Explore the vast range of titles available.

Gastroschisis and omphalocele are the most frequent congenital abdominal wall defects Described in the literature since the first century. It is occurring in 1 in 4000 live births. ETHICON PHYSIOMESH™ is Flexible Composite Mesh physiologically designed for repair of hernias and fascial defects. The mesh product is composed non absorbable, macro porous polypropalene mesh laminated between two polyglecaprone-25 films. An undyed polydioxanone film provides the boned between the polyglecaprone-25 film and polypropylene mesh. Patients with large congenital abdominal wall defects (>5cm) in omaphalocel while excess protrusion of the inta abdominal viscera in gastroschisis regard less the defect size were subjected to clinical examination and routine laboratory investigations. Between March 2008 to April 2013, 21 patients presented with abdominal wall defect, six patients were excluded from analysis due to the presence of other lethal anomalies and complications not related to the surgical treatment. Diagnoses in excluded patients included Great vessels anomalies (2), central nerves system male formation (1), intestinal perforations at the time of birth (1), associated coloacal anomalies (1), mid gut atresia (1). Fifteen cases were taken up for closure within 24 - 72 hours of presentation, 8 patient went primary repair with out mesh,7cases get primary repair with physiomesh. The use of physiomesh in the repair of the neonatal major abdominal wall defect is feasible less complication with acceptable coast farther study of more number of case and long term follow up.

Nanoparticles have made a substantial contribution to the field of skincare products with UV filters in preserving human skin from sun damage. The current study aims to create new polymer nanocomposite filters for the efficient block of UV light that results from the stratospheric ozone layer loss. The casting approach was used to add various mass fractions of copper oxide nanoparticles (CuO-NPs) to a solution of carboxymethyl cellulose (CMC). The amorphous nature of CMC was revealed by XRD analysis, with the intensity of the typical peak of virgin polymer in the nanocomposite spectrum decreasing dramatically as the doping amount was increased. The FTIR spectra revealed the functional groups of CMC and the good interaction between the CMC chain and CuO-NPs. Optical experiments revealed that the optical transmittance of pure CMC was over 80%, whereas it dropped to 1% when CuO-NPs content was increased to 8 wt.%. Surprisingly, the inclusion of CuO-NPs considerably improved the UV blocking property of the films extended from the UV region (both UV-A: 320–400 nm and UV-B: 280–320 nm) to the visible region. Optical band gap of CMC decreased sharply with increasing CuO concentration. The tunable optical characteristics can be utilized in UV- blocking filters and various optoelectronics applications.

This study systematically investigated four types of graphene quantum dots (GQDs) AHEX, ZTRI, ZHEX, and ATRI, and their interactions with glycine to form GQD-glycine complexes. Utilizing density functional theory (DFT) and the PM6 semiempirical method, the study analyzed electronic properties and structure-activity relationships. Global reactivity indices were calculated using Koopmans’ theorem, and quantitative structure-activity relationship (QSAR) parameters were assessed via SCIGRESS 0.3. The study further explored interactions using density of states (DOS) and quantum theory of atoms in molecules (QTAIM) analyses. Key findings revealed that glycine interaction significantly increased the total dipole moment (TDM) and decreased the HOMO/LUMO energy gap (ΔE) for the GQD-glycine complexes. Notably, ZTRI/glycine showed a TDM of 4.535 Debye and a reduced ΔE of 0.323 eV, indicating enhanced reactivity. Further interactions with cellulose, chitosan, and sodium alginate identified the ZTRI/glycine/sodium alginate composite as the most reactive, with a TDM of 8.020 Debye and the lowest ΔE of 0.200 eV. This composite also exhibited the highest electrophilicity index (56.421) and lowest chemical hardness (0.145 eV), underscoring its superior reactivity and stability. DOS analysis revealed that biomolecules contributed the most to molecular orbitals, with carbon atoms contributing the least. QTAIM analysis confirmed the greater stability of the ZTRI/glycine/sodium alginate complex compared to other studied composites. These results highlight the enhanced reactivity and stability of GQDs when interacting with glycine and sodium alginate.

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.

Functionalization of cellulose with nanomaterials and functional groups is essential for enhancing its properties for specific applications, such as flexible sensors and printed electronics. This study employs Hartree Fock (HF) and Density Functional Theory (DFT) calculations to investigate the vibrational spectra of cellulose, identifying DFT: B3LYP/3–21 g** as the optimal model aligning with experimental spectra. Using this model, we examined the impact of functionalizing cellulose with various groups (OH, NH 2 , COOH, CH 3 , CHO, CN, SH) and graphene oxide (GO) on its electronic properties. The results indicate that cellulose functionalized with GO (Cellulose-GO) has the lowest bandgap energy (0.1687 eV), and improvements in reactivity, stability, and electronic properties were confirmed through Molecular Electrostatic Potential (MESP) and Total Dipole Moment (TDM) analyses. The spectrum of Density of States (DOS) for the cellulose functionalized with different groups shows several peaks, indicating various energy levels where electronic states are concentrated. The Projected Density of States (PDOS) analysis reveals how different functional groups affect the electronic structure of cellulose. Moreover, the (Cellulose-GO) composite was characterized using an Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectrometer, revealing interaction through the OH group of CH 2 OH, as indicated by a new band at 1710 cm −1 , consistent with theoretical predictions. Overall, this study demonstrates that functionalization with GO enhances cellulose’s responsiveness, degradation, and electrical properties, making it suitable for applications in flexible electronic devices and protective barriers against corrosion.

Nanoparticles have substantially contributed to the field of skincare products with ultraviolet (UV) filters to preserve human skin from sun damage. Thus, the current study aims to develop new polymer nanocomposites for the efficient block of UV light that results from the stratospheric ozone layer loss. Co-precipitation method was used to successfully synthesis CuO@ZnO core/shell NPs with a well-crystalline monoclinic CuO core and wurzite ZnO shell. Using the casting method, core/shell NPs were successfully introduced to carboxymethyl cellulose sodium (CMC). The CMC nanocomposites displayed considerably broader optical response extending from near-ultraviolet to visible light, which was likely due to heterojunction between the p-CuO core and n-ZnO shell and defects originating from the synthetic process. The transmittance of pure CMC in the UV, visible, and near IR regions is significantly reduced with the addition of 2 and 4 wt% of CuO@ZnO core/shell NPs to CMC. 99% of UV light is absorbed when 4 wt% of CuO@ZnO core/shell NPs are added. The addition of different concentrations of CMC nanocomposite to one of the sunblock in Egyptian market were studied and showing the highest Sun Protection Factor of 22. Moreover, optical dispersion parameters and refractive index were improved strongly with core/shell NPs addition.

Ternary silicate glass (69SiO 2 –27CaO–4P 2 O 5 ) was synthesized with the sol–gel route, and different percentages of germanium oxide GeO 2 (6.25, 12.5, and 25%) and polyacrylic acid (PAA) were added. DFT calculations were performed at the B3LYP/LanL2DZ level of theory for molecular modelling. X-ray powder diffraction (XRPD) was used to study the effect of GeO 2 /PAA on the structural properties. The samples were further characterized using DSC, ART-FTIR, and mechanical tests. Bioactivity and antibacterial tests were assessed to trace the influence of GeO 2 on biocompatibility with biological systems. Modelling results demonstrate that molecular electrostatic potential (MESP) indicated an enhancement of the electronegativity of the studied models. While both the total dipole moment and HOMO/LUMO energy reflect the increased reactivity of the P 4 O 10 molecule. XRPD results confirmed the samples formation and revealed the correlation between the crystallinity and the properties, showing that crystalline hydroxyapatite (HA) is clearly formed in the highest percentages of GeO 2 , proposing 25% as a strong candidate for medical applications, consistent with the results of mechanical properties and the rest of the characterization results. Simulated body fluid (SBF) in vitro experiments showed promising biocompatibility. The samples showed remarkable antimicrobial and bioactivity, with the strongest effect at 25%. The experimental findings of this study revealed that the incorporation of GeO2 into the glass in terms of structural characteristics, bioactivity, antimicrobial properties, and mechanical properties is advantageous for biomedical fields and especially for dental applications.

Dye-sensitized solar cells (DSSCs) have garnered significant attention due to their cost-effectiveness and ease of fabrication; however, the performance of counter electrodes (CEs) remains a critical factor in optimizing efficiency. In this study, we investigate the synergistic role of a polyethylene oxide (PEO)/copper oxide (CuO)/graphene (G) composite (PEO/CuO/G) as a CE for DSSCs, employing both theoretical modeling and experimental validation. DFT calculations were used for investigating PEO hybridization nanocomposites with different metal oxides, including MgO, SiO 2 , TiO 2 , NiO, CuO, ZnO, and ZrO 2 . The electronic properties analysis revealed that CuO is the most effective metal oxide in boosting the PEO polymer matrix, with a total dipole moment (TDM) of 10.482 Debye and ∆E of 0.422 eV. G is intended to strengthen the electrical characteristics of PEO/CuO by hybridizing with the optimal metal oxide. The hybrid composite of PEO/CuO/G showed significant improvement in electronic properties, with TDM of 18.7938 Debye ∆E 0.2566 eV. Interestingly, the morphological characteristics, electrical conductivity, surface roughness, and electrochemical properties of pure PEO, CuO, G, and PEO/CuO/G composites were systematically analyzed using Scanning Electron Microscopy (SEM), surface roughness, and electrical conductivity measurements. The results demonstrated a gradual enhancement in solar cell performance, with the optimized PEO/CuO/G composite exhibiting superior electrical conductivity (12.56 S/m), high surface roughness (8.1 µm), and an interconnected conductive network, facilitating efficient charge transfer. Photovoltaic (PV) measurements revealed a systematic improvement in short-circuit current density (J sc ) from 11.428 mA/cm 2 (PEO) to 16.916 mA/cm 2 (PEO/CuO/G) and fill factor (FF) from 63.4 to 65.1%, leading to a notable enhancement in overall efficiency from 4.33% to 6.42%. The observed improvements are attributed to the combined effects of CuO’s catalytic properties and graphene’s high electrical conductivity, forming a stable, efficient CE material. Theoretical modeling further supports these findings by demonstrating enhanced electron transport and reduced charge recombination within the composite structure. This study highlights the potential of PEO/CuO/G as a low-cost and high-performance CE for DSSCs, paving the way for further optimization in next-generation solar energy aerospace applications.

This study investigates the modification of polylactic acid (PLA) by the incorporation of graphene oxide (GO) and metal oxides (ZnO and CuO), with the aim of developing efficient CO₂ sensors. Key properties, including total dipole moment (TDM), energy gap (ΔE), molecular electrostatic potential (MESP), and density of states (DOS), were calculated using density functional theory (DFT) to gain insight into the interactions between the composites and CO₂ gas. Experimental techniques such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and optical confocal microscopy were used to validate the material composition and bonding mechanisms. The analysis revealed the presence of SiO₂ impurities in the PLA matrix, which could potentially affect the sensing behavior of the composite. The composites demonstrated effective CO₂ sensing capabilities in experimental tests. This combined theoretical and experimental approach demonstrates that PLA/GO/metal oxide composites offer significant potential for sustainable CO₂ sensing, contributing to air quality monitoring and greenhouse gas regulation.