Prediction of swirling confined diffusion flame with a Monte Carlo and a presumed-PDF-model

This work aims to compare numerical results obtained by using the Monte Carlo composition-PDF method and a presumed-β-PDF in order to reveal their effects on the prediction of flow and scalar fields in swirling confined methane diffusion flame. Using the intrinsic low dimensional manifolds method for modelling the chemistry and a second moment closure for the turbulence, it is shown that both PDF-methods provide a similar accuracy level of the prediction of mean quantities. While the presumed-β-PDF performs using reasonable computational efforts, the Monte Carlo-PDF allows to capture well the turbulence-chemistry interaction and strong finite-chemistry effects such as local extinction.     

Therapeutic Vaccines for HPV-Associated Oropharyngeal and Cervical Cancer: The Next De-Intensification Strategy?

The rise in human papillomavirus (HPV)-associated oropharyngeal squamous cell carcinoma (OPSCC) has prompted a quest for further understanding of the role of high-risk HPV in tumor initiation and progression. Patients with HPV-positive OPSCC (HPV+ OPSCC) have better prognoses than their HPV-negative counterparts; however, current therapeutic strategies for HPV+ OPSCC are overly aggressive and leave patients with life-long sequalae and poor quality of life. This highlights a need for customized treatment. Several clinical trials of treatment de-intensification to reduce acute and late toxicity without compromising efficacy have been conducted. This article reviews the differences and similarities in the pathogenesis and progression of HPV-related OPSCC compared to cervical cancer, with emphasis on the role of prophylactic and therapeutic vaccines as a potential de-intensification treatment strategy. Overall, the future development of novel and effective therapeutic agents for HPV-associated head and neck tumors promises to meet the challenges posed by this growing epidemic.     

A Study on the Impact of the Adhesion of Penicillium expansum on the Physicochemical Surface Properties of Cedar Wood

The sessile drop technique was used to investigate the evolution of the physicochemical properties of cedar wood as a function of contact time with the Penicillium expansum spores. The most important finding showed that the impact of different contact periods (2, 4, 6, 8, 10, and 24 hr) on the wood surface were very indicative. In fact, after 2 hr of contact, the results have shown a significant impact of the bioadhesion of spores to the substrate on both the hydrophobic character (θ_W = 108.5°; ΔGiwi = ?28.25 mJ/m²), the electron donor (γ^? = 13.63 mJ/m²), and the electron acceptor (γ⁺ = 4.35 mJ/m²) parameters that were significantly reduced compared to the initial wood (θ_W = 118.5°; ΔGiwi = ?6.29 mJ/m²; γ^? = 32.1 mJ/m²; and γ⁺ = 9.1 mJ/m²). In addition, this decrease of parameters continued over time to stabilize after 10 hr of contact. Indeed, after 24 hr, the acid/base properties were almost zero and the contact angle with water decreased to 30°. Moreover, it was found that the coefficient of correlation (r²) was strong between the contact angle with water, the surface energy, and the electron acceptor character with the contact time parameter with values (r² = 0.65), (r² = 0.79), and (r² = 0.68), respectively.     

A Fuel‐Flexible Alkaline Direct Liquid Fuel Cell

We constructed a fuel‐flexible fuel cell consisting of an alkaline anion exchange membrane, palladium anode, and platinum cathode. When an alcohol fuel was used with potassium hydroxide added to the fuel stream and oxygen was the oxidant, the following maximum power densities were achieved at 60 °C: ethanol (128 mW cm⁻²), 1‐propanol (101 mW cm⁻²), 2‐propanol (40 mW cm⁻²), ethylene glycol (117 mW cm⁻²), glycerol (78 mW cm⁻²), and propylene glycol (75 mW cm⁻²). We also observed a maximum power density of 302 mW cm⁻² when potassium formate was used as the fuel under the same conditions. However, when potassium hydroxide was removed from the fuel stream, the maximum power density with ethanol decreased to 9 mW cm⁻² (using oxygen as oxidant), while with formate it only decreased to 120 mW cm⁻² (using air as the oxidant). Variations in the performance of each fuel are discussed. This fuel‐flexible fuel cell configuration is promising for a number of alcohol fuels. It is especially promising with potassium formate, since it does not require hydroxide added to the fuel stream for efficient operation.     

Poly(methacrylic acid)‐bound dihydroxybenzene units: Redox polymers

Poly(methacrylic acid) (PMAA) was functionalized with a hydroquinone/catechol under the reaction conditions of Minisci. Optimum conditions for maximum functionalization (52%) were found to be as follows: [benzoquinone]/[PMAA] ratio, 0.75; reaction time, 3 h; temperature, 75°C; and a nitrogen atmosphere. Redox properties of hydroquinone/catechol‐modified PMAA (PMAA‐HQ) were evaluated by their midpotentials potentiometrically estimated to be 898 mV at 20°C. At 35°C, a two‐stage oxidation was observed with a midpotential of 1000 mV. These midpotentials were found to be higher than those of hydroquinone, catechol, and a 1 : 1 hydroquinone‐catechol mixture, under the same conditions of potentiometric titration. Under the modification reaction conditions, the modified PMAA underwent severe degradation. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 100: 954–961, 2006     

Nitrogen-doped reduced graphene oxide/Fe2O3 hybrid as efficient catalyst for ammonium nitrate

In this investigation, we successfully synthesized a hybrid material, N-rGO@Fe₂O₃, via a one-step hydrothermal process, comprising nitrogen-doped reduced graphene oxide and α-Fe₂O₃. Thorough characterization using diverse analytical methods validated its structure. Employing this hybrid composite as a catalyst, we studied its efficacy in the catalytic thermal decomposition of ammonium nitrate (AN). The N-rGO@Fe₂O₃/AN composite was prepared using a recurrent spray coating method with 3 % mass of the hybrid material. Thermo-gravimetric (TG) and differential scanning calorimetric (DSC) analyses were employed to investigate the catalytic effect. Computational assessment of Arrhenius parameters was conducted through isoconversional kinetic approaches. Results from the kinetic analysis allowed the determination of the critical ignition temperature. Furthermore, calorific values for pure AN and N-rGO@Fe₂O₃/AN were measured using an oxygen calorimetric bombe, revealing a 41 % reduction in activation energy barrier and a lowering of the critical ignition temperature from 292 °C to 283 °C upon incorporation of the hybrid material. Notably, the surface modification of AN with N-rGO@Fe₂O₃ resulted in an increase of 1440 J/g in the observed calorific values. These findings highlight the potential of N-rGO@Fe₂O₃ as an effective catalyst, offering promising implications for applications in enhancing ammonium nitrate thermal decomposition.     

Study of marine bacteria adhesion on sea-immersed 304 and 316 stainless steels: experimental and theoretical investigations

In this study, we investigated the potential adhesion of marine bacteria isolated from seawater in the port of Chmaâla, Morocco, to sea-immersed 304 and 316 stainless steels using thermodynamic approach and the Environmental Scanning Electron Microscopy (ESEM). Furthermore, the physicochemical properties including hydrophobicity and electron donor / electron acceptor (Lewis acid-base) of bacterial isolates and both substrates were evaluated using the contact angle measurements. The molecular identification indicated that the isolated strains were Bacillus thuringiensis and Bacillus amyloliquefascience. Results also showed that both bacterial strains’s cells have a hydrophilic character with Δ_Giwi values of 29.30 and 24.12 mJ m^?2 respectively for Bacillus thuringiensis and Bacillus amyloliquefascience, and are strong electron donating (γ^?) and weakly electron accepting (γ⁺). For substrates surfaces, we found that both sea-immersed stainless steels types were hydrophilic and present strong electron-donor character (γ^? = 49 ± 0.2 mJ m^?2 for 304 and γ^? = 55.07 ± 0.02 mJ m^?2 for 316) and weak electron-acceptor character (γ⁺ = 5.4 ± 0.1 mJ m^?2 for 304 and γ⁺ = 8.3 ± 0.06 mJ m^?2 for 316). The theoretical prediction showed that both tested strains, B. thuringiensis and B. amyloliquefascience, exhibited positive values of ΔG^Total vis-à-vis the two sea-immersed stainless steels types which indicates unfavorable adhesion while the ESEM electro-micrographs show that both strains were able to adhere to both strainless steels surfaces.     

Anti-Hepatocellular Carcinoma Biomolecules: Molecular Targets Insights

This report explores the available curative molecules directed against hepatocellular carcinoma (HCC). Limited efficiency as well as other drawbacks of existing molecules led to the search for promising potential alternatives. Understanding of the cell signaling mechanisms propelling carcinogenesis and driven by cell proliferation, invasion, and angiogenesis can offer valuable information for the investigation of efficient treatment strategies. The complexity of the mechanisms behind carcinogenesis inspires researchers to explore the ability of various biomolecules to target specific pathways. Natural components occurring mainly in food and medicinal plants, are considered an essential resource for discovering new and promising therapeutic molecules. Novel biomolecules normally have an advantage in terms of biosafety. They are also widely diverse and often possess potent antioxidant, anti-inflammatory, and anti-cancer properties. Based on quantitative structure–activity relationship studies, biomolecules can be used as templates for chemical modifications that improve efficiency, safety, and bioavailability. In this review, we focus on anti-HCC biomolecules that have their molecular targets partially or completely characterized as well as having anti-cancer molecular mechanisms that are fairly described.