The reaction paths of the C-C and C-H bond cleavage in the anthracene and phenanthrene aromatic molecules are studied by applying the ab-initio DFT method. It is found that the C-C bond cleavage proceeds via a singlet aromatic transition state, compelled through a disrotatoric ring opening reaction. A suprafacial H atom shift follows the transition state, leading to the formation of a methylene -CH2 and an acetylenic or allenic moiety. The calculated activation energies for anthracene range from 158.81-208.90 kcal/mol and the reaction energies from 96.106-156.976 kcal/mol. For phenanthrene, the energy values are 157.39-202.34 kcal/mol and 62.639-182.423 kcal/mol, respectively. For the C-H cleavage reactions, the calculated reaction energies for all C-H bonds in both molecules are almost similar, 116-117 kcal/mol. The activation energy values for anthracene and phenanthreneare 149.75-161.27 and 161.24-163.00 kcal/mol, respectively.
The possible effects of COVID-19 vaccines on reproductive health and male fertility in particular have been discussed intensely by the scientific community and the public since their introduction during the pandemic. On news outlets and social media platforms, many claims have been raised regarding the deleterious effects of COVID-19 vaccines on sperm quality without scientific evidence. In response to this emerging conflict, we designed this study to evaluate and assess the effect of the Pfizer-BioNTech mRNA COVID-19 vaccine on male fertility represented by the semen analysis parameters.
Changing oil-wet surfaces toward higher water wettability is of key importance in subsurface engineering applications. This includes petroleum recovery from fractured limestone reservoirs, which are typically mixed or oil-wet, resulting in poor productivity as conventional waterflooding techniques are inefficient. A wettability change toward more water-wet would significantly improve oil displacement efficiency, and thus productivity. Another area where such a wettability shift would be highly beneficial is carbon geo-sequestration, where compressed CO2 is pumped underground for storage. It has recently been identified that more water-wet formations can store more CO2. We thus examined how silica based nanofluids can induce such a wettabil
... Show MoreThe study focused on examining the behavior of six concrete beams that were reinforced with glass fiber-reinforced polymer (GFRP) bars to evaluate their performance in terms of their load-carrying capacity, deflection, and other mechanical properties. The experimental investigation would provide insights into the feasibility and effectiveness of GFRP bars as an alternative to traditional reinforcement materials like steel bars in concrete structures. The GFRP bars were used in both the longitudinal and transverse directions. Each beam in the study shared the following specifications: an overall length of 2,400 mm, a clear span of 2,100 mm, and a rectangular cross-section measuring
This study aimed to develop a stable nanosuspension of repaglinide and improve its dissolution, using the Nano-precipitation method, involving a different concentration of a stabilizer, different co-stabilizers and different solvents. Employment of a systemic approach to optimize the formulation parameters, including stabilizer concentration, solvent choice and co-stabilizer election. Soluplus® (SOL) was used as the primary stabilizer for this research, polyvinyl alcohol (PVA), poloxamer 188 (PXM 188), tween 80 (TW80), and polyvinyl pyrrolidine (PVP k30) were investigated as co-stabilizers to prevent particle agglomeration and ensure long-term stability. In addition to ethanol as a primary solvent, acetone and chloroform were used
... Show MoreUnderstanding how wing geometry and internal structural configuration influence vibration behavior is essential for ensuring the aeroelastic stability and structural integrity of modern aircraft. This study presents a comprehensive numerical investigation of the modal and deflection characteristics of aircraft wings with different geometries (symmetric tapered planform and swept-back) and spar configurations (box and I-section) using the finite element method (FEM) in ANSYS Mechanical APDL R.15. Six NACA airfoil profiles (0024, 2411, 2416, 2424, 4412, and 4421) with angle of attack 9° under 50 m/s speed and 1,100 kg pay load were analyzed under identical aerodynamic and material conditions using linear elasti
... Show MoreBackground: The aim of this study is to evaluate the color change ∆E of the dental enamel following treatment with 2 kinds of protector (icon infiltrant, clinpro varnish) before fixed orthodontic treatment to avoid the possible white spot lesions. Materials and Methods: Fifty four subjects treated with fixed appliances were divided into 3 groups: the 1st group was control, while the 2nd and 3rd groups were treated with icon infiltrant and clinpro varnish before bonding procedure, respectively. Color parameters (L,a,b) were recorded for the middle and gingival thirds before and after bonding procedure to get the ∆E of each group. Results: One-way ANOVA test showed a non-significant difference in ∆E between the 3 groups a
... Show MoreThe chromatographic behaviour of liquid crystalline compounds benzylidene-p-aminobenzoic acid and 4-(p-methyl benzylidene)-p-aminobenzoic acid as stationary phases for the separation of dimethylphenol isomers was investigated. These isomers were analysed on benzylidene-p-aminobenzoic acid within a nematic range of 169-194 ◦C with a temperature interval of 5 ◦C. Better peak resolution was at a column temperature of 190 ◦C. The analysis was repeated on a 4-(p-methyl benzylidene)-p-aminobenzoic acid column at a nematic temperature of 256 ◦C, which represented the end of the nematic range, and gave the optimum peak resolution. It was found that isomer better separation was obtained at 20% loading for both liquid crystal materials. Other
... Show More