WorldWideScience

Sample records for two-component flavin-dependent aromatic

  1. Flavin-Dependent Enzymes in Cancer Prevention

    Directory of Open Access Journals (Sweden)

    Danuta Wojcieszyńska

    2012-12-01

    Full Text Available Statistical studies have demonstrated that various agents may reduce the risk of cancer’s development. One of them is activity of flavin-dependent enzymes such as flavin-containing monooxygenase (FMOGS-OX1, FAD-dependent 5,10-methylenetetrahydrofolate reductase and flavin-dependent monoamine oxidase. In the last decade, many papers concerning their structure, reaction mechanism and role in the cancer prevention were published. In our work, we provide a more in-depth analysis of flavin-dependent enzymes and their contribution to the cancer prevention. We present the actual knowledge about the glucosinolate synthesized by flavin-containing monooxygenase (FMOGS-OX1 and its role in cancer prevention, discuss the influence of mutations in FAD-dependent 5,10-methylenetetrahydrofolate reductase on the cancer risk, and describe FAD as an important cofactor for the demethylation of histons. We also present our views on the role of riboflavin supplements in the prevention against cancer.

  2. Structure and biocatalytic scope of thermophilic flavin-dependent halogenase and flavin reductase enzymes.

    Science.gov (United States)

    Menon, Binuraj R K; Latham, Jonathan; Dunstan, Mark S; Brandenburger, Eileen; Klemstein, Ulrike; Leys, David; Karthikeyan, Chinnan; Greaney, Michael F; Shepherd, Sarah A; Micklefield, Jason

    2016-10-04

    Flavin-dependent halogenase (Fl-Hal) enzymes have been shown to halogenate a range of synthetic as well as natural aromatic compounds. The exquisite regioselectively of Fl-Hal enzymes can provide halogenated building blocks which are inaccessible using standard halogenation chemistries. Consequently, Fl-Hal are potentially useful biocatalysts for the chemoenzymatic synthesis of pharmaceuticals and other valuable products, which are derived from haloaromatic precursors. However, the application of Fl-Hal enzymes, in vitro, has been hampered by their poor catalytic activity and lack of stability. To overcome these issues, we identified a thermophilic tryptophan halogenase (Th-Hal), which has significantly improved catalytic activity and stability, compared with other Fl-Hal characterised to date. When used in combination with a thermostable flavin reductase, Th-Hal can efficiently halogenate a number of aromatic substrates. X-ray crystal structures of Th-Hal, and the reductase partner (Th-Fre), provide insights into the factors that contribute to enzyme stability, which could guide the discovery and engineering of more robust and productive halogenase biocatalysts.

  3. A Xylenol Orange-Based Screening Assay for the Substrate Specificity of Flavin-Dependent para-Phenol Oxidases

    Directory of Open Access Journals (Sweden)

    Tom A. Ewing

    2018-01-01

    Full Text Available Vanillyl alcohol oxidase (VAO and eugenol oxidase (EUGO are flavin-dependent enzymes that catalyse the oxidation of para-substituted phenols. This makes them potentially interesting biocatalysts for the conversion of lignin-derived aromatic monomers to value-added compounds. To facilitate their biocatalytic exploitation, it is important to develop methods by which variants of the enzymes can be rapidly screened for increased activity towards substrates of interest. Here, we present the development of a screening assay for the substrate specificity of para-phenol oxidases based on the detection of hydrogen peroxide using the ferric-xylenol orange complex method. The assay was used to screen the activity of VAO and EUGO towards a set of twenty-four potential substrates. This led to the identification of 4-cyclopentylphenol as a new substrate of VAO and EUGO and 4-cyclohexylphenol as a new substrate of VAO. Screening of a small library of VAO and EUGO active-site variants for alterations in their substrate specificity led to the identification of a VAO variant (T457Q with increased activity towards vanillyl alcohol (4-hydroxy-3-methoxybenzyl alcohol and a EUGO variant (V436I with increased activity towards chavicol (4-allylphenol and 4-cyclopentylphenol. This assay provides a quick and efficient method to screen the substrate specificity of para-phenol oxidases, facilitating the enzyme engineering of known para-phenol oxidases and the evaluation of the substrate specificity of novel para-phenol oxidases.

  4. A Xylenol Orange-Based Screening Assay for the Substrate Specificity of Flavin-Dependent para-Phenol Oxidases.

    Science.gov (United States)

    Ewing, Tom A; van Noord, Aster; Paul, Caroline E; van Berkel, Willem J H

    2018-01-14

    Vanillyl alcohol oxidase (VAO) and eugenol oxidase (EUGO) are flavin-dependent enzymes that catalyse the oxidation of para -substituted phenols. This makes them potentially interesting biocatalysts for the conversion of lignin-derived aromatic monomers to value-added compounds. To facilitate their biocatalytic exploitation, it is important to develop methods by which variants of the enzymes can be rapidly screened for increased activity towards substrates of interest. Here, we present the development of a screening assay for the substrate specificity of para -phenol oxidases based on the detection of hydrogen peroxide using the ferric-xylenol orange complex method. The assay was used to screen the activity of VAO and EUGO towards a set of twenty-four potential substrates. This led to the identification of 4-cyclopentylphenol as a new substrate of VAO and EUGO and 4-cyclohexylphenol as a new substrate of VAO. Screening of a small library of VAO and EUGO active-site variants for alterations in their substrate specificity led to the identification of a VAO variant (T457Q) with increased activity towards vanillyl alcohol (4-hydroxy-3-methoxybenzyl alcohol) and a EUGO variant (V436I) with increased activity towards chavicol (4-allylphenol) and 4-cyclopentylphenol. This assay provides a quick and efficient method to screen the substrate specificity of para -phenol oxidases, facilitating the enzyme engineering of known para- phenol oxidases and the evaluation of the substrate specificity of novel para -phenol oxidases.

  5. A fluorescence polarization binding assay to identify inhibitors of flavin-dependent monooxygenases.

    Science.gov (United States)

    Qi, Jun; Kizjakina, Karina; Robinson, Reeder; Tolani, Karishma; Sobrado, Pablo

    2012-06-01

    N-Hydroxylating monooxygenases (NMOs) are essential for pathogenesis in fungi and bacteria. NMOs catalyze the hydroxylation of sine and ornithine in the biosynthesis of hydroxamate-containing siderophores. Inhibition of kynurenine monooxygenase (KMO), which catalyzes the conversion of kynurenine to 3-hydroxykynurenine, alleviates neurodegenerative disorders such as Huntington's and Alzheimer's diseases and brain infections caused by the parasite Trypanosoma brucei. These enzymes are examples of flavin-dependent monooxygenases, which are validated drug targets. Here, we describe the development and optimization of a fluorescence polarization assay to identify potential inhibitors of flavin-dependent monooxygenases. Fluorescently labeled ADP molecules were synthesized and tested. An ADP-TAMRA chromophore bound to KMO with a K(d) value of 0.60 ± 0.05 μM and to the NMOs from Aspergillus fumigatus and Mycobacterium smegmatis with K(d) values of 2.1 ± 0.2 and 4.0 ± 0.2 μM, respectively. The assay was tested in competitive binding experiments with substrates and products of KMO and an NMO. Furthermore, we show that this assay can be used to identify inhibitors of NMOs. A Z' factor of 0.77 was calculated, and we show that the assay exhibits good tolerance to temperature, incubation time, and dimethyl sulfoxide concentration. Copyright © 2012 Elsevier Inc. All rights reserved.

  6. Evolutionary recruitment of a flavin-dependent monooxygenase for stabilization of sequestered pyrrolizidine alkaloids in arctiids.

    Science.gov (United States)

    Langel, Dorothee; Ober, Dietrich

    2011-09-01

    Pyrrolizidine alkaloids are secondary metabolites that are produced by certain plants as a chemical defense against herbivores. They represent a promising system to study the evolution of pathways in plant secondary metabolism. Recently, a specific gene of this pathway has been shown to have originated by duplication of a gene involved in primary metabolism followed by diversification and optimization for its specific function in the defense machinery of these plants. Furthermore, pyrrolizidine alkaloids are one of the best-studied examples of a plant defense system that has been recruited by several insect lineages for their own chemical defense. In each case, this recruitment requires sophisticated mechanisms of adaptations, e.g., efficient excretion, transport, suppression of toxification, or detoxification. In this review, we briefly summarize detoxification mechanism known for pyrrolizidine alkaloids and focus on pyrrolizidine alkaloid N-oxidation as one of the mechanisms allowing insects to accumulate the sequestered toxins in an inactivated protoxic form. Recent research into the evolution of pyrrolizidine alkaloid N-oxygenases of adapted arctiid moths (Lepidoptera) has shown that this enzyme originated by the duplication of a gene encoding a flavin-dependent monooxygenase of unknown function early in the arctiid lineage. The available data suggest several similarities in the molecular evolution of this adaptation strategy of insects to the mechanisms described previously for the evolution of the respective pathway in plants. Copyright © 2011 Elsevier Ltd. All rights reserved.

  7. Dual Two-Component Regulatory Systems Are Involved in Aromatic Compound Degradation in a Polychlorinated-Biphenyl Degrader, Rhodococcus jostii RHA1 ▿ †

    OpenAIRE

    Takeda, Hisashi; Shimodaira, Jun; Yukawa, Kiyoshi; Hara, Naho; Kasai, Daisuke; Miyauchi, Keisuke; Masai, Eiji; Fukuda, Masao

    2010-01-01

    A Gram-positive polychlorinated-biphenyl (PCB) degrader, Rhodococcus jostii RHA1, degrades PCBs by cometabolism with biphenyl. A two-component BphS1T1 system encoded by bphS1 and bphT1 (formerly bphS and bphT) is responsible for the transcription induction of the five gene clusters, bphAaAbAcAdC1B1, etbAa1Ab1CbphD1, etbAa2Ab2AcD2, etbAdbphB2, and etbD1, which constitute multiple enzyme systems for biphenyl/PCB degradation. The bphS2 and bphT2 genes, which encode BphS2 and BphT2, virtually ide...

  8. A flavin-dependent halogenase catalyzes the chlorination step in the biosynthesis of Dictyostelium differentiation-inducing factor 1.

    Science.gov (United States)

    Neumann, Christopher S; Walsh, Christopher T; Kay, Robert R

    2010-03-30

    Differentiation-inducing factor 1 (DIF-1) is a polyketide-derived morphogen which drives stalk cell formation in the developmental cycle of Dictyostelium discoideum. Previous experiments demonstrated that the biosynthetic pathway proceeds via dichlorination of the precursor molecule THPH, but the enzyme responsible for this transformation has eluded characterization. Our recent studies on prokaryotic flavin-dependent halogenases and insights from the sequenced Dd genome led us to a candidate gene for this transformation. In this work, we present in vivo and in vitro evidence that chlA from Dd encodes a flavin-dependent halogenase capable of catalyzing both chlorinations in the biosynthesis of DIF-1. The results provide in vitro characterization of a eukaryotic oxygen-dependent halogenase and demonstrate a broad reach in biology for this molecular tailoring strategy, notably its involvement in the differentiation program of a social amoeba.

  9. A flavin-dependent halogenase catalyzes the chlorination step in the biosynthesis of Dictyostelium differentiation-inducing factor 1

    OpenAIRE

    Neumann, Christopher S.; Walsh, Christopher T.; Kay, Robert R.

    2010-01-01

    Differentiation-inducing factor 1 (DIF-1) is a polyketide-derived morphogen which drives stalk cell formation in the developmental cycle of Dictyostelium discoideum. Previous experiments demonstrated that the biosynthetic pathway proceeds via dichlorination of the precursor molecule THPH, but the enzyme responsible for this transformation has eluded characterization. Our recent studies on prokaryotic flavin-dependent halogenases and insights from the sequenced Dd genome led us to a candidate ...

  10. Flavin-dependent monooxygenases as a detoxification mechanism in insects: new insights from the arctiids (lepidoptera.

    Directory of Open Access Journals (Sweden)

    Sven Sehlmeyer

    2010-05-01

    Full Text Available Insects experience a wide array of chemical pressures from plant allelochemicals and pesticides and have developed several effective counterstrategies to cope with such toxins. Among these, cytochrome P450 monooxygenases are crucial in plant-insect interactions. Flavin-dependent monooxygenases (FMOs seem not to play a central role in xenobiotic detoxification in insects, in contrast to mammals. However, the previously identified senecionine N-oxygenase of the arctiid moth Tyria jacobaeae (Lepidoptera indicates that FMOs have been recruited during the adaptation of this insect to plants that accumulate toxic pyrrolizidine alkaloids. Identification of related FMO-like sequences of various arctiids and other Lepidoptera and their combination with expressed sequence tag (EST data and sequences emerging from the Bombyx mori genome project show that FMOs in Lepidoptera form a gene family with three members (FMO1 to FMO3. Phylogenetic analyses suggest that FMO3 is only distantly related to lepidopteran FMO1 and FMO2 that originated from a more recent gene duplication event. Within the FMO1 gene cluster, an additional gene duplication early in the arctiid lineage provided the basis for the evolution of the highly specific biochemical, physiological, and behavioral adaptations of these butterflies to pyrrolizidine-alkaloid-producing plants. The genes encoding pyrrolizidine-alkaloid-N-oxygenizing enzymes (PNOs are transcribed in the fat body and the head of the larvae. An N-terminal signal peptide mediates the transport of the soluble proteins into the hemolymph where PNOs efficiently convert pro-toxic pyrrolizidine alkaloids into their non-toxic N-oxide derivatives. Heterologous expression of a PNO of the generalist arctiid Grammia geneura produced an N-oxygenizing enzyme that shows noticeably expanded substrate specificity compared with the related enzyme of the specialist Tyria jacobaeae. The data about the evolution of FMOs within lepidopteran insects

  11. Independent recruitment of a flavin-dependent monooxygenase for safe accumulation of sequestered pyrrolizidine alkaloids in grasshoppers and moths.

    Directory of Open Access Journals (Sweden)

    Linzhu Wang

    Full Text Available Several insect lineages have developed diverse strategies to sequester toxic pyrrolizidine alkaloids from food-plants for their own defense. Here, we show that in two highly divergent insect taxa, the hemimetabolous grasshoppers and the holometabolous butterflies, an almost identical strategy evolved independently for safe accumulation of pyrrolizidine alkaloids. This strategy involves a pyrrolizidine alkaloid N-oxygenase that transfers the pyrrolizidine alkaloids to their respective N-oxide, enabling the insects to avoid high concentrations of toxic pyrrolizidine alkaloids in the hemolymph. We have identified a pyrrolizidine alkaloid N-oxygenase, which is a flavin-dependent monooxygenase, of the grasshopper Zonocerus variegatus. After heterologous expression in E. coli, this enzyme shows high specificity for pyrrolizidine alkaloids of various structural types and for the tropane alkaloid atropine as substrates, a property that has been described previously for a pyrrolizidine alkaloid N-oxygenase of the arctiid moth Grammia geneura. Phylogenetic analyses of insect flavin-dependent monooxygenase sequences suggest that independent gene duplication events preceded the establishment of this specific enzyme in the lineages of the grasshoppers and of arctiid moths. Two further flavin-dependent monooxygenase sequences have been identified from Z. variegatus sharing amino acid identities of approximately 78% to the pyrrolizidine alkaloid N-oxygenase. After heterologous expression, both enzymes are also able to catalyze the N-oxygenation of pyrrolizidine alkaloids, albeit with a 400-fold lower specific activity. With respect to the high sequence identity between the three Z. variegatus sequences this ability to N-oxygenize pyrrolizidine alkaloids is interpreted as a relict of a former bifunctional ancestor gene of which one of the gene copies optimized this activity for the specific adaptation to pyrrolizidine alkaloid containing food plants.

  12. Independent recruitment of a flavin-dependent monooxygenase for safe accumulation of sequestered pyrrolizidine alkaloids in grasshoppers and moths.

    Science.gov (United States)

    Wang, Linzhu; Beuerle, Till; Timbilla, James; Ober, Dietrich

    2012-01-01

    Several insect lineages have developed diverse strategies to sequester toxic pyrrolizidine alkaloids from food-plants for their own defense. Here, we show that in two highly divergent insect taxa, the hemimetabolous grasshoppers and the holometabolous butterflies, an almost identical strategy evolved independently for safe accumulation of pyrrolizidine alkaloids. This strategy involves a pyrrolizidine alkaloid N-oxygenase that transfers the pyrrolizidine alkaloids to their respective N-oxide, enabling the insects to avoid high concentrations of toxic pyrrolizidine alkaloids in the hemolymph. We have identified a pyrrolizidine alkaloid N-oxygenase, which is a flavin-dependent monooxygenase, of the grasshopper Zonocerus variegatus. After heterologous expression in E. coli, this enzyme shows high specificity for pyrrolizidine alkaloids of various structural types and for the tropane alkaloid atropine as substrates, a property that has been described previously for a pyrrolizidine alkaloid N-oxygenase of the arctiid moth Grammia geneura. Phylogenetic analyses of insect flavin-dependent monooxygenase sequences suggest that independent gene duplication events preceded the establishment of this specific enzyme in the lineages of the grasshoppers and of arctiid moths. Two further flavin-dependent monooxygenase sequences have been identified from Z. variegatus sharing amino acid identities of approximately 78% to the pyrrolizidine alkaloid N-oxygenase. After heterologous expression, both enzymes are also able to catalyze the N-oxygenation of pyrrolizidine alkaloids, albeit with a 400-fold lower specific activity. With respect to the high sequence identity between the three Z. variegatus sequences this ability to N-oxygenize pyrrolizidine alkaloids is interpreted as a relict of a former bifunctional ancestor gene of which one of the gene copies optimized this activity for the specific adaptation to pyrrolizidine alkaloid containing food plants.

  13. Inhibition of the Flavin-Dependent Monooxygenase Siderophore A (SidA) Blocks Siderophore Biosynthesis and Aspergillus fumigatus Growth.

    Science.gov (United States)

    Martín Del Campo, Julia S; Vogelaar, Nancy; Tolani, Karishma; Kizjakina, Karina; Harich, Kim; Sobrado, Pablo

    2016-11-18

    Aspergillus fumigatus is an opportunistic fungal pathogen and the most common causative agent of fatal invasive mycoses. The flavin-dependent monooxygenase siderophore A (SidA) catalyzes the oxygen and NADPH dependent hydroxylation of l-ornithine (l-Orn) to N 5 -l-hydroxyornithine in the biosynthetic pathway of hydroxamate-containing siderophores in A. fumigatus. Deletion of the gene that codes for SidA has shown that it is essential in establishing infection in mice models. Here, a fluorescence polarization high-throughput assay was used to screen a 2320 compound library for inhibitors of SidA. Celastrol, a natural quinone methide, was identified as a noncompetitive inhibitor of SidA with a MIC value of 2 μM. Docking experiments suggest that celastrol binds across the NADPH and l-Orn pocket. Celastrol prevents A. fumigatus growth in blood agar. The addition of purified ferric-siderophore abolished the inhibitory effect of celastrol. Thus, celastrol inhibits A. fumigatus growth by blocking siderophore biosynthesis through SidA inhibiton.

  14. Secreted fungal sulfhydryl oxidases: sequence analysis and characterisation of a representative flavin-dependent enzyme from Aspergillus oryzae

    OpenAIRE

    Faccio Greta; Kruus Kristiina; Buchert Johanna; Saloheimo Markku

    2010-01-01

    Abstract Background Sulfhydryl oxidases are flavin-dependent enzymes that catalyse the formation of de novo disulfide bonds from free thiol groups, with the reduction of molecular oxygen to hydrogen peroxide. Sulfhydryl oxidases have been investigated in the food industry to remove the burnt flavour of ultraheat-treated milk and are currently studied as potential crosslinking enzymes, aiming at strengthening wheat dough and improving the overall bread quality. Results In the present study, po...

  15. Arg279 is the key regulator of coenzyme selectivity in the flavin-dependent ornithine monooxygenase SidA.

    Science.gov (United States)

    Robinson, Reeder; Franceschini, Stefano; Fedkenheuer, Michael; Rodriguez, Pedro J; Ellerbrock, Jacob; Romero, Elvira; Echandi, Maria Paulina; Martin Del Campo, Julia S; Sobrado, Pablo

    2014-04-01

    Siderophore A (SidA) is a flavin-dependent monooxygenase that catalyzes the NAD(P)H- and oxygen-dependent hydroxylation of ornithine in the biosynthesis of siderophores in Aspergillus fumigatus and is essential for virulence. SidA can utilize both NADPH or NADH for activity; however, the enzyme is selective for NADPH. Structural analysis shows that R279 interacts with the 2'-phosphate of NADPH. To probe the role of electrostatic interactions in coenzyme selectivity, R279 was mutated to both an alanine and a glutamate. The mutant proteins were active but highly uncoupled, oxidizing NADPH and producing hydrogen peroxide instead of hydroxylated ornithine. For wtSidA, the catalytic efficiency was 6-fold higher with NADPH as compared to NADH. For the R279A mutant the catalytic efficiency was the same with both coenyzmes, while for the R279E mutant the catalytic efficiency was 5-fold higher with NADH. The effects are mainly due to an increase in the KD values, as no major changes on the kcat or flavin reduction values were observed. Thus, the absence of a positive charge leads to no coenzyme selectivity while introduction of a negative charge leads to preference for NADH. Flavin fluorescence studies suggest altered interaction between the flavin and NADP⁺ in the mutant enzymes. The effects are caused by different binding modes of the coenzyme upon removal of the positive charge at position 279, as no major conformational changes were observed in the structure for R279A. The results indicate that the positive charge at position 279 is critical for tight binding of NADPH and efficient hydroxylation. Copyright © 2014 Elsevier B.V. All rights reserved.

  16. Secreted fungal sulfhydryl oxidases: sequence analysis and characterisation of a representative flavin-dependent enzyme from Aspergillus oryzae

    Directory of Open Access Journals (Sweden)

    Faccio Greta

    2010-08-01

    Full Text Available Abstract Background Sulfhydryl oxidases are flavin-dependent enzymes that catalyse the formation of de novo disulfide bonds from free thiol groups, with the reduction of molecular oxygen to hydrogen peroxide. Sulfhydryl oxidases have been investigated in the food industry to remove the burnt flavour of ultraheat-treated milk and are currently studied as potential crosslinking enzymes, aiming at strengthening wheat dough and improving the overall bread quality. Results In the present study, potential sulfhydryl oxidases were identified in the publicly available fungal genome sequences and their sequence characteristics were studied. A representative sulfhydryl oxidase from Aspergillus oryzae, AoSOX1, was expressed in the fungus Trichoderma reesei. AoSOX1 was produced in relatively good yields and was purified and biochemically characterised. The enzyme catalysed the oxidation of thiol-containing compounds like glutathione, D/L-cysteine, beta-mercaptoethanol and DTT. The enzyme had a melting temperature of 57°C, a pH optimum of 7.5 and its enzymatic activity was completely inhibited in the presence of 1 mM ZnSO4. Conclusions Eighteen potentially secreted sulfhydryl oxidases were detected in the publicly available fungal genomes analysed and a novel proline-tryptophan dipeptide in the characteristic motif CXXC, where X is any amino acid, was found. A representative protein, AoSOX1 from A. oryzae, was produced in T. reesei in an active form and had the characteristics of sulfhydryl oxidases. Further testing of the activity on thiol groups within larger peptides and on protein level will be needed to assess the application potential of this enzyme.

  17. Chloramphenicol Biosynthesis: The Structure of CmlS, a Flavin-Dependent Halogenase Shwing a Covalent Flavin-Aspartate Bond

    International Nuclear Information System (INIS)

    Podzelinska, K.; Latimer, R.; Bhattacharya, A.; Vining, L.; Zechel, D.; Jia, Z.

    2010-01-01

    Chloramphenicol is a halogenated natural product bearing an unusual dichloroacetyl moiety that is critical for its antibiotic activity. The operon for chloramphenicol biosynthesis in Streptomyces venezuelae encodes the chloramphenicol halogenase CmlS, which belongs to the large and diverse family of flavin-dependent halogenases (FDH's). CmlS was previously shown to be essential for the formation of the dichloroacetyl group. Here we report the X-ray crystal structure of CmlS determined at 2.2 (angstrom) resolution, revealing a flavin monooxygenase domain shared by all FDHs, but also a unique 'winged-helix' C-terminal domain that creates a T-shaped tunnel leading to the halogenation active site. Intriguingly, the C-terminal tail of this domain blocks access to the halogenation active site, suggesting a structurally dynamic role during catalysis. The halogenation active site is notably nonpolar and shares nearly identical residues with Chondromyces crocatus tyrosyl halogenase (CndH), including the conserved Lys (K71) that forms the reactive chloramine intermediate. The exception is Y350, which could be used to stabilize enolate formation during substrate halogenation. The strictly conserved residue E44, located near the isoalloxazine ring of the bound flavin adenine dinucleotide (FAD) cofactor, is optimally positioned to function as a remote general acid, through a water-mediated proton relay, which could accelerate the reaction of the chloramine intermediate during substrate halogenation, or the oxidation of chloride by the FAD(C4α)-OOH intermediate. Strikingly, the 8α carbon of the FAD cofactor is observed to be covalently attached to D277 of CmlS, a residue that is highly conserved in the FDH family. In addition to representing a new type of flavin modification, this has intriguing implications for the mechanism of FDHs. Based on the crystal structure and in analogy to known halogenases, we propose a reaction mechanism for CmlS.

  18. Secreted fungal sulfhydryl oxidases: sequence analysis and characterisation of a representative flavin-dependent enzyme from Aspergillus oryzae.

    Science.gov (United States)

    Faccio, Greta; Kruus, Kristiina; Buchert, Johanna; Saloheimo, Markku

    2010-08-20

    Sulfhydryl oxidases are flavin-dependent enzymes that catalyse the formation of de novo disulfide bonds from free thiol groups, with the reduction of molecular oxygen to hydrogen peroxide. Sulfhydryl oxidases have been investigated in the food industry to remove the burnt flavour of ultraheat-treated milk and are currently studied as potential crosslinking enzymes, aiming at strengthening wheat dough and improving the overall bread quality. In the present study, potential sulfhydryl oxidases were identified in the publicly available fungal genome sequences and their sequence characteristics were studied. A representative sulfhydryl oxidase from Aspergillus oryzae, AoSOX1, was expressed in the fungus Trichoderma reesei. AoSOX1 was produced in relatively good yields and was purified and biochemically characterised. The enzyme catalysed the oxidation of thiol-containing compounds like glutathione, D/L-cysteine, beta-mercaptoethanol and DTT. The enzyme had a melting temperature of 57°C, a pH optimum of 7.5 and its enzymatic activity was completely inhibited in the presence of 1 mM ZnSO4. Eighteen potentially secreted sulfhydryl oxidases were detected in the publicly available fungal genomes analysed and a novel proline-tryptophan dipeptide in the characteristic motif CXXC, where X is any amino acid, was found. A representative protein, AoSOX1 from A. oryzae, was produced in T. reesei in an active form and had the characteristics of sulfhydryl oxidases. Further testing of the activity on thiol groups within larger peptides and on protein level will be needed to assess the application potential of this enzyme.

  19. Unique Features and Anti-microbial Targeting of Folate- and Flavin-Dependent Methyltransferases Required for Accurate Maintenance of Genetic Information

    Directory of Open Access Journals (Sweden)

    Hannu Myllykallio

    2018-05-01

    Full Text Available Comparative genome analyses have led to the discovery and characterization of novel flavin- and folate-dependent methyltransferases that mainly function in DNA precursor synthesis and post-transcriptional RNA modification by forming (ribo thymidylate and its derivatives. Here we discuss the recent literature on the novel mechanistic features of these enzymes sometimes referred to as “uracil methyltransferases,” albeit we prefer to refer to them as (ribo thymidylate synthases. These enzyme families attest to the convergent evolution of nucleic acid methylation. Special focus is given to describing the unique characteristics of these flavin- and folate-dependent enzymes that have emerged as new models for studying the non-canonical roles of reduced flavin co-factors (FADH2 in relaying carbon atoms between enzyme substrates. This ancient enzymatic methylation mechanism with a very wide phylogenetic distribution may be more commonly used for biological methylation reactions than previously anticipated. This notion is exemplified by the recent discovery of additional substrates for these enzymes. Moreover, similar reaction mechanisms can be reversed by demethylases, which remove methyl groups e.g., from human histones. Future work is now required to address whether the use of different methyl donors facilitates the regulation of distinct methylation reactions in the cell. It will also be of great interest to address whether the low activity flavin-dependent thymidylate synthases ThyX represent ancestral enzymes that were eventually replaced by the more active thymidylate synthases of the ThyA family to facilitate the maintenance of larger genomes in fast-growing microbes. Moreover, we discuss the recent efforts from several laboratories to identify selective anti-microbial compounds that target flavin-dependent thymidylate synthase ThyX. Altogether we underline how the discovery of the alternative flavoproteins required for methylation of DNA and

  20. Two component plasma vortex approach to fusion

    International Nuclear Information System (INIS)

    Ikuta, Kazunari.

    1978-09-01

    Two component operation of the field reversed theta pinch plasma by injection of the energetic ion beam with energy of the order of 1 MeV is considered. A possible trapping scheme of the ion beam in the plasma is discussed in detail. (author)

  1. Two Component Signal Transduction in Desulfovibrio Species

    Energy Technology Data Exchange (ETDEWEB)

    Luning, Eric; Rajeev, Lara; Ray, Jayashree; Mukhopadhyay, Aindrila

    2010-05-17

    The environmentally relevant Desulfovibrio species are sulfate-reducing bacteria that are of interest in the bioremediation of heavy metal contaminated water. Among these, the genome of D. vulgaris Hildenborough encodes a large number of two component systems consisting of 72 putative response regulators (RR) and 64 putative histidinekinases (HK), the majority of which are uncharacterized. We classified the D. vulgaris Hildenborough RRs based on their output domains and compared the distribution of RRs in other sequenced Desulfovibrio species. We have successfully purified most RRs and several HKs as His-tagged proteins. We performed phospho-transfer experiments to verify relationships between cognate pairs of HK and RR, and we have also mapped a few non-cognate HK-RR pairs. Presented here are our discoveries from the Desulfovibrio RR categorization and results from the in vitro studies using purified His tagged D. vulgaris HKs and RRs.

  2. Primordial two-component maximally symmetric inflation

    Science.gov (United States)

    Enqvist, K.; Nanopoulos, D. V.; Quirós, M.; Kounnas, C.

    1985-12-01

    We propose a two-component inflation model, based on maximally symmetric supergravity, where the scales of reheating and the inflation potential at the origin are decoupled. This is possible because of the second-order phase transition from SU(5) to SU(3)×SU(2)×U(1) that takes place when φ≅φcinflation at the global minimum, and leads to a reheating temperature TR≅(1015-1016) GeV. This makes it possible to generate baryon asymmetry in the conventional way without any conflict with experimental data on proton lifetime. The mass of the gravitinos is m3/2≅1012 GeV, thus avoiding the gravitino problem. Monopoles are diluted by residual inflation in the broken phase below the cosmological bounds if φcUSA.

  3. Conductivity of two-component systems

    Energy Technology Data Exchange (ETDEWEB)

    Kuijper, A. de; Hofman, J.P.; Waal, J.A. de [Shell Research BV, Rijswijk (Netherlands). Koninklijke/Shell Exploratie en Productie Lab.; Sandor, R.K.J. [Shell International Petroleum Maatschappij, The Hague (Netherlands)

    1996-01-01

    The authors present measurements and computer simulation results on the electrical conductivity of nonconducting grains embedded in a conductive brine host. The shapes of the grains ranged from prolate-ellipsoidal (with an axis ratio of 5:1) through spherical to oblate-ellipsoidal (with an axis ratio of 1:5). The conductivity was studied as a function of porosity and packing, and Archie`s cementation exponent was found to depend on porosity. They used spatially regular and random configurations with aligned and nonaligned packings. The experimental results agree well with the computer simulation data. This data set will enable extensive tests of models for calculating the anisotropic conductivity of two-component systems.

  4. Role of Ser-257 in the sliding mechanism of NADP(H) in the reaction catalyzed by the Aspergillus fumigatus flavin-dependent ornithine N5-monooxygenase SidA.

    Science.gov (United States)

    Shirey, Carolyn; Badieyan, Somayesadat; Sobrado, Pablo

    2013-11-08

    SidA (siderophore A) is a flavin-dependent N-hydroxylating monooxygenase that is essential for virulence in Aspergillus fumigatus. SidA catalyzes the NADPH- and oxygen-dependent formation of N(5)-hydroxyornithine. In this reaction, NADPH reduces the flavin, and the resulting NADP(+) is the last product to be released. The presence of NADP(+) is essential for activity, as it is required for stabilization of the C4a-hydroperoxyflavin, which is the hydroxylating species. As part of our efforts to determine the molecular details of the role of NADP(H) in catalysis, we targeted Ser-257 for site-directed mutagenesis and performed extensive characterization of the S257A enzyme. Using a combination of steady-state and stopped-flow kinetic experiments, substrate analogs, and primary kinetic isotope effects, we show that the interaction between Ser-257 and NADP(H) is essential for stabilization of the C4a-hydroperoxyflavin. Molecular dynamics simulation results suggest that Ser-257 functions as a pivot point, allowing the nicotinamide of NADP(+) to slide into position for stabilization of the C4a-hydroperoxyflavin.

  5. Spin-excited oscillations in two-component fermion condensates

    International Nuclear Information System (INIS)

    Maruyama, Tomoyuki; Bertsch, George F.

    2006-01-01

    We investigate collective spin excitations in two-component fermion condensates with special consideration of unequal populations of the two components. The frequencies of monopole and dipole modes are calculated using Thomas-Fermi theory and the scaling approximation. As the fermion-fermion coupling is varied, the system shows various phases of the spin configuration. We demonstrate that spin oscillations have more sensitivity to the spin phase structures than the density oscillations

  6. Two component micro injection moulding for moulded interconnect devices

    DEFF Research Database (Denmark)

    Islam, Aminul

    2008-01-01

    Moulded interconnect devices (MIDs) contain huge possibilities for many applications in micro electro-mechanical-systems because of their capability of reducing the number of components, process steps and finally in miniaturization of the product. Among the available MID process chains, two...... component injection moulding is one of the most industrially adaptive processes. However, the use of two component injection moulding for MID fabrication, with circuit patterns in the sub-millimeter range, is still a big challenge at the present state of technology. The scope of the current Ph.D. project...... and a reasonable adhesion between them. • Selective metallization of the two component plastic part (coating one polymer with metal and leaving the other one uncoated) To overcome these two main issues in MID fabrication for micro applications, the current Ph.D. project explores the technical difficulties...

  7. Two-component feedback loops and deformed mechanics

    International Nuclear Information System (INIS)

    Tourigny, David S.

    2015-01-01

    It is shown that a general two-component feedback loop can be viewed as a deformed Hamiltonian system. Some of the implications of using ideas from theoretical physics to study biological processes are discussed. - Highlights: • Two-component molecular feedback loops are viewed as q-deformed Hamiltonian systems. • Deformations are reversed using Jackson derivatives to take advantage of working in the Hamiltonian limit. • New results are derived for the particular examples considered. • General deformations are suggested to be associated with a broader class of biological processes

  8. Itinerant Ferromagnetism in a Polarized Two-Component Fermi Gas

    DEFF Research Database (Denmark)

    Massignan, Pietro; Yu, Zhenhua; Bruun, Georg

    2013-01-01

    We analyze when a repulsively interacting two-component Fermi gas becomes thermodynamically unstable against phase separation. We focus on the strongly polarized limit, where the free energy of the homogeneous mixture can be calculated accurately in terms of well-defined quasiparticles, the repul......We analyze when a repulsively interacting two-component Fermi gas becomes thermodynamically unstable against phase separation. We focus on the strongly polarized limit, where the free energy of the homogeneous mixture can be calculated accurately in terms of well-defined quasiparticles...

  9. A two-component NZRI metamaterial based rectangular cloak

    Directory of Open Access Journals (Sweden)

    Sikder Sunbeam Islam

    2015-10-01

    Full Text Available A new two-component, near zero refractive index (NZRI metamaterial is presented for electromagnetic rectangular cloaking operation in the microwave range. In the basic design a pi-shaped, metamaterial was developed and its characteristics were investigated for the two major axes (x and z-axis wave propagation through the material. For the z-axis wave propagation, it shows more than 2 GHz bandwidth and for the x-axis wave propagation; it exhibits more than 1 GHz bandwidth of NZRI property. The metamaterial was then utilized in designing a rectangular cloak where a metal cylinder was cloaked perfectly in the C-band area of microwave regime. The experimental result was provided for the metamaterial and the cloak and these results were compared with the simulated results. This is a novel and promising design for its two-component NZRI characteristics and rectangular cloaking operation in the electromagnetic paradigm.

  10. Brazilian two-component TLD albedo neutron individual monitoring system

    Energy Technology Data Exchange (ETDEWEB)

    Martins, M.M., E-mail: marcelo@ird.gov.b [Instituto de Radioprotecao e Dosimetria (IRD), Av. Salvador Allende, s/n, CEP: 22780-160, Rio de Janeiro, RJ (Brazil); Mauricio, C.L.P., E-mail: claudia@ird.gov.b [Instituto de Radioprotecao e Dosimetria (IRD), Av. Salvador Allende, s/n, CEP: 22780-160, Rio de Janeiro, RJ (Brazil); Fonseca, E.S. da, E-mail: evaldo@ird.gov.b [Instituto de Radioprotecao e Dosimetria (IRD), Av. Salvador Allende, s/n, CEP: 22780-160, Rio de Janeiro, RJ (Brazil); Silva, A.X. da, E-mail: ademir@con.ufrj.b [Coordenacao dos Programas de Pos-Graduacao em Engenharia, COPPE/PEN Caixa Postal 68509, CEP: 21941-972, Rio de Janeiro, RJ (Brazil)

    2010-12-15

    Since 1983, Instituto de Radioprotecao e Dosimetria, Brazil, uses a TLD one-component albedo neutron monitor, which has a single different calibration factor specifically for each installation type. In order to improve its energy response, a two-component albedo monitor was developed, which measure the thermal neutron component besides the albedo one. The two-component monitor has been calibrated in reference neutron fields: thermal, five accelerator-produced monoenergetic beams (70, 144, 565, 1200 and 5000 keV) and five radionuclide sources ({sup 252}Cf, {sup 252}Cf(D{sub 2}O), {sup 241}Am-Be, {sup 241}Am-B and {sup 238}Pu-Be) at several distances. Since January 2008, mainly Brazilian workers who handle neutron sources at different distances and moderation, such as in well logging and calibration facilities are using it routinely.

  11. On the Alexander polynominals of alternating two-component links

    Directory of Open Access Journals (Sweden)

    Mark E. Kidwell

    1979-01-01

    Full Text Available Let L be an alternating two-component link with Alexander polynomial Δ(x,y. Then the polynomials (1−xΔ(x,y and (1−yΔ(x,y are alternating. That is, (1−yΔ(x,y can be written as ∑i,jcijxiyj in such a way that (−1i+jcij≥0.

  12. Two-component gravitational instability in spiral galaxies

    Science.gov (United States)

    Marchuk, A. A.; Sotnikova, N. Y.

    2018-04-01

    We applied a criterion of gravitational instability, valid for two-component and infinitesimally thin discs, to observational data along the major axis for seven spiral galaxies of early types. Unlike most papers, the dispersion equation corresponding to the criterion was solved directly without using any approximation. The velocity dispersion of stars in the radial direction σR was limited by the range of possible values instead of a fixed value. For all galaxies, the outer regions of the disc were analysed up to R ≤ 130 arcsec. The maximal and sub-maximal disc models were used to translate surface brightness into surface density. The largest destabilizing disturbance stars can exert on a gaseous disc was estimated. It was shown that the two-component criterion differs a little from the one-fluid criterion for galaxies with a large surface gas density, but it allows to explain large-scale star formation in those regions where the gaseous disc is stable. In the galaxy NGC 1167 star formation is entirely driven by the self-gravity of the stars. A comparison is made with the conventional approximations which also include the thickness effect and with models for different sound speed cg. It is shown that values of the effective Toomre parameter correspond to the instability criterion of a two-component disc Qeff < 1.5-2.5. This result is consistent with previous theoretical and observational studies.

  13. Aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Roder, M.

    1985-01-01

    Papers dealing with radiolysis of aromatic hydrocarbons of different composition (from benzene to terphenyls and hydrocarbons with condensed rings) as well as their mixtures (with alkanes, alkenes, other aromatic hydrocarbons) are reviewed. High radiation stability of aromatic hydrocarbons in condensed phases associated with peculiarities of molecular structure of compounds is underlined. Mechanisms of radiolytic processes, vaues of product yields are considered

  14. Two-component scattering model and the electron density spectrum

    Science.gov (United States)

    Zhou, A. Z.; Tan, J. Y.; Esamdin, A.; Wu, X. J.

    2010-02-01

    In this paper, we discuss a rigorous treatment of the refractive scintillation caused by a two-component interstellar scattering medium and a Kolmogorov form of density spectrum. It is assumed that the interstellar scattering medium is composed of a thin-screen interstellar medium (ISM) and an extended interstellar medium. We consider the case that the scattering of the thin screen concentrates in a thin layer represented by a δ function distribution and that the scattering density of the extended irregular medium satisfies the Gaussian distribution. We investigate and develop equations for the flux density structure function corresponding to this two-component ISM geometry in the scattering density distribution and compare our result with the observations. We conclude that the refractive scintillation caused by this two-component ISM scattering gives a more satisfactory explanation for the observed flux density variation than does the single extended medium model. The level of refractive scintillation is strongly sensitive to the distribution of scattering material along the line of sight (LOS). The theoretical modulation indices are comparatively less sensitive to the scattering strength of the thin-screen medium, but they critically depend on the distance from the observer to the thin screen. The logarithmic slope of the structure function is sensitive to the scattering strength of the thin-screen medium, but is relatively insensitive to the thin-screen location. Therefore, the proposed model can be applied to interpret the structure functions of flux density observed in pulsar PSR B2111 + 46 and PSR B0136 + 57. The result suggests that the medium consists of a discontinuous distribution of plasma turbulence embedded in the interstellar medium. Thus our work provides some insight into the distribution of the scattering along the LOS to the pulsar PSR B2111 + 46 and PSR B0136 + 57.

  15. A two-component copula with links to insurance

    Directory of Open Access Journals (Sweden)

    Ismail S.

    2017-12-01

    Full Text Available This paper presents a new copula to model dependencies between insurance entities, by considering how insurance entities are affected by both macro and micro factors. The model used to build the copula assumes that the insurance losses of two companies or lines of business are related through a random common loss factor which is then multiplied by an individual random company factor to get the total loss amounts. The new two-component copula is not Archimedean and it extends the toolkit of copulas for the insurance industry.

  16. Vortex formation in a rotating two-component Fermi gas

    Energy Technology Data Exchange (ETDEWEB)

    Warringa, Harmen J.; Sedrakian, Armen [Institut fuer Theoretische Physik, Goethe-Universitaet Frankfurt am Main, Max-von-Laue-Strasse 1, D-60438 Frankfurt am Main (Germany)

    2011-08-15

    A two-component Fermi gas with attractive s-wave interactions forms a superfluid at low temperatures. When this gas is confined in a rotating trap, fermions can unpair at the edges of the gas and vortices can arise beyond certain critical rotation frequencies. We compute these critical rotation frequencies and construct the phase diagram in the plane of scattering length and rotation frequency for different total numbers of particles. We work at zero temperature and consider a cylindrically symmetric harmonic trapping potential. The calculations are performed in the Hartree-Fock-Bogoliubov approximation which implies that our results are quantitatively reliable for weak interactions.

  17. Two component micro injection molding for MID fabrication

    DEFF Research Database (Denmark)

    Islam, Mohammad Aminul; Hansen, Hans Nørgaard; Tang, Peter Torben

    2009-01-01

    Molded Interconnect Devices (MIDs) are plastic substrates with electrical infrastructure. The fabrication of MIDs is usually based on injection molding and different process chains may be identified from this starting point. The use of MIDs has been driven primarily by the automotive sector......, but recently the medical sector seems more and more interested. In particular the possibility of miniaturization of 3D components with electrical infrastructure is attractive. The paper describes possible manufacturing routes and challenges of miniaturized MIDs based on two component micro injection molding...

  18. Efficient implementation of one- and two-component analytical energy gradients in exact two-component theory

    Science.gov (United States)

    Franzke, Yannick J.; Middendorf, Nils; Weigend, Florian

    2018-03-01

    We present an efficient algorithm for one- and two-component analytical energy gradients with respect to nuclear displacements in the exact two-component decoupling approach to the one-electron Dirac equation (X2C). Our approach is a generalization of the spin-free ansatz by Cheng and Gauss [J. Chem. Phys. 135, 084114 (2011)], where the perturbed one-electron Hamiltonian is calculated by solving a first-order response equation. Computational costs are drastically reduced by applying the diagonal local approximation to the unitary decoupling transformation (DLU) [D. Peng and M. Reiher, J. Chem. Phys. 136, 244108 (2012)] to the X2C Hamiltonian. The introduced error is found to be almost negligible as the mean absolute error of the optimized structures amounts to only 0.01 pm. Our implementation in TURBOMOLE is also available within the finite nucleus model based on a Gaussian charge distribution. For a X2C/DLU gradient calculation, computational effort scales cubically with the molecular size, while storage increases quadratically. The efficiency is demonstrated in calculations of large silver clusters and organometallic iridium complexes.

  19. Zero-range approximation for two-component boson systems

    International Nuclear Information System (INIS)

    Sogo, T.; Fedorov, D.V.; Jensen, A.S.

    2005-01-01

    The hyperspherical adiabatic expansion method is combined with the zero-range approximation to derive angular Faddeev-like equations for two-component boson systems. The angular eigenvalues are solutions to a transcendental equation obtained as a vanishing determinant of a 3 x 3 matrix. The eigenfunctions are linear combinations of Jacobi functions of argument proportional to the distance between pairs of particles. We investigate numerically the influence of two-body correlations on the eigenvalue spectrum, the eigenfunctions and the effective hyperradial potential. Correlations decrease or increase the distance between pairs for effectively attractive or repulsive interactions, respectively. New structures appear for non-identical components. Fingerprints can be found in the nodal structure of the density distributions of the condensates. (author)

  20. How insects overcome two-component plant chemical defence

    DEFF Research Database (Denmark)

    Pentzold, Stefan; Zagrobelny, Mika; Rook, Frederik

    2014-01-01

    Insect herbivory is often restricted by glucosylated plant chemical defence compounds that are activated by plant β-glucosidases to release toxic aglucones upon plant tissue damage. Such two-component plant defences are widespread in the plant kingdom and examples of these classes of compounds...... are alkaloid, benzoxazinoid, cyanogenic and iridoid glucosides as well as glucosinolates and salicinoids. Conversely, many insects have evolved a diversity of counteradaptations to overcome this type of constitutive chemical defence. Here we discuss that such counter-adaptations occur at different time points......, before and during feeding as well as during digestion, and at several levels such as the insects’ feeding behaviour, physiology and metabolism. Insect adaptations frequently circumvent or counteract the activity of the plant β-glucosidases, bioactivating enzymes that are a key element in the plant’s two...

  1. Bond strength of two component injection moulded MID

    DEFF Research Database (Denmark)

    Islam, Mohammad Aminul; Hansen, Hans Nørgaard; Tang, Peter Torben

    2006-01-01

    Most products of the future will require industrially adapted, cost effective production processes and on this issue two-component (2K) injection moulding is a potential candidate for MID manufacturing. MID based on 2k injection moulded plastic part with selectively metallised circuit tracks allows...... the two different plastic materials in the MID structure require good bonding between them. This paper finds suitable combinations of materials for MIDs from both bond strength and metallisation view-point. Plastic parts were made by two-shot injection moulding and the effects of some important process...... the integration of electrical and mechanical functionalities in a real 3D structure. If 2k injection moulding is applied with two polymers, of which one is plateable and the other is not, it will be possible to make 3D electrical structures directly on the component. To be applicable in the real engineering field...

  2. Two Component Injection Moulding for Moulded Interconnect Devices

    DEFF Research Database (Denmark)

    Islam, Aminul

    component (2k) injection moulding is one of the most industrially adaptive processes. However, the use of two component injection moulding for MID fabrication, with circuit patterns in sub-millimeter range, is still a big challenge. This book searches for the technical difficulties associated...... with the process and makes attempts to overcome those challenges. In search of suitable polymer materials for MID applications, potential materials are characterized in terms of polymer-polymer bond strength, polymer-polymer interface quality and selective metallization. The experimental results find the factors...... which can effectively control the quality of 2k moulded parts and metallized MIDs. This book presents documented knowledge about MID process chains, 2k moulding and selective metallization which can be valuable source of information for both academic and industrial users....

  3. Chemical evolution of two-component galaxies. II

    International Nuclear Information System (INIS)

    Caimmi, R.

    1978-01-01

    In order to confirm and refine the results obtained in a previous paper the chemical evolution of two-component (spheroid + disk) galaxies is derived rejecting the instantaneous recycling approximation, by means of numerical computations, accounting for (i) the collapse phase of the gas, assumed to be uniform in density and composition, and (ii) a birth-rate stellar function. Computations are performed relatively to the solar neighbourhood and to model galaxies which closely resemble the real morphological sequence: in both cases, numerical results are compared with analytical ones. The numerical models of this paper constitute a first-order approximation, while higher order approximations could be made by rejecting the hypothesis of uniform density and composition, and making use of detailed dynamical models. (Auth.)

  4. Phosphatase activity tunes two-component system sensor detection threshold.

    Science.gov (United States)

    Landry, Brian P; Palanki, Rohan; Dyulgyarov, Nikola; Hartsough, Lucas A; Tabor, Jeffrey J

    2018-04-12

    Two-component systems (TCSs) are the largest family of multi-step signal transduction pathways in biology, and a major source of sensors for biotechnology. However, the input concentrations to which biosensors respond are often mismatched with application requirements. Here, we utilize a mathematical model to show that TCS detection thresholds increase with the phosphatase activity of the sensor histidine kinase. We experimentally validate this result in engineered Bacillus subtilis nitrate and E. coli aspartate TCS sensors by tuning their detection threshold up to two orders of magnitude. We go on to apply our TCS tuning method to recently described tetrathionate and thiosulfate sensors by mutating a widely conserved residue previously shown to impact phosphatase activity. Finally, we apply TCS tuning to engineer B. subtilis to sense and report a wide range of fertilizer concentrations in soil. This work will enable the engineering of tailor-made biosensors for diverse synthetic biology applications.

  5. Two-component multistep direct reactions: A microscopic approach

    International Nuclear Information System (INIS)

    Koning, A.J.; Chadwick, M.B.

    1998-03-01

    The authors present two principal advances in multistep direct theory: (1) A two-component formulation of multistep direct reactions, where neutron and proton excitations are explicitly accounted for in the evolution of the reaction, for all orders of scattering. While this may at first seem to be a formidable task, especially for multistep processes where the many possible reaction pathways becomes large in a two-component formalism, the authors show that this is not so -- a rather simple generalization of the FKK convolution expression 1 automatically generates these pathways. Such considerations are particularly relevant when simultaneously analyzing both neutron and proton emission spectra, which is always important since these processes represent competing decay channels. (2) A new, and fully microscopic, method for calculating MSD cross sections which does not make use of particle-hole state densities but instead directly calculates cross sections for all possible particle-hole excitations (again including an exact book-keeping of the neutron/proton type of the particle and hole at all stages of the reaction) determined from a simple non-interacting shell model. This is in contrast to all previous numerical approaches which sample only a small number of such states to estimate the DWBA strength, and utilize simple analytical formulae for the partial state density, based on the equidistant spacing model. The new approach has been applied, along with theories for multistep compound, compound, and collective reactions, to analyze experimental emission spectra for a range of targets and energies. The authors show that the theory correctly accounts for double-differential nucleon spectra

  6. Global existence and blow-up phenomena for two-component Degasperis-Procesi system and two-component b-family system

    OpenAIRE

    Liu, Jingjing; Yin, Zhaoyang

    2014-01-01

    This paper is concerned with global existence and blow-up phenomena for two-component Degasperis-Procesi system and two-component b-family system. The strategy relies on our observation on new conservative quantities of these systems. Several new global existence results and a new blowup result of strong solutions to the two-component Degasperis- Procesi system and the two-component b-family system are presented by using these new conservative quantities.

  7. A minimal model for two-component dark matter

    International Nuclear Information System (INIS)

    Esch, Sonja; Klasen, Michael; Yaguna, Carlos E.

    2014-01-01

    We propose and study a new minimal model for two-component dark matter. The model contains only three additional fields, one fermion and two scalars, all singlets under the Standard Model gauge group. Two of these fields, one fermion and one scalar, are odd under a Z_2 symmetry that renders them simultaneously stable. Thus, both particles contribute to the observed dark matter density. This model resembles the union of the singlet scalar and the singlet fermionic models but it contains some new features of its own. We analyze in some detail its dark matter phenomenology. Regarding the relic density, the main novelty is the possible annihilation of one dark matter particle into the other, which can affect the predicted relic density in a significant way. Regarding dark matter detection, we identify a new contribution that can lead either to an enhancement or to a suppression of the spin-independent cross section for the scalar dark matter particle. Finally, we define a set of five benchmarks models compatible with all present bounds and examine their direct detection prospects at planned experiments. A generic feature of this model is that both particles give rise to observable signals in 1-ton direct detection experiments. In fact, such experiments will be able to probe even a subdominant dark matter component at the percent level.

  8. Exploring a minimal two-component p53 model

    International Nuclear Information System (INIS)

    Sun, Tingzhe; Zhu, Feng; Shen, Pingping; Yuan, Ruoshi; Xu, Wei

    2010-01-01

    The tumor suppressor p53 coordinates many attributes of cellular processes via interlocked feedback loops. To understand the biological implications of feedback loops in a p53 system, a two-component model which encompasses essential feedback loops was constructed and further explored. Diverse bifurcation properties, such as bistability and oscillation, emerge by manipulating the feedback strength. The p53-mediated MDM2 induction dictates the bifurcation patterns. We first identified irradiation dichotomy in p53 models and further proposed that bistability and oscillation can behave in a coordinated manner. Further sensitivity analysis revealed that p53 basal production and MDM2-mediated p53 degradation, which are central to cellular control, are most sensitive processes. Also, we identified that the much more significant variations in amplitude of p53 pulses observed in experiments can be derived from overall amplitude parameter sensitivity. The combined approach with bifurcation analysis, stochastic simulation and sampling-based sensitivity analysis not only gives crucial insights into the dynamics of the p53 system, but also creates a fertile ground for understanding the regulatory patterns of other biological networks

  9. Parameter studies for a two-component fusion experiment

    International Nuclear Information System (INIS)

    Towner, H.H.

    1975-01-01

    The sensitivity of the energy multiplication of a two-component fusion experiment is examined relative to the following parameters: energy confinement time (tau/sub E/), particle confinement time (tau/sub p/), effective Z of the plasma (Z/sub eff/), injection rate (j/sub I/) and injection energy (E/sub I/). The Energy Research and Development Administration recently approved funding for such a fusion device (the Toroidal Fusion Test Reactor or TFTR) which will be built at the Princeton Plasma Physics Laboratory. Hence, such a parameter study seems both timely and necessary. This work also serves as an independent check on the design values proposed for the TFTR to enable it to achieve energy breakeven (F = 1). Using the nominal TFTR design parameters and a self-consistent ion-electron power balance, the maximum F-value is found to be approximately 1.2 which occurs at an injection energy of approximately 210 KeV. The injector operation, i.e. its current and energy capability are shown to be a very critical factor in the TFTR performance. However, if the injectors meet the design objectives, there appears to be sufficient latitude in the other parameters to offer reasonable assurance that energy breakeven can be achieved. (U.S.)

  10. Composite fermion basis for two-component Bose gases

    Science.gov (United States)

    Meyer, Marius; Liabotro, Ola

    The composite fermion (CF) construction is known to produce wave functions that are not necessarily orthogonal, or even linearly independent, after projection. While usually not a practical issue in the quantum Hall regime, we have previously shown that it presents a technical challenge for rotating Bose gases with low angular momentum. These are systems where the CF approach yield surprisingly good approximations to the exact eigenstates of weak short-range interactions, and so solving the problem of linearly dependent wave functions is of interest. It can also be useful for studying CF excitations for fermions. Here we present several ways of constructing a basis for the space of ``simple CF states'' for two-component rotating Bose gases in the lowest Landau level, and prove that they all give a basis. Using the basis, we study the structure of the lowest-lying state using so-called restricted wave functions. We also examine the scaling of the overlap between the exact and CF wave functions at the maximal possible angular momentum for simple states. This work was financially supported by the Research Council of Norway.

  11. Cold component flow in a two-component mirror machine

    International Nuclear Information System (INIS)

    Rognlien, T.D.

    1975-12-01

    Steady-state solutions are given for the flow characteristics along the magnetic field of the cold plasma component in a two-component mirror machine. The hot plasma component is represented by a fixed density profile. The fluid equations are used to describe the cold plasma, which is assumed to be generated in a localized region at one end of the machine. The ion flow speed, v/sub i/, is required to satisfy the Bohm sheath condition at the end walls, i.e., v/sub i/ greater than or equal to c/sub s/, where c/sub s/ is the ion-acoustic speed. For the case when the cold plasma density, n/sub c/, is much less than the hot plasma density, n/sub h/, the cold plasma is stagnant and does not penetrate through the machine in the zero temperature case. The effect of a finite temperature is to allow for the penetration of a small amount of cold plasma through the machine. For the density range n/sub c/ approximately n/sub h/, the flow solutions are asymmetric about the midplane and have v/sub i/ = c/sub s/ near the midplane. Finally, for n/sub c/ much greater than n/sub h/, the solutions become symmetric about the midplane and approach the Lee--McNamara type solutions with v/sub i/ = c/sub s/ near the mirror throats

  12. Fast-wave heating of a two-component plasma

    International Nuclear Information System (INIS)

    Stix, T.H.

    1975-02-01

    The use of the compressional hydromagnetic mode (also called the magnetosonic or, simply, the fast wave) is examined in some detail with respect to the heating of a tritium plasma containing a few percent deuterium. Efficient absorption of wave energy by the deuteron component is found when ω = ω/sub c/ (deuterons), with Q/sub wave/ greater than or equal to 100. The dominant behavior of the high-energy deuteron distribution function is found to be f(v) approximately exp[3/2) ∫/sup v/ dv less than Δv greater than/less than(Δv/sub perpendicular to/) 2 greater than], where [Δv] is the Chandrasekhar-Spitzer drag coefficient, and [(Δv/sub perpendicular to/) 2 sigma] is the Kennel-Englemann quasilinear diffusion coefficient for wave--particle interaction at the deuteron cyclotron frequency. An analytic solution to the one-dimensional Fokker--Planck equation, with rf-induced diffusion, is developed, and using this solution together with Duane's fit to the D-T fusion cross-section, it is found that the nuclear fusion power output from an rf-produced two-component plasma can significantly exceed the incremental (radiofrequency) power input. (auth)

  13. Implementation of two-component advective flow solution in XSPEC

    Science.gov (United States)

    Debnath, Dipak; Chakrabarti, Sandip K.; Mondal, Santanu

    2014-05-01

    Spectral and temporal properties of black hole candidates can be explained reasonably well using Chakrabarti-Titarchuk solution of two-component advective flow (TCAF). This model requires two accretion rates, namely the Keplerian disc accretion rate and the halo accretion rate, the latter being composed of a sub-Keplerian, low-angular-momentum flow which may or may not develop a shock. In this solution, the relevant parameter is the relative importance of the halo (which creates the Compton cloud region) rate with respect to the Keplerian disc rate (soft photon source). Though this model has been used earlier to manually fit data of several black hole candidates quite satisfactorily, for the first time, we made it user friendly by implementing it into XSPEC software of Goddard Space Flight Center (GSFC)/NASA. This enables any user to extract physical parameters of the accretion flows, such as two accretion rates, the shock location, the shock strength, etc., for any black hole candidate. We provide some examples of fitting a few cases using this model. Most importantly, unlike any other model, we show that TCAF is capable of predicting timing properties from the spectral fits, since in TCAF, a shock is responsible for deciding spectral slopes as well as quasi-periodic oscillation frequencies. L86

  14. Light-front QCD. II. Two-component theory

    International Nuclear Information System (INIS)

    Zhang, W.; Harindranath, A.

    1993-01-01

    The light-front gauge A a + =0 is known to be a convenient gauge in practical QCD calculations for short-distance behavior, but there are persistent concerns about its use because of its ''singular'' nature. The study of nonperturbative field theory quantizing on a light-front plane for hadronic bound states requires one to gain a priori systematic control of such gauge singularities. In the second paper of this series we study the two-component old-fashioned perturbation theory and various severe infrared divergences occurring in old-fashioned light-front Hamiltonian calculations for QCD. We also analyze the ultraviolet divergences associated with a large transverse momentum and examine three currently used regulators: an explicit transverse cutoff, transverse dimensional regularization, and a global cutoff. We discuss possible difficulties caused by the light-front gauge singularity in the applications of light-front QCD to both old-fashioned perturbative calculations for short-distance physics and upcoming nonperturbative investigations for hadronic bound states

  15. The two-component afterglow of Swift GRB 050802

    Science.gov (United States)

    Oates, S. R.; de Pasquale, M.; Page, M. J.; Blustin, A. J.; Zane, S.; McGowan, K.; Mason, K. O.; Poole, T. S.; Schady, P.; Roming, P. W. A.; Page, K. L.; Falcone, A.; Gehrels, N.

    2007-09-01

    This paper investigates GRB 050802, one of the best examples of a Swift gamma-ray burst afterglow that shows a break in the X-ray light curve, while the optical counterpart decays as a single power law. This burst has an optically bright afterglow of 16.5 mag, detected throughout the 170-650nm spectral range of the Ultraviolet and Optical Telescope (UVOT) onboard Swift. Observations began with the X-ray Telescope and UVOT telescopes 286s after the initial trigger and continued for 1.2 ×106s. The X-ray light curve consists of three power-law segments: a rise until 420s, followed by a slow decay with α =0.63 +/-0.03 until 5000s, after which, the light curve decays faster with a slope of α3 =1.59 +/-0.03. The optical light curve decays as a single power law with αO =0.82 +/-0.03 throughout the observation. The X-ray data on their own are consistent with the break at 5000s being due to the end of energy injection. Modelling the optical to X-ray spectral energy distribution, we find that the optical afterglow cannot be produced by the same component as the X-ray emission at late times, ruling out a single-component afterglow. We therefore considered two-component jet models and find that the X-ray and optical emission is best reproduced by a model in which both components are energy injected for the duration of the observed afterglow and the X-ray break at 5000s is due to a jet break in the narrow component. This bright, well-observed burst is likely a guide for interpreting the surprising finding of Swift that bursts seldom display achromatic jet breaks.

  16. Complexation in two-component chlortetracycline-melanin solutions

    Science.gov (United States)

    Lapina, V. A.; Pershukevich, P. P.; Dontsov, A. E.; Bel'Kov, M. V.

    2008-01-01

    The spectra and kinetics of fluorescence of two-component solutions of the chlortetracycline (CHTC)-DOPA-melanin (melanin or ME) system in water have been investigated. The data obtained have been compared to similar data for solutions of CHTC-melanosome from bull eye (MB), which contains natural melanin, in K-phosphate buffer at pH 7.4. The overall results indicate the occurrence of complexation between molecules of CHTC and ME as they are being excited. The studies of complexation in the solution of CHTC-MB in the buffer are complicated by the formation of a CHTC-buffer complex. The effect of optical radiation in the range 330-750 nm on the CHTC-ME complex shows selectivity: the greatest change in the spectrum occurs when the wavelength of the exciting radiation coincides with the long-wavelength band maximum of the fluorescence excitation spectrum of the CHTC-ME complex in aqueous solution. In this range, CHTC and especially ME show high photochemical stability. The nature of the radiation effect on the studied compounds in the hard UV range (λ < 330 nm) differs greatly from that in the range 330-750 nm. It is apparently accompanied by significant photochemical transmutations of all system components. By comparing the characteristics of the CHTC-ME systems with those of the related drug doxycycline (DC-ME), the conclusion has been made that the chlorine atom plays a vital role in formation of the short-wavelength band in the fluorescence spectrum of the CHTC-ME complex.

  17. Two component systems: physiological effect of a third component.

    Directory of Open Access Journals (Sweden)

    Baldiri Salvado

    Full Text Available Signal transduction systems mediate the response and adaptation of organisms to environmental changes. In prokaryotes, this signal transduction is often done through Two Component Systems (TCS. These TCS are phosphotransfer protein cascades, and in their prototypical form they are composed by a kinase that senses the environmental signals (SK and by a response regulator (RR that regulates the cellular response. This basic motif can be modified by the addition of a third protein that interacts either with the SK or the RR in a way that could change the dynamic response of the TCS module. In this work we aim at understanding the effect of such an additional protein (which we call "third component" on the functional properties of a prototypical TCS. To do so we build mathematical models of TCS with alternative designs for their interaction with that third component. These mathematical models are analyzed in order to identify the differences in dynamic behavior inherent to each design, with respect to functionally relevant properties such as sensitivity to changes in either the parameter values or the molecular concentrations, temporal responsiveness, possibility of multiple steady states, or stochastic fluctuations in the system. The differences are then correlated to the physiological requirements that impinge on the functioning of the TCS. This analysis sheds light on both, the dynamic behavior of synthetically designed TCS, and the conditions under which natural selection might favor each of the designs. We find that a third component that modulates SK activity increases the parameter space where a bistable response of the TCS module to signals is possible, if SK is monofunctional, but decreases it when the SK is bifunctional. The presence of a third component that modulates RR activity decreases the parameter space where a bistable response of the TCS module to signals is possible.

  18. The fractional virial potential energy in two-component systems

    Directory of Open Access Journals (Sweden)

    Caimmi R.

    2008-01-01

    Full Text Available Two-component systems are conceived as macrogases, and the related equation of state is expressed using the virial theorem for subsystems, under the restriction of homeoidally striated density profiles. Explicit calculations are performed for a useful reference case and a few cases of astrophysical interest, both with and without truncation radius. Shallower density profiles are found to yield an equation of state, φ = φ(y, m, characterized (for assigned values of the fractional mass, m = Mj /Mi by the occurrence of two extremum points, a minimum and a maximum, as found in an earlier attempt. Steeper density profiles produce a similar equation of state, which implies that a special value of m is related to a critical curve where the above mentioned extremum points reduce to a single horizontal inflexion point, and curves below the critical one show no extremum points. The similarity of the isofractional mass curves to van der Waals' isothermal curves, suggests the possibility of a phase transition in a bell-shaped region of the (Oyφ plane, where the fractional truncation radius along a selected direction is y = Rj /Ri , and the fractional virial potential energy is φ = (Eji vir /(Eij vir . Further investigation is devoted to mass distributions described by Hernquist (1990 density profiles, for which an additional relation can be used to represent a sample of N = 16 elliptical galaxies (EGs on the (Oyφ plane. Even if the evolution of elliptical galaxies and their hosting dark matter (DM haloes, in the light of the model, has been characterized by equal fractional mass, m, and equal scaled truncation radius, or concentration, Ξu = Ru /r† , u = i, j, still it cannot be considered as strictly homologous, due to different values of fractional truncation radii, y, or fractional scaling radii, y† = r† /r† , deduced from sample objects.

  19. The Fractional Virial Potential Energy in Two-Component Systems

    Directory of Open Access Journals (Sweden)

    Caimmi, R.

    2008-12-01

    Full Text Available Two-component systems are conceived as macrogases, and the related equation of state is expressed using the virial theorem for subsystems, under the restriction of homeoidally striated density profiles. Explicit calculations are performed for a useful reference case and a few cases of astrophysical interest, both with and without truncation radius. Shallower density profiles are found to yield an equation of state, $phi=phi(y,m$, characterized (for assigned values of the fractional mass, $m=M_j/ M_i$ by the occurrence of two extremum points, a minimum and a maximum, as found in an earlier attempt. Steeper density profiles produce a similar equation of state, which implies that a special value of $m$ is related to a critical curve where the above mentioned extremum points reduce to a single horizontal inflexion point, and curves below the critical one show no extremum points. The similarity of the isofractional mass curves to van der Waals' isothermal curves, suggests the possibility of a phase transition in a bell-shaped region of the $({sf O}yphi$ plane, where the fractional truncation radius along a selected direction is $y=R_j/R_i$, and the fractional virial potential energy is $phi=(E_{ji}_mathrm{vir}/(E_{ij}_mathrm{vir}$. Further investigation is devoted to mass distributions described by Hernquist (1990 density profiles, for which an additional relation can be used to represent a sample of $N=16$ elliptical galaxies (EGs on the $({sf O}yphi$ plane. Even if the evolution of elliptical galaxies and their hosting dark matter (DM haloes, in the light of the model, has been characterized by equal fractional mass, $m$, and equal scaled truncation radius, or concentration, $Xi_u=R_u/r_u^dagger$, $u=i,j$, still it cannot be considered as strictly homologous, due to different values of fractional truncation radii, $y$, or fractional scaling radii, $y^dagger=r_j^dagger/r_i^dagger$, deduced from sample objects.

  20. Synthesis and Characterization of Two Component Alloy Nanoparticles

    Science.gov (United States)

    Tabatabaei, Salomeh

    Alloying is an old trick used to produce new materials by synergistically combining at least two components. New developments in nanoscience have enabled new degrees of freedom, such as size, solubility and concentration of the alloying element to be utilized in the design of the physical properties of alloy nanoparticles (ANPs). ANPs as multi-functional materials have applications in catalysis, biomedical technologies and electronics. Phase diagrams of ANPs are very little known and may not represent that of bulk picture, furthermore, ANPs with different crystallite orientation and compositions could remain far from equilibrium. Here, we studied the synthesis and stability of Au-Sn and Ag-Ni ANPs with chemical reduction method at room temperature. Due to the large difference in the redox potentials of Au and Sn, co-reduction is not a reproducible method. However, two step successive reductions was found to be more reliable to generate Au-Sn ANPs which consists of forming clusters in the first step (either without capping agent or with weakly coordinated surfactant molecules) and then undergoing a second reduction step in the presence of another metal salt. Our observation also showed that capping agents (Cetrimonium bromide or (CTAB)) and Polyacrylic acid (PAA)) play a key role in the alloying process and shorter length capping agent (PAA) may facilitate the diffusion of individual components and thus enabling better alloying. Different molar ratios of Sn and Au precursors were used to study the effect of alloying elements on the melting point and the crystalline structures and melting points were determined by various microscopy and spectroscopy techniques and differential scanning calorimetry (DSC). A significant depression (up to150°C) in the melting transition was observed for the Au-Sn ANPs compared to the bulk eutectic point (Tm 280°C) due to the size and shape effect. Au-Sn ANPs offer a unique set of advantages as lead-free solder material which can

  1. Aromatic graphene

    Energy Technology Data Exchange (ETDEWEB)

    Das, D. K., E-mail: gour.netai@gmail.com [Department of Metallurgical and Material Science Engineering, National Institute of Technology Durgapur-713209, West Bengal (India); Sahoo, S., E-mail: sukadevsahoo@yahoo.com [Department of Physics, National Institute of Technology Durgapur-713209, West Bengal (India)

    2016-04-13

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  2. Aromatic graphene

    International Nuclear Information System (INIS)

    Das, D. K.; Sahoo, S.

    2016-01-01

    In recent years graphene attracts the scientific and engineering communities due to its outstanding electronic, thermal, mechanical and optical properties and many potential applications. Recently, Popov et al. [1] have studied the properties of graphene and proved that it is aromatic but without fragrance. In this paper, we present a theory to prepare graphene with fragrance. This can be used as scented pencils, perfumes, room and car fresheners, cosmetics and many other useful household substances.

  3. A Class of Two-Component Adler—Bobenko—Suris Lattice Equations

    International Nuclear Information System (INIS)

    Fu Wei; Zhang Da-Jun; Zhou Ru-Guang

    2014-01-01

    We study a class of two-component forms of the famous list of the Adler—Bobenko—Suris lattice equations. The obtained two-component lattice equations are still consistent around the cube and they admit solutions with ‘jumping properties’ between two levels. (general)

  4. Silicone elastomers with covalently incorporated aromatic voltage stabilisers

    DEFF Research Database (Denmark)

    A Razak, Aliff Hisyam; Skov, Anne Ladegaard

    2017-01-01

    to the incorporationof an aromatic voltage stabiliser, were prepared by cross-linking synthesised polydimethylsiloxane–polyphenylmethylsiloxane (PDMS–PPMS) copolymers. PPMS possesses voltage stabilisation capabilitiesbut is immiscible in PDMS, and thus the copolymerisation of the two components was necessary...... forhomogeneity. Concentrations of the voltage stabiliser were varied by changing the molecular weights ofthe PPMS in the copolymer. The developed elastomers were inherently soft with enhanced electricalbreakdown strengths, due to delocalisedp-electrons of the aromatic constituent. An optimumconcentration...

  5. Methods of producing epoxides from alkenes using a two-component catalyst system

    Science.gov (United States)

    Kung, Mayfair C.; Kung, Harold H.; Jiang, Jian

    2013-07-09

    Methods for the epoxidation of alkenes are provided. The methods include the steps of exposing the alkene to a two-component catalyst system in an aqueous solution in the presence of carbon monoxide and molecular oxygen under conditions in which the alkene is epoxidized. The two-component catalyst system comprises a first catalyst that generates peroxides or peroxy intermediates during oxidation of CO with molecular oxygen and a second catalyst that catalyzes the epoxidation of the alkene using the peroxides or peroxy intermediates. A catalyst system composed of particles of suspended gold and titanium silicalite is one example of a suitable two-component catalyst system.

  6. Onsager Vortex Formation in Two-component Bose-Einstein Condensates

    Science.gov (United States)

    Han, Junsik; Tsubota, Makoto

    2018-06-01

    We numerically study the dynamics of quantized vortices in two-dimensional two-component Bose-Einstein condensates (BECs) trapped by a box potential. For one-component BECs in a box potential, it is known that quantized vortices form Onsager vortices, which are clusters of same-sign vortices. We confirm that the vortices of the two components spatially separate from each other — even for miscible two-component BECs — suppressing the formation of Onsager vortices. This phenomenon is caused by the repulsive interaction between vortices belonging to different components, hence, suggesting a new possibility for vortex phase separation.

  7. Weak nonlinear matter waves in a trapped two-component Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Yong Wenmei; Xue Jukui

    2008-01-01

    The dynamics of the weak nonlinear matter solitary waves in two-component Bose-Einstein condensates (BEC) with cigar-shaped external potential are investigated analytically by a perturbation method. In the small amplitude limit, the two-components can be decoupled and the dynamics of solitary waves are governed by a variable-coefficient Korteweg-de Vries (KdV) equation. The reduction to the KdV equation may be useful to understand the dynamics of nonlinear matter waves in two-component BEC. The analytical expressions for the evolution of soliton, emitted radiation profiles and soliton oscillation frequency are also obtained

  8. Thermodynamics of two component gaseous and solid state plasmas at any degeneracy

    International Nuclear Information System (INIS)

    Kraeft, W.D.; Stolzmann, W.; Fromhold-Treu, I.; Rother, T.

    1988-10-01

    We give the results of thermodynamical calculations for two component plasmas which are of interest for dense hydrogen, noble gas and alkali plasmas and for electron hole plasmas in optically excited semiconductors as well. 25 refs, 4 figs

  9. Stability equation and two-component Eigenmode for domain walls in scalar potential model

    International Nuclear Information System (INIS)

    Dias, G.S.; Graca, E.L.; Rodrigues, R. de Lima

    2002-08-01

    Supersymmetric quantum mechanics involving a two-component representation and two-component eigenfunctions is applied to obtain the stability equation associated to a potential model formulated in terms of two coupled real scalar fields. We investigate the question of stability by introducing an operator technique for the Bogomol'nyi-Prasad-Sommerfield (BPS) and non-BPS states on two domain walls in a scalar potential model with minimal N 1-supersymmetry. (author)

  10. Competitive Adsorption of a Two-Component Gas on a Deformable Adsorbent

    OpenAIRE

    Usenko, A. S.

    2013-01-01

    We investigate the competitive adsorption of a two-component gas on the surface of an adsorbent whose adsorption properties vary in adsorption due to the adsorbent deformation. The essential difference of adsorption isotherms for a deformable adsorbent both from the classical Langmuir adsorption isotherms of a two-component gas and from the adsorption isotherms of a one-component gas taking into account variations in adsorption properties of the adsorbent in adsorption is obtained. We establi...

  11. Chloroplast two-component systems: evolution of the link between photosynthesis and gene expression.

    Science.gov (United States)

    Puthiyaveetil, Sujith; Allen, John F

    2009-06-22

    Two-component signal transduction, consisting of sensor kinases and response regulators, is the predominant signalling mechanism in bacteria. This signalling system originated in prokaryotes and has spread throughout the eukaryotic domain of life through endosymbiotic, lateral gene transfer from the bacterial ancestors and early evolutionary precursors of eukaryotic, cytoplasmic, bioenergetic organelles-chloroplasts and mitochondria. Until recently, it was thought that two-component systems inherited from an ancestral cyanobacterial symbiont are no longer present in chloroplasts. Recent research now shows that two-component systems have survived in chloroplasts as products of both chloroplast and nuclear genes. Comparative genomic analysis of photosynthetic eukaryotes shows a lineage-specific distribution of chloroplast two-component systems. The components and the systems they comprise have homologues in extant cyanobacterial lineages, indicating their ancient cyanobacterial origin. Sequence and functional characteristics of chloroplast two-component systems point to their fundamental role in linking photosynthesis with gene expression. We propose that two-component systems provide a coupling between photosynthesis and gene expression that serves to retain genes in chloroplasts, thus providing the basis of cytoplasmic, non-Mendelian inheritance of plastid-associated characters. We discuss the role of this coupling in the chronobiology of cells and in the dialogue between nuclear and cytoplasmic genetic systems.

  12. Comparative Analysis of Wolbachia Genomes Reveals Streamlining and Divergence of Minimalist Two-Component Systems

    Science.gov (United States)

    Christensen, Steen; Serbus, Laura Renee

    2015-01-01

    Two-component regulatory systems are commonly used by bacteria to coordinate intracellular responses with environmental cues. These systems are composed of functional protein pairs consisting of a sensor histidine kinase and cognate response regulator. In contrast to the well-studied Caulobacter crescentus system, which carries dozens of these pairs, the streamlined bacterial endosymbiont Wolbachia pipientis encodes only two pairs: CckA/CtrA and PleC/PleD. Here, we used bioinformatic tools to compare characterized two-component system relays from C. crescentus, the related Anaplasmataceae species Anaplasma phagocytophilum and Ehrlichia chaffeensis, and 12 sequenced Wolbachia strains. We found the core protein pairs and a subset of interacting partners to be highly conserved within Wolbachia and these other Anaplasmataceae. Genes involved in two-component signaling were positioned differently within the various Wolbachia genomes, whereas the local context of each gene was conserved. Unlike Anaplasma and Ehrlichia, Wolbachia two-component genes were more consistently found clustered with metabolic genes. The domain architecture and key functional residues standard for two-component system proteins were well-conserved in Wolbachia, although residues that specify cognate pairing diverged substantially from other Anaplasmataceae. These findings indicate that Wolbachia two-component signaling pairs share considerable functional overlap with other α-proteobacterial systems, whereas their divergence suggests the potential for regulatory differences and cross-talk. PMID:25809075

  13. Transcriptome analysis of all two-component regulatory system mutants of Escherichia coli K-12.

    Science.gov (United States)

    Oshima, Taku; Aiba, Hirofumi; Masuda, Yasushi; Kanaya, Shigehiko; Sugiura, Masahito; Wanner, Barry L; Mori, Hirotada; Mizuno, Takeshi

    2002-10-01

    We have systematically examined the mRNA profiles of 36 two-component deletion mutants, which include all two-component regulatory systems of Escherichia coli, under a single growth condition. DNA microarray results revealed that the mutants belong to one of three groups based on their gene expression profiles in Luria-Bertani broth under aerobic conditions: (i) those with no or little change; (ii) those with significant changes; and (iii) those with drastic changes. Under these conditions, the anaeroresponsive ArcB/ArcA system, the osmoresponsive EnvZ/OmpR system and the response regulator UvrY showed the most drastic changes. Cellular functions such as flagellar synthesis and expression of the RpoS regulon were affected by multiple two-component systems. A high correlation coefficient of expression profile was found between several two-component mutants. Together, these results support the view that a network of functional interactions, such as cross-regulation, exists between different two-component systems. The compiled data are avail-able at our website (http://ecoli.aist-nara.ac.jp/xp_analysis/ 2_components).

  14. Nonlinear low frequency electrostatic structures in a magnetized two-component auroral plasma

    Energy Technology Data Exchange (ETDEWEB)

    Rufai, O. R., E-mail: rajirufai@gmail.com [University of the Western Cape, Bellville 7535, Cape-Town (South Africa); Scientific Computing, Memorial University of Newfoundland, St John' s, Newfoundland and Labrador A1C 5S7 (Canada); Bharuthram, R., E-mail: rbharuthram@uwc.ac.za [University of the Western Cape, Bellville 7535, Cape-Town (South Africa); Singh, S. V., E-mail: satyavir@iigs.iigm.res.in; Lakhina, G. S., E-mail: lakhina@iigs.iigm.res.in [University of the Western Cape, Bellville 7535, Cape-Town (South Africa); Indian Institute of Geomagnetism, New Panvel (W), Navi Mumbai 410218 (India)

    2016-03-15

    Finite amplitude nonlinear ion-acoustic solitons, double layers, and supersolitons in a magnetized two-component plasma composed of adiabatic warm ions fluid and energetic nonthermal electrons are studied by employing the Sagdeev pseudopotential technique and assuming the charge neutrality condition at equilibrium. The model generates supersoliton structures at supersonic Mach numbers regime in addition to solitons and double layers, whereas in the unmagnetized two-component plasma case only, soliton and double layer solutions can be obtained. Further investigation revealed that wave obliqueness plays a critical role for the evolution of supersoliton structures in magnetized two-component plasmas. In addition, the effect of ion temperature and nonthermal energetic electron tends to decrease the speed of oscillation of the nonlinear electrostatic structures. The present theoretical results are compared with Viking satellite observations.

  15. Two component injection moulding: an interface quality and bond strength dilemma

    DEFF Research Database (Denmark)

    Islam, Mohammad Aminul; Hansen, Hans Nørgaard; Tang, Peter Torben

    2008-01-01

    on quality parameters of the two component parts. Most engineering applications of two component injection moulding calls for high bond strength between the two polymers, on the other hand a sharp and well-defined interface between the two polymers are required for applications like selective metallization...... of polymers, parts for micro applications and also for the aesthetic purpose of the final product. The investigation presented in this paper indicates a dilemma between obtaining reasonably good bond strength and at the same time keeping the interface quality suitable for applications. The required process...... conditions for a sharp and well-defined interface are exactly the opposite of what is congenial for higher bond strength. So in the production of two component injection moulded parts, there is a compromise to make between the interface quality and the bond strength of the two polymers. Also the injection...

  16. MODELING THERMAL DUST EMISSION WITH TWO COMPONENTS: APPLICATION TO THE PLANCK HIGH FREQUENCY INSTRUMENT MAPS

    International Nuclear Information System (INIS)

    Meisner, Aaron M.; Finkbeiner, Douglas P.

    2015-01-01

    We apply the Finkbeiner et al. two-component thermal dust emission model to the Planck High Frequency Instrument maps. This parameterization of the far-infrared dust spectrum as the sum of two modified blackbodies (MBBs) serves as an important alternative to the commonly adopted single-MBB dust emission model. Analyzing the joint Planck/DIRBE dust spectrum, we show that two-component models provide a better fit to the 100-3000 GHz emission than do single-MBB models, though by a lesser margin than found by Finkbeiner et al. based on FIRAS and DIRBE. We also derive full-sky 6.'1 resolution maps of dust optical depth and temperature by fitting the two-component model to Planck 217-857 GHz along with DIRBE/IRAS 100 μm data. Because our two-component model matches the dust spectrum near its peak, accounts for the spectrum's flattening at millimeter wavelengths, and specifies dust temperature at 6.'1 FWHM, our model provides reliable, high-resolution thermal dust emission foreground predictions from 100 to 3000 GHz. We find that, in diffuse sky regions, our two-component 100-217 GHz predictions are on average accurate to within 2.2%, while extrapolating the Planck Collaboration et al. single-MBB model systematically underpredicts emission by 18.8% at 100 GHz, 12.6% at 143 GHz, and 7.9% at 217 GHz. We calibrate our two-component optical depth to reddening, and compare with reddening estimates based on stellar spectra. We find the dominant systematic problems in our temperature/reddening maps to be zodiacal light on large angular scales and the cosmic infrared background anisotropy on small angular scales

  17. Anisotropic properties of phase separation in two-component dipolar Bose-Einstein condensates

    Science.gov (United States)

    Wang, Wei; Li, Jinbin

    2018-03-01

    Using Crank-Nicolson method, we calculate ground state wave functions of two-component dipolar Bose-Einstein condensates (BECs) and show that, due to dipole-dipole interaction (DDI), the condensate mixture displays anisotropic phase separation. The effects of DDI, inter-component s-wave scattering, strength of trap potential and particle numbers on the density profiles are investigated. Three types of two-component profiles are present, first cigar, along z-axis and concentric torus, second pancake (or blood cell), in xy-plane, and two non-uniform ellipsoid, separated by the pancake and third two dumbbell shapes.

  18. Density profiles and collective excitations of a trapped two-component Fermi vapour

    International Nuclear Information System (INIS)

    Amoruso, M.; Meccoli, I.; Minguzzi, A.; Tosi, M.P.

    1999-08-01

    We discuss the ground state and the small-amplitude excitations of a degenerate vapour of fermionic atoms placed in two hyperfine states inside a spherical harmonic trap. An equations-of-motion approach is set up to discuss the hydrodynamic dissipation processes from the interactions between the two components of the fluid beyond mean-field theory and to emphasize analogies with spin dynamics and spin diffusion in a homogeneous Fermi liquid. The conditions for the establishment of a collisional regime via scattering against cold-atom impurities are analyzed. The equilibrium density profiles are then calculated for a two-component vapour of 40 K atoms: they are little modified by the interactions for presently relevant values of the system parameters, but spatial separation of the two components will spontaneously arise as the number of atoms in the trap is increased. The eigenmodes of collective oscillation in both the total particle number density and the concentration density are evaluated analytically in the special case of a symmetric two-component vapour in the collisional regime. The dispersion relation of the surface modes for the total particle density reduces in this case to that of a one-component Fermi vapour, whereas the frequencies of all other modes are shifted by the interactions. (author)

  19. The essential YycFG two-component system controls cell wall metabolism in Bacillus subtilis

    DEFF Research Database (Denmark)

    Bisicchia, Paola; Noone, David; Lioliou, Efthimia

    2007-01-01

    Adaptation of bacteria to the prevailing environmental and nutritional conditions is often mediated by two-component signal transduction systems (TCS). The Bacillus subtilis YycFG TCS has attracted special attention as it is essential for viability and its regulon is poorly defined. Here we show...

  20. Two component system that regulates methanol and formaldehyde oxidation in Paracoccus denitrificans.

    NARCIS (Netherlands)

    Harms, N.; Reijnders, W.N.M.; Koning, S.; van Spanning, R.J.M.

    2001-01-01

    A chromosomal region encoding a two-component regulatory system, FlhRS, has been isolated from Paracoccus denitrificans. FlhRS-deficient mutants were unable to grow on methanol, methylamine, or choline as the carbon and energy source. Expression of the gene encoding glutathione-dependent

  1. Two-component system that regulates methanol and formaldehyde oxidation in Paracoccus denitrificans.

    NARCIS (Netherlands)

    Harms, N.; Reijnders, W.N.M.; Koning, S.; van Spanning, R.J.M.

    2001-01-01

    A chromosomal region encoding a two-component regulatory system, FlhRS, has been isolated from Paracoccus denitrificans. FlhRS-deficient mutants were unable to grow on methanol, methylamine, or choline as the carbon and energy source. Expression of the gene encoding glutathione-dependent

  2. A novel two-component system involved in secretion stress response in Streptomyces lividans.

    Directory of Open Access Journals (Sweden)

    Sonia Gullón

    Full Text Available BACKGROUND: Misfolded proteins accumulating outside the bacterial cytoplasmic membrane can interfere with the secretory machinery, hence the existence of quality factors to eliminate these misfolded proteins is of capital importance in bacteria that are efficient producers of secretory proteins. These bacteria normally use a specific two-component system to respond to the stress produced by the accumulation of the misfolded proteins, by activating the expression of HtrA-like proteases to specifically eliminate the incorrectly folded proteins. METHODOLOGY/PRINCIPAL FINDINGS: Overproduction of alpha-amylase in S. lividans causing secretion stress permitted the identification of a two-component system (SCO4156-SCO4155 that regulates three HtrA-like proteases which appear to be involved in secretion stress response. Mutants in each of the genes forming part of the two-genes operon that encodes the sensor and regulator protein components accumulated misfolded proteins outside the cell, strongly suggesting the involvement of this two-component system in the S. lividans secretion stress response. CONCLUSIONS/SIGNIFICANCE: To our knowledge this is the first time that a specific secretion stress response two-component system is found to control the expression of three HtrA-like protease genes in S. lividans, a bacterium that has been repeatedly used as a host for the synthesis of homologous and heterologous secretory proteins of industrial application.

  3. A two-component dark matter model with real singlet scalars ...

    Indian Academy of Sciences (India)

    Theoretical framework. In the present work, the dark matter candidate has two components S and S′ both of ... The scalar sector potential (for Higgs and two real singlet scalars) in this framework can then be written .... In this work we obtain the allowed values of model parameters (δ2, δ′2, MS and M′S) using three direct ...

  4. Design of a Novel Two-Component Hybrid Dermal Scaffold for the Treatment of Pressure Sores.

    Science.gov (United States)

    Sharma, Vaibhav; Kohli, Nupur; Moulding, Dale; Afolabi, Halimat; Hook, Lilian; Mason, Chris; García-Gareta, Elena

    2017-11-01

    The aim of this study is to design a novel two-component hybrid scaffold using the fibrin/alginate porous hydrogel Smart Matrix combined to a backing layer of plasma polymerized polydimethylsiloxane (Sil) membrane to make the fibrin-based dermal scaffold more robust for the treatment of the clinically challenging pressure sores. A design criteria are established, according to which the Sil membranes are punched to avoid collection of fluid underneath. Manual peel test shows that native silicone does not attach to the fibrin/alginate component while the plasma polymerized silicone membranes are firmly bound to fibrin/alginate. Structural characterization shows that the fibrin/alginate matrix is intact after the addition of the Sil membrane. By adding a Sil membrane to the original fibrin/alginate scaffold, the resulting two-component scaffolds have a significantly higher shear or storage modulus G'. In vitro cell studies show that dermal fibroblasts remain viable, proliferate, and infiltrate the two-component hybrid scaffolds during the culture period. These results show that the design of a novel two-component hybrid dermal scaffold is successful according to the proposed design criteria. To the best of the authors' knowledge, this is the first study that reports the combination of a fibrin-based scaffold with a plasma-polymerized silicone membrane. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Correlation inequalities for two-component hypercubic φ4 models. Pt. 2

    International Nuclear Information System (INIS)

    Soria, J.L.; Instituto Tecnologico de Tijuana

    1990-01-01

    We continue the program started in the first paper (J. Stat. Phys. 52 (1988) 711-726). We find new and already known correlation inequalities for a family of two-component hypercubic φ 4 models, using techniques of rotated correlation inequalities and random walk representation. (orig.)

  6. Multiple Two-Component Systems of Streptococcus mutans Regulate Agmatine Deiminase Gene Expression and Stress Tolerance▿

    OpenAIRE

    Liu, Yaling; Burne, Robert A.

    2009-01-01

    Induction of the agmatine deiminase system (AgDS) of Streptococcus mutans requires agmatine and is optimal at low pH. We show here that the VicRK, ComDE, and CiaRH two-component systems influence AgDS gene expression in response to acidic and thermal stresses.

  7. A two-component dark matter model with real singlet scalars ...

    Indian Academy of Sciences (India)

    2016-01-05

    Jan 5, 2016 ... We propose a two-component dark matter (DM) model, each component of which is a real singlet scalar, to explain results from both direct and indirect detection experiments. We put the constraints on the model parameters from theoretical bounds, PLANCK relic density results and direct DM experiments.

  8. The 27 Possible Intrinsic Symmetry Groups of Two-Component Links

    Directory of Open Access Journals (Sweden)

    Jason Parsley

    2012-02-01

    Full Text Available We consider the “intrinsic” symmetry group of a two-component link L, defined to be the image ∑(L of the natural homomorphism from the standard symmetry group MCG(S3, L to the product MCG(S3 × MCG(L. This group, first defined by Whitten in 1969, records directly whether L is isotopic to a link L′ obtained from L by permuting components or reversing orientations; it is a subgroup of Γ2, the group of all such operations. For two-component links, we catalog the 27 possible intrinsic symmetry groups, which represent the subgroups of Γ2 up to conjugacy. We are able to provide prime, nonsplit examples for 21 of these groups; some are classically known, some are new. We catalog the frequency at which each group appears among all 77,036 of the hyperbolic two-component links of 14 or fewer crossings in Thistlethwaite’s table. We also provide some new information about symmetry groups of the 293 non-hyperbolic two-component links of 14 or fewer crossings in the table.

  9. Light Responsive Two-Component Supramolecular Hydrogel: A Sensitive Platform for Humidity Sensors

    KAUST Repository

    Samai, Suman

    2016-02-15

    The supramolecular assembly of anionic azobenzene dicarboxylate and cationic cetyltrimethylