the effects of pollutants on fish health. Bacterial analysis showed the highest levels of Staphylococcus aureus (1.5 × 10 4 CFU/ml) and Escherichia coli (5.0 × 10 3 CFU/g) in El-Max, while the lowest bacterial counts were recorded in El-Shatby. Micronucleus analysis indicated significant genotoxic effects, with higher micronuclei frequencies in fish from El-Max than in El-Shatby. Gene expression analysis revealed that fish from El-Max exhibited upregulated levels of Cytochrome c, P53, and TNF genes, suggesting oxidative stress and apoptosis as potential responses to environmental pollution. One-way ANOVA confirmed significant differences between control and polluted groups ( p  < 0.05), with the highest expression levels observed in Tilapia liver samples. These findings highlight the detrimental impact of PAHs and heavy metals on aquatic organisms, emphasizing the need for continuous environmental monitoring and pollution control measures in the Mediterranean coastal waters.

Background Interim restorations are crucial in dental implant procedures as they ensure patient’s comfort, maintain esthetic appearance, and restore function during the healing process. Optimizing retention of these restorations ensures their long-term success. This study aims to evaluate the shear bond strength (SBS) of nano-modified, additively manufactured resin-based interim materials to smooth and rough titanium surfaces. Methods Ninety-six specimens were prepared with a 3D printed resin (VarseoSmile Crown plus; Bego) and divided into 3 groups: group I (VS control) ( n  = 32), group II (VS 0.2%TiO 2 ) ( n  = 32), and group III (VS 0.4%TiO 2 ) ( n  = 32), then each group was divided into 2 subgroups according to bonded titanium surface: smooth ( n  = 16) and sandblasted ( n  = 16). The prepared resin samples underwent air abrasion followed by citric acid etching. Subsequently, surface roughness (Ra) values were measured by surface profilometer. Each specimen was bonded with a dual-cured adhesive resin cement for SBS testing using universal testing machine. Half of the specimens of each group were subjected to thermocycling (1000 cycles) then tested for SBS. Failure modes were determined using stereomicroscope. Surface roughness was compared using paired t-tests, while two-way ANOVA assessed filler type and surface treatment effects. Three-way ANOVA evaluated the impact of filler type, surface treatment, and thermocycling on SBS. Significance was set at P  < 0.05. Results Surface treatment showed a statistically significant increase in surface roughness of nanomodified composite specimens as well as titanium surfaces ( P  < 0.0001). The highest surface roughness was seen in group I (0.701 ± 0.113) followed by group III (0.690 ± 0.107), group II (0.653 ± 0.133) and rough titanium surface (0.548 ± 0.062). Regarding SBS values, before thermocycling, group I (8.85 ± 1.03) was the highest, followed by group III (8.29 ± 0.57) then group II (6.87 ± 0.53). After thermocycling, group III bonded to rough titanium surface showed the highest values (12.87 ± 0.77), while group II was the lowest (7.81 ± 0.94) ( P  < 0.0001). Conclusion Surface treatment significantly enhanced surface roughness and SBS of nanomodified composites to titanium surfaces. This improvement underscores the effectiveness of nanomodification and surface treatment in optimizing the adhesive interface, which is crucial for achieving durable bonding in dental restorations.

Bioactive glass (BG) was prepared by sol–gel method following the composition 60-( x ) SiO 2 .34CaO.6P 2 O 5 , where x  = 10 (FeO, CuO, ZnO or GeO). Samples were then studied with FTIR. Biological activities of the studied samples were processed with antibacterial test. Model molecules for different glass compositions were built and calculated with density functional theory at B3LYP/6-31 g(d) level. Some important parameters such as total dipole moment (TDM), HOMO/LUMO band gap energy (ΔE), and molecular electrostatic potential beside infrared spectra were calculated. Modeling data indicated that P 4 O 10 vibrational characteristics are enhanced by the addition of SiO 2 .CaO due to electron rush resonating along whole crystal. FTIR results confirmed that the addition of ZnO to P 4 O 10 .SiO 2 .CaO significantly impacted the vibrational characteristics, unlike the other alternatives CuO, FeO and GeO that caused a smaller change in spectral indexing. The obtained values of TDM and ΔE indicated that P 4 O 10 .SiO 2 .CaO doped with ZnO is the most reactive composition. All the prepared BG composites showed antibacterial activity against three different pathogenic bacterial strains, with ZnO-doped BG demonstrating the highest antibacterial activity, confirming the molecular modeling calculations.

