Soot and Spectral Radiation Modeling for High-Pressure Turbulent Spray Flames

A transported probability density function (PDF) method and a photon Monte Carlo/line-by-line (PMC/LBL) spectral model are exercised to generate physical insight into soot processes and spectral radiation characteristics in transient high-pressure turbulent n-dodecane spray flames, under conditions that are relevant for compression-ignition piston engines. PDF model results are compared with experimental measurements and with results from a locally well-stirred reactor (WSR) model that neglects unresolved turbulent fluctuations in composition and temperature. Computed total soot mass and soot spatial distributions are highly sensitive to the modeling of unresolved turbulent fluctuations. To achieve reasonable agreement between model and experiment and to capture the highly intermittent nature of soot in the turbulent flame, it is necessary to accurately represent mixing and the low diffusivity of soot particles. This is accomplished in the PDF framework using a mixing model that enforces locality in the gas-phase composition space, while not mixing the transported soot variables. The results suggest that mixing is at least as important as kinetics in controlling soot formation and evolution in high-pressure turbulent flames. Regarding radiation, radiant fractions and global influences of radiation in these flames are relatively small. Nevertheless, an examination of spectral radiative heat transfer provides valuable insight into the nature and modeling of radiation in high-pressure turbulent combustion systems. There are complex spectral interactions that are revealed using PMC/LBL. CO2 dominates the total radiative emission and reabsorption, but most of the emitted CO2 radiation is reabsorbed before reaching the walls. On the other hand, most of the emitted soot radiation reaches the walls, but soot radiation is a small contribution overall; H2O dominates the radiation that reaches the walls. Global turbulence–radiation interactions (TRI) effects are small, but radiative emission from soot increases by approximately a factor two when TRI are considered. Radiative transfer contributes both to energy redistribution in the vessel and to wall heat losses. The results suggest that a simple model that considers soot radiation and the principal CO2 and H2O spectral bands might be sufficient to capture the key influences of radiation in engine CFD. It is expected that these findings will contribute to the development of truly predictive CFD models for engines and other high-pressure turbulent combustion systems

The Continuation of the North Anatolian Fault within the Sea of Marmara

Marmara Denizi’nde toplanmış olan 2200 km’lik çok-kanallı sismik yansıma hatlarının değerlendirilmesi esnasında, kuzey çukurluklarını örten çok ışınlı derinlik verisinden faydalanılmıştır. Çok-kanallı sismik yansıma verileri İTÜ Jeofizik Mühendisliği Bölümü Nezihi Canıtez Veri İşlem Laboratuvar’ında Disco-Focus yazılım paketi ile işlenmiştir. Marmara Denizi’nin kuzey kesiminin şu anda sürekli faal doğrultu-atımlı bir fay sistemi ile kesildiği sonucuna ulaşılmıştır ve bu fay, Marmara Fayı olarak adlandırılmıştır. Marmara Fayı, Marmara Denizi doğusundaki 270°’lik İzmit Fayı’nı, denizin batısındaki 245°’lik Ganos Fayı’na bağlar. Marmara Fayı iki ana doğrultuya sahiptir. Fay, Marmara Denizi’nin 2/3’lük batı kısmında 130 km uzunluğunda ve 265° yönünde uzanırken, doğu kısmında ise 70 km’nin üzerinde 295° doğrultusunda uzanmaktadır.Anahtar Kelimeler: Marmara Denizi bölgesi, faal faylar, çok kanallı yöntemler, sismik, derinlik bilgisi.We analyze 2200 km of multi-channel seismic reflection profiles that have become recently available in the Sea of Marmara. This analysis benefits from the recent acquisition of multi-beam bathymetric data covering the axial portion of the northern basins. We conclude that the northern Sea of Marmara is at present cut by an active continuous strike-slip fault system, that we call the Marmara Fault. It links the 270° İzmit portion of the northern branch of the North Anatolian Fault to the east of the sea to the 245° Ganos Fault to the west. The Marmara Fault which is the continuation of the Ganos Fault in the Sea of Marmara with the 265° extent and approximately 130 km length is followed as a fault offset the Tekirdağ Basin, Western High, Central Basin and Central High. At the northeastern extremity of the Sea of Marmara, it turns southeast toward the northern margin of the Çınarcık Basin. It extends about 70 km in a 295° direction in the Çınarcık Basin. There is thus a 25° clockwise rotation with respect to the 270° İzmit Fault strand that should result in a slight extensional component. Certainly when it is called Marmara Fault, it should be considered the Marmara Fault Zone (MFZ) at the same time. The corridor that followed by microearthquake activity in the Sea of Marmara is the seismological evidence that also support the Marmara Fault Zone term.Keywords: Sea of Marmara region, active faults, multichannel methods, seismics, bathymetry

Oxygen reduction by decamethylferrocene at liquid/liquid interfaces catalyzed by dodecylaniline

Molecular oxygen (O2) reduction by decamethylferrocene (DMFc) was investigated at a polarized water/ 1,2-dichloroethane (DCE) interface. Electrochemical results point to a mechanism similar to the EC type reaction at the conventional electrode/solution interface, in which an assisted proton transfer (APT) by DMFc across the water/DCE interface via the formation of DMFcH+ corresponds to the electrochemical step and O2 reduction to hydrogen peroxide (H2O2) represents the chemical step. The proton transfer step can also be driven using lipophilic bases such as 4-dodecylaniline. Finally, voltammetric data shows that lipophilic DMFc can also be extracted to the aqueous acidic phase to react homogeneously with oxygen

Monitoring of host suitability and defense-related genes in wheat to Bipolaris sorokiniana

Spot blotch caused by Bipolaris sorokiniana is a destructive disease of wheat worldwide. This study investigated the aggressiveness of B. sorokiniana isolates from different wheat-growing areas of Bolu province in Turkey on the cultivar Seri-82. Host susceptibility of 55 wheat cultivars was evaluated against the most aggressive isolate. Our results indicated that the cultivars Anafarta and Koç-2015 were the most resistant. A specific and sensitive qPCR assay was developed for detecting the pathogen in plant tissues and evaluating wheat plants with different resistance levels. Three primer sets, BsGAPDHF/BsGAPDHR, BsITSF/BsITSR, and BsSSUF/BsSSUR, were designed based on glyceraldehyde-3-phosphate dehydrogenase, internal transcribed spacers, and 18S rRNA loci of B. sorokiniana with detection limits of 1, 0.1, and 0.1 pg of pathogen DNA, respectively. The qPCR assay was highly sensitive and did not amplify DNA from the other closely related fungal species and host plants. The protocol differentiated wheat plants with varying degrees of resistance. The assay developed a useful tool for the quantification of the pathogen in the early stages of infection and may provide a significant contribution to a more efficient selection of wheat genotypes in breeding studies. In the present study, expression levels of PR proteins, phenylalanine ammonia-lyase, catalase, ascorbate peroxidase, and superoxide dismutase enzymes were upregulated in Anafarta (resistant) and Nenehatun (susceptible) cultivars at different post-infection time points, but more induced in the susceptible cultivar. The results showed considerable variation in the expression levels and timing of defense genes in both cultivars

An example of secondary fault activity along the North Anatolian Fault on the NE Marmara Sea Shelf, NW Turkey

Seismic data on the NE Marmara Sea Shelf indicate that a NNE-SSW-oriented buried basin and ridge system exist on the sub-marine extension of the Paleozoic Rocks delimited by the northern segment of the North Anatolian Fault (NS-NAF), while seismic and multi-beam bathymetric data imply that four NW-SE-oriented strike-slip faults also exist on the shelf area. Seismic data indicate that NW-SE-oriented strike-slip faults are the youngest structures that dissect the basin-ridge system. One of the NW-SE-oriented faults (F1) is aligned with a rupture of the North Anatolian Fault (NAF) cutting the northern slope of the Cinarcik Basin. This observation indicates that these faults have similar characteristics with the NS-NAF along the Marmara Sea. Therefore, they may have a secondary relation to the NAF since the principle deformation zone of the NAF follows the Marmara Trough in that region. The seismic energy recorded on these secondary faults is much less than that on the NAF in the Marmara Sea. These faults may, however, produce a large earthquake in the long term

Oxygen reduction catalyzed by a fluorinated tetraphenylporphyrin free base at liquid/liquid interfaces

The diprotonated form of a fluorinated free base porphyrin, namely 5-(p-aminophenyl)-10,15,20-tris(pentafluorophenyl)porphyrin (H(2)FAP), can catalyze the reduction of oxygen by a weak electron donor, namely ferrocene (Fc). At a water/1,2-dichloroethane interface, the interfacial formation of H(4)FAP(2+) is observed by UV-vis spectroscopy and ion-transfer voltammetry, due to the double protonation of H(2)FAP at the imino nitrogen atoms in the tetrapyrrole ring. H(4)FAP(2+) is shown to bind oxygen, and the complex in the organic phase can easily be reduced by Fc to produce hydrogen peroxide as studied by two-phase reactions with the Galvani potential difference between the two phases being controlled by the partition of a common ion. Spectrophotometric measurements performed in 1,2-dichloroethane solutions clearly evidence that reduction of oxygen by Fc catalyzed by H(4)FAP(2+) only occurs in the presence of the tetrakis(pentafluorophenyl)borate (TB-) counteranion in the organic phase. Finally, ab initio computations support the catalytic activation of H(4)FAP(2+) on oxygen

Anti-parasitic drug discovery against Babesia microti by natural compounds: an extensive computational drug design approach

Tick-borne Babesiosis is a parasitic infection caused by Babesia microti that can infect both animals and humans and may spread by tick, blood transfusions, and organ transplantation. The current therapeutic options for B. microti are limited, and drug resistance is a concern. This study proposes using computational drug design approaches to find and design an effective drug against B. microti. The study investigated the potentiality of nine natural compounds against the pathogenic human B. microti parasite and identified Vasicinone and Evodiamine as the most promising drugs. The ligand structures were optimized using density functional theory, molecular docking, molecular dynamics simulations, quantum mechanics such as HOMO–LUMO, drug-likeness and theoretical absorption, distribution, metabolism, excretion, and toxicity (ADMET), and pharmacokinetics characteristics performed. The results showed that Vasicinone (−8.6 kcal/mol and −7.8 kcal/mol) and Evodiamine (−8.7 kcal/mol and −8.5 kcal/mol) had the highest binding energy and anti-parasitic activity against B. microti lactate dehydrogenase and B. microti lactate dehydrogenase apo form. The strongest binding energy was reported by Vasicinone and Evodiamine; the compounds were evaluated through molecular dynamics simulation at 100 ns, and their stability when they form complexes with the targeted receptors was determined. Finally, the pkCSM web server is employed to predict the ADMET qualities of specific molecules, which can help prevent negative effects that arise from taking the treatment. The SwissADME web server is used to assess the Lipinski rule of five and drug-likeness properties including topological polar surface area and bioavailability. The Lipinski rule is used to estimate significant drug-likeness. The theoretical pharmacokinetics analysis and drug-likeness of the selected compounds are confirmed to be accepted by the Lipinski rule and have better ADMET features. Thus, to confirm their experimental value, these mentioned molecules should be suggested to carry out in wet lab, pre-clinical, and clinical levels

Matrix metalloproteinases in human melanoma cell lines and xenografts: increased expression of activated matrix metalloproteinase-2 (MMP-2) correlates with melanoma progression

Matrix metalloproteinases (MMPs) and their tissue inhibitors (TIMPs) are involved in tumour progression and metastasis. In this study, we investigated the in vitro and in vivo expression patterns of MMP-1, MMP-2, MMP-3, MMP-9, TIMP-1 and TIMP-2 mRNA and protein in a previously described human melanoma xenograft model. This model consists of eight human melanoma cell lines with different metastatic behaviour after subcutaneous (s.c.) injection into nude mice. MMP-1 mRNA was detectable in all cell lines by reverse transcription polymerase chain reaction (RT-PCR), but the expression was too low to be detected by Northern blot analysis. No MMP-1 protein could be found using Western blotting. MMP-2 mRNA and protein were present in all cell lines, with the highest expression of both latent and active MMP-2 in the highest metastatic cell lines MV3 and BLM. MMP-3 mRNA was expressed in MV3 and BLM, and in the non-metastatic cell line 530, whereas MMP-3 protein was detectable only in MV3 and BLM. None of the melanoma cell lines expressed MMP-9. TIMP-1 and TIMP-2 mRNA and protein, finally, were present in all cell lines. A correlation between TIMP expression level and metastatic capacity of cell lines, however, was lacking. MMP and TIMP mRNA and protein expression levels were also studied in s.c. xenograft lesions derived from a selection of these cell lines. RT-PCR analysis revealed that MMP-1 mRNA was present in MV3 and BLM xenografts, and to a lesser extent in 530. Positive staining for MMP-1 protein was found in xenograft lesions derived from both low and high metastatic cell lines, indicating an in vivo up-regulation of MMP-1. MMP-2 mRNA was detectable only in xenografts derived from the highly metastatic cell lines 1F6m, MV3 and BLM. In agreement with the in vitro results, the highest levels of both latent and activated MMP-2 protein were observed in MV3 and BLM xenografts. With the exception of MMP-9 mRNA expression in 530 xenografts, MMP-3, MMP-9, and TIMP-1 mRNA and protein were not detectable in any xenograft, indicating a down-regulated expression of MMP-3 and TIMP-1 in vivo. TIMP-2 mRNA and protein were present in all xenografts; interestingly, the strongest immunoreactivity of tumour cells was found at the border of necrotic areas. Our study demonstrates that of all tested components of the matrix metalloproteinase system, only expression of activated MMP-2 correlates with increased malignancy in our melanoma xenograft model, corroborating an important role of MMP-2 in human melanoma invasion and metastasis. © 1999 Cancer Research Campaig

The Role of EZH2 in the Regulation of the Activity of Matrix Metalloproteinases in Prostate Cancer Cells

Degradation of the extracellular matrix (ECM), a critical step in cancer metastasis, is determined by the balance between MMPs (matrix metalloproteinases) and their inhibitors TIMPs (tissue inhibitors of metalloproteinases). In cancer cells, this balance is shifted towards MMPs, promoting ECM degradation. Here, we show that EZH2 plays an active role in this process by repressing the expression of TIMP2 and TIMP3 in prostate cancer cells. The TIMP genes are derepressed by knockdown of EZH2 expression in human prostate cancer cells but repressed by overexpression of EZH2 in benign human prostate epithelial cells. EZH2 catalyzes H3K27 trimethylation and subsequent DNA methylation of the TIMP gene promoters. Overexpression of EZH2 confers an invasive phenotype on benign prostate epithelial cells; however, this phenotype is suppressed by cooverexpression of TIMP3. EZH2 knockdown markedly reduces the proteolytic activity of MMP-9, thereby decreasing the invasive activity of prostate cancer cells. These results suggest that the transcriptional repression of the TIMP genes by EZH2 may be a major mechanism to shift the MMPs/TIMPs balance in favor of MMP activity and thus to promote ECM degradation and subsequent invasion of prostate cancer cells

Therapeutic Hemoglobin Levels after Gene Transfer in β-Thalassemia Mice and in Hematopoietic Cells of β-Thalassemia and Sickle Cells Disease Patients

Preclinical and clinical studies demonstrate the feasibility of treating β-thalassemia and Sickle Cell Disease (SCD) by lentiviral-mediated transfer of the human β-globin gene. However, previous studies have not addressed whether the ability of lentiviral vectors to increase hemoglobin synthesis might vary in different patients