Prediction of a Turbulent Non-Premixed Natural Gas Flame in a Semi-Industrial Scale Furnace using a Radiative Flamelet Combustion Model

A mixedness-reactedness flamelet combustion model coupled with a comprehensive radiation heat transfer model based on the discrete transfer method of solution of the radiative transport equation is applied for the simulation of a 3 MW non-swirling turbulent non-premixed natural gas flame in the experimental furnace at the International Flame Research Foundation. In the calculation, turbulence is represented by the standard k − ε and a differential Reynolds-stress model. Predictions are compared with measurements of mean gas velocity, temperature, major species concentrations and incident radiation wall flux. The radiative mixedness-reactedness flamelet combustion model, irrespective of the model for turbulence, is able to reproduce the basic structure of the experimental flame, which is stabilised downstream of the burner nozzle. In the near burner region, encompassing the non-reacting lift-off zone, good quality predictions are obtained using both the turbulence models, whereas further downstream, within the combusting zone of the jet, the Reynolds-stress turbulence model generates better predictions at and about the furnace axis. The nitric oxide (NO) formation via the thermal- and prompt-NO routes was also calculated and compared with in-flame and flue-gas NO data. The measured NO level at the furnace exit is well reproduced in the calculation, however discrepancies exist near the burner where NO concentrations around the furnace axis are overpredicted.     

Biosynthetic studies and genetic engineering of pactamycin analogs with improved selectivity toward malarial parasites

Pactamycin, one of the most densely functionalized aminocyclitol antibiotics, has pronounced antibacterial, antitumor, antiviral, and antiplasmodial activities, but its development as a clinical drug was hampered by its broad cytotoxicity. Efforts to modulate the biological activity by structural modifications using synthetic organic chemistry have been difficult because of the complexity of its chemical structure. However, through extensive biosynthetic studies and genetic engineering, we were able to produce analogs of pactamycin that show potent antimalarial activity, but lack significant antibacterial activity, and are about 10-30 times less toxic than pactamycin toward mammalian cells. The results suggest that distinct ribosomal binding selectivity or new mechanism(s) of action may be involved in their plasmodial growth inhibition, which may lead to the discovery of new antimalarial drugs and identification of new molecular targets within malarial parasites.     

Introducing a modified gradient vector method for optimization of accident prediction non-linear functions

In this paper, a new optimization method has been proposed for accident prediction non-linear models. This has been achieved by eliminating the Hessian matrix from the equation of optimal pace length in the gradient vector method. One advantage is that it is independent of the starting point in optimization processes and it provides convergence at the highest top as well. This method has been tested on an accident prediction model and its preference over the gradient vector method has been proven.     

Phytochemical Analysis and Understanding the Antioxidant and Anticancer Properties of Methanol Extract from Litsea glutinosa: In Vitro and In Vivo Studies

Litsea glutinosa (L. glutinosa) is considered an evidence-based medicinal plant for the treatment of cancer, the leading cause of death worldwide. In our study, the in vitro antioxidant and in vivo anticancer properties of an essential ethno-medicinal plant, L. glutinosa, were examined using non-toxic doses and a phytochemical analysis was executed using gas-chromatography–mass-spectrometry. The in vitro antioxidant study of the L. glutinosa methanolic extract (LGBME) revealed a concentration-dependent antioxidant property. The bark extract showed promising antioxidant effects in the 2,2-diphenyl-1-picryl-hydrazyl (DPPH) assay. The strongest antioxidant activity was demonstrated at the maximum concentration (50 µg/mL). The IC₅₀ values of the LGBME and BHT were 5.51 and 5.01 µg/mL, respectively. At the same concentration, the total antioxidant capacity of the LGBME was 0.161 µg/mL and the ferric reducing antioxidant power assay result of the LGBME was 1.783 µg/mL. In the cytotoxicity study, the LD₅₀ of the LGBME and gallic acid were 24.93 µg/mL and 7.23 µg/mL, respectively. In the in vivo anticancer-activity studies, the LGBME, particularly at a dose of 150 mg/kg/bw, showed significant cell-growth inhibition, decreased tumor weight, increased mean survival rate, and upregulated the reduced hematological parameters in EAC (Ehrlich’s ascites carcinoma)-induced Swiss albino mice. The highest cell-growth inhibition, 85.76%, was observed with the dose of 150 mg/kg/bw. Furthermore, the upregulation of pro-apoptotic genes (p53, Bax) and the downregulation of anti-apoptotic Bcl-2 were observed. In conclusion, LGBME extract has several bioactive phytoconstituents, which confirms the antioxidant and anticancer properties of L. glutinosa.     

Functional analysis of the validamycin biosynthetic gene cluster and engineered production of validoxylamine A

A 45 kb DNA sequencing analysis from Streptomyces hygroscopicus 5008 involved in validamycin A (VAL-A) biosynthesis revealed 16 structural genes, 2 regulatory genes, 5 genes related transport, transposition/integration or tellurium resistance; another 4 genes had no obvious identity. The VAL-A biosynthetic pathway was proposed, with assignment of the required genetic functions confined to the sequenced region. A cluster of eight reassembled genes was found to support VAL-A synthesis in a heterologous host, S. lividans 1326. In vivo inactivation of the putative glycosyltransferase gene (valG) abolished the final attachment of glucose for VAL production and resulted in accumulation of the VAL-A precursor, validoxylamine, while the normal production of VAL-A could be restored by complementation with valG. The role of valG in the glycosylation of validoxylamine to VAL-A was demonstrated in vitro by enzymatic assay.     

Carbamate Formation and Amine Protonation Constants in 2-Amino-1-Butanol–CO<Subscript>2</Subscript>–H<Subscript>2</Subscript>O System and Their Temperature Dependences

The apparent protonation constant of an amino butanol (AB) and its carbamate formation constant in the CO₂–H₂O–AB system were determined at T = 298.15–328.15 K, and at various ionic strengths up to 0.2 mol·L^?1 by potentiometric titration. The Debye–Hückel equation was used to extrapolate the protonation constants to zero ionic strength. The variation of the thermodynamic equilibrium constant for carbamate formation with temperature was modeled according to the relationship of log₁₀ K₁ = 280.91/T ? 0.1105, while the temperature dependency of the amine protonation constant was correlated by log₁₀ K₂ = 1926.53/T + 2.9482. Van’t Hoff type plots of the pK values showed linear relationships indicating that the standard enthalpy changes of reaction are constant over this range of temperatures. Hence, our current findings are crucial for designing efficient unit operations involving separation of CO₂ from natural or flue gases.     

Triazole-linked dendro[60]fullerenes: modular synthesis via a ‘click’ reaction and acidity-dependent self-assembly on the surface

A series of Fréchet-type dendron functionalized [60]fullerene derivatives that bear a 1,2,3-triazole linkage group, referred to as triazole-linked dendro[60]fullerenes, were prepared via a modular synthetic protocol based on a Cu-catalyzed [3+2] cycloaddition (‘click’) reaction. Electronic properties of these dendro[60]fullerenes were investigated by UV-vis spectroscopy and cyclic voltammetry. Interfacial supramolecular self-assembly behavior of these dendro[60]fullerenes was studied using atomic force microscopy (AFM). The resulting self-assemblies showed different nanoscale packing geometries and morphologies on the surface, which are controllable by parameters such as the generation of dendron, the nature of peripheral functionalities, and the experimental conditions (e.g., acidity) applied. Correlations between molecular structure and self-assembling outcome were surveyed and discussed. The results of this study suggest a new avenue to gain better ‘bottom-up’ control over the self-assembly of dendrimer-fullerene hybrid materials in terms of shape and size.     

Sur les solutions continues de deux équations fonctionnelles

Sans résumé

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Dedié à János Aczél à l'occasion de son 60ème anniversaire