Background Mental and neurocognitive disorders are the leading cause of disabilities amongst the older adult populace worldwide. The population of the older adult in Egypt is fast growing. The national census in 2017 revealed a 2.56% increase in the older adult population from the 2006 census, and these figures are expected to double by year 2031. This study aims to review current evidence about the prevalence of mental and neurocognitive disorders amongst older adult population in Egypt. Results A systematic review was carried out, and 16 studies met the inclusion criteria outlined in this study. Four main mental and neurocognitive disorders were identified: depression, anxiety, cognitive impairment and dementia. The reported prevalence of depression, anxiety, dementia and cognitive impairment are 23.7–74.5%, 14.2–72%, 3.66–39.2% and 1.74–51.4%, respectively. Anxiety and depression were positively correlated with the female gender, increasing age and lower educational status. Also, cognitive impairment and dementia were positively correlated with age, illiteracy or low education. However, there appears to be inconsistencies in the diagnostic tools used. Conclusion Egypt aging population is growing, and this research brings to forefront the scale of mental and neurocognitive disorders amongst the older adult population. This may help ensure evidence-based initiatives are put in place and priority is given to resource allocation for geriatric mental and neurocognitive disorders in Egypt. Systematic review registration PROSPERO CRD42018114831

Breast cancer is the most common tumor among women throughout the world. Diagnosis and treatment of breast cancer are associated with stress and depression. Self-efficacy is one of the most important personal characteristics, studied in cancer, and is correlated with depression and immunity. The aim of the study is as follows: Thirty newly diagnosed breast cancer patients recruited from the Oncology Department, Kasr EL-Aini, Cairo University (ages 51.40 + 8.24 years) responded to two questionnaires: Coping Self-Efficacy Scale (CSES) and Patient Health Questionnaire-9 (PHQ-9); blood samples were collected to measure the phenotype of patients' cellular immunity and DHEA levels by flowcytometry and ELISA technique. There was a significant negative correlation between CSES and PHQ-9, a significant positive correlation between PHQ-9 and B-cell count, and there is a significant negative correlation between CSES and B-cell count. The presence of DHEA has no mediatory role on correlation between CSES and B-cell count. This paper presents a new model of psychoneuroimmunology by suggesting an effect of coping self-efficacy on immunity against breast cancer patients.

Background The problem of substance use is becoming one of the most serious and rapidly growing phenomena all over the world. Efficient and well-designed prevalence studies for mental illnesses including substance use problems need to be regularly updated, in order to rearrange the prevention and management plans on a scientific basis. The aim of the study is to detect the prevalence of substance use and dependence among secondary school students, as they are one of the high-risk populations for drug use, targeting a representative sample of 10,648 of students. Results The most commonly used substance was nicotine during lifetime (9%), last 12 months (4.9%), and last month (2.4%). After the exclusion of nicotine, benzodiazepines was the commonest substance abused (5.1%) followed by alcohol (3.3%) and organic solvents (3.1%). The most commonly used during the last 12 months was alcohol (2.9%) followed by organic solvents (2.7%) and cannabis (2.6%). The prevalence of the regular use of any substance was 1.5%, while the prevalence of the dependence syndrome was 0.9% (excluding nicotine dependence). The prevalence of intake, regular use, and dependence were all higher among males. Conclusion The results of this study attract attention towards the substance abuse problem among adolescents in Egypt. Tobacco is the most commonly used substance followed by benzodiazepines which seemed to be used on a regular basis. Alcohol, organic solvents, and cannabis are also commonly used. Preventive services should be directed towards youth to combat these phenomena.