An efficient PDF calculation of flame temperature and major species in turbulent non-premixed flames

In spite of recent developments in the PDF calculations of turbulent flames, the high computational time required to implement PDF simulations makes it intractable in practical applications. Therefore, it is important to design and select different parameters for PDF calculation of most important quantities, i.e. temperature and major species means, in an efficient manner. The ingredients of the present model are a standard k$k$–ε$\epsilon$ turbulence closure for modeling flow field and a joint composition PDF closure for the scalar fields. A modified Curl model is applied to consider molecular mixing in PDF transport equation and a simplified two-step mechanism which lowers the computational cost is incorporated to describe the chemistry. The flow field is solved numerically using an upwind discretization for the convective terms and a central discretization for the diffusion terms by coupling it with an Eulerian Monte Carlo algorithm to solve PDF transport equation. To show the superiority of the current PDF calculations over traditional moment-closure methods commonly used in practical applications, simulation is also performed by RANS method which shows large discrepancies, especially in prediction of maximum flame temperature (on the basis of present results, predicted flame temperature has 26%$26\%$ error via RANS method and 8%$8\%$ error via PDF method). Stoichiometric flame length predicted by RANS has 10%$10\%$ error while, by PDF method, this error is negligible and about 0.6%$0.6\%$. The effect of coefficient _CΦ$C_{\Phi }$ on the modified Curl model is also investigated and it is concluded that the commonly used value _CΦ=2.0$C_{\Phi }=2.0$ is the best choice for the case of study. The numerical results obtained reveal that Westbrook–Drier mechanism is working very well in fuel-lean (F<_Fst$F<F_{\mathit{st}}$) non-premixed combustion and also it predicts the total heat released in methane combustion in a very good agreement with the experiment.     

Certain strict topologies on the space of regular Borel measures on locally compact groups

Let G   denote a locally compact Hausdorff group and M(G)$M(G)$ be the space of all bounded complex-valued regular Borel measures on G  . In this paper, we define two strict topologies on M(G)$M(G)$ and study various properties of these topologies such as metrizability, barrelledness and completeness. We also determine the dual space of M(G)$M(G)$ and consider various continuity properties for the convolution product on M(G)$M(G)$ under these topologies.     

Bone regeneration based on nano-hydroxyapatite and hydroxyapatite/chitosan nanocomposites: an in vitro and in vivo comparative study

Surface morphology, surface wettability, and size distribution of biomaterials affect their in vitro and in vivo bone regeneration potential. Since nano-hydroxyapatite has a great chemical and structural similarity to natural bone and dental tissues, incorporated biomaterial of such products could improve bioactivity and bone bonding ability. In this research, nano-hydroxyapatite (23 ± 0.09 nm) and its composites with variety of chitosan content [2, 4, and 6 g (45 ± 0.19, 32 ± 0.12, and 28 ± 0.12 nm, respectively)] were prepared via an in situ hybridization route. Size distribution of the particles, protein adsorption, and calcium deposition of powders by the osteoblast cells, gene expression and percentage of new bone formation area were investigated. The highest degree of bone regeneration potential was observed in nano-hydroxyapatite powder, while the bone regeneration was lowest in nano-hydroxyapatite with 6 g of chitosan. Regarding these data, suitable size distribution next to size distribution of hydroxyapatite in bone, smaller size, higher wettability, lower surface roughness of the nano-hydroxyapatite particles and homogeneity in surface resulted in higher protein adsorption, cell differentiation and percentage of bone formation area. Results obtained from in vivo and in vitro tests confirmed the role of surface morphology, surface wettability, mean size and size distribution of biomaterial besides surface chemistry as a temporary bone substitute.     

Antiferromagnetic half-metallicity of transition metal nitrides under volume expansion

The transition metal pnictides ABX₂ have been recently proposed as half-metallic fully compensated ferrimagnets, also briefly referred to as half-metallic “antiferromagnets” [N. Long, M.Ogura, H. Akai, J. Phys.: Condens. Matter 21, 064241 (2009)]. In this work we carry out a systematic study of the more promising cases of the transition metal nitrides MnCoN₂ and NiCrN₂ on the basis of density functional theory in the framework of full-potential linearized augmented plane wave method. The electronic structures and the magnetic properties of the above hypothetical compounds in Zinc-blende-type, NaCl-type, and Wurtzite-type structure are calculated within generalized gradient approximation. The results reveal that, although these compounds are metallic in their bulk equilibrium in all three structures, they exhibit antiferromagnetic half-metallicity under negative stress or volume expansion in a limited range of lattice parameters, which is significantly larger than the equilibrium values. This suggests that a situation in which half-metallicity may arise, is when these compounds are coated on semiconducting layers of larger lattice constant.     

A presentation for reduced extended affine weyl groups

In 1985 K. Saito [Sal] introduced the concept of an extended affine Weyl group (EAWG), the Weyl group of an extended affine root system (EARS). In [A2, Section 5J, we gave a presentation called “a presentation by conjugation” for the class of EAWGs of index zero, a subclass of EAWGs. In this paper we will give a presentation wh.ich we call a “generalized present.ation by conjugation” for the class of reduced EAWGs. If the extended affine Weyl group is of index zero this presentation reduces to “a presentation by conjugation”. Our main result states that when the nullity of the EARS is 2, these two presentations coincide that is, EAWGs of nullity 2 have “a presentation by conjugation”. In [ST] another presentation for EAWGs of nullity 2 is given.     

Nylon Intermediates from Bio‐Based Levulinic Acid

Use of ZrO₂/SiO₂ as a solid acid catalyst in the ring‐opening of biobased γ‐valerolactone with methanol in the gas phase leads to mixtures of methyl 2‐, 3‐, and 4‐pentenoate (MP) in over 95 % selectivity, containing a surprising 81 % of M4P. This process allows the application of a selective hydroformylation to this mixture to convert M4P into methyl 5‐formyl‐valerate (M5FV) with 90 % selectivity. The other isomers remain unreacted. Reductive amination of M5FV and ring‐closure to ?‐caprolactam in excellent yield had been reported before. The remaining mixture of 2‐ and 3‐MP was subjected to an isomerising methoxycarbonylation to dimethyl adipate in 91 % yield.     

An efficient one‐pot procedure for the preparation of 1,3,4‐thiadiazoles in ionic liquid [bmim]BF4 as dual solvent and catalyst

The one‐pot three component condensation of hydrazine hydrate with substituted phenylisothiocyanates followed by the addition of substituted benzaldehydes in the presence of ionic liquid 1‐butyl‐3‐methylimidazolium tetrafluoroborate ([bmim]BF₄) and in the absence of any other catalyst under mild condition afforded 1,3,4‐thiadiazoles in excellent yields. The reaction workup is simple, and the ionic liquid was easily recovered from the reaction and reused. © 2008 Wiley Periodicals, Inc. Heteroatom Chem 19:320–324, 2008; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20432     

Evaluation of new 99mTc-labeled HYNIC-bombesin analogue for prostate cancer imaging

Journal of Radioanalytical and Nuclear Chemistry - In this study, we introduce a new 99mTc-radiolabeled bombesin derivative for imaging of prostate cancer (PC). We used 6-hydrazinonicotinamide...     

Lectin-based electrophoretic analysis of the expression of the 35 kDa inter-alpha-trypsin inhibitor heavy chain H4 fragment in sera of patients with five different malignancies

A 35 kDa glycoprotein whose abundance was previously demonstrated to be enhanced in sera of patients with endometrial adenocarcinoma (n = 12), was isolated from pooled sera of three of the cancer patients using champedak galactose-binding lectin affinity chromatography in the present study. Subjecting it to 2-DE and MS/MS, the glycoprotein was identified as the O-glycosylated fragment of inter-alpha-trypsin inhibitor heavy chain H4 (ITIH4). When compared to control sera (n = 17), expression of the 35 kDa ITIH4 cleavage fragment was demonstrated to be significantly enhanced in sera of patients with breast carcinoma (n = 10), epithelial ovarian carcinoma (n = 10), and germ cell ovarian carcinoma (n = 10) but not in patients with nasopharyngeal carcinoma (n = 13) and osteosarcoma (n = 7). The lectin-based electrophoretic bioanalytical method adopted in the present study may be used to assess the physiological relevance of ITIH4 fragmentation and its correlation with different malignancies, their stages and progression.     

C-H activation in bithiazole ring with thallium(III) ion

Two novel organometallic complex of 2,2′-dimethyl-4,4′-bithiazole (dm4bt) ligand (L) with formula [Tl(dm4bt)₂(NO₃)(H₂O)] (1) and [Tl(dm4bt)₂(NO₃)(DMSO)] (2) have been synthesized and structurally characterized by elemental analysis, FT-IR, ¹H NMR spectra and X-ray crystallography. These complexes also display the first transoid conformation in bithiazole ligands in which C-H bond activation in bithiazole ring is observed with Tl(III) ion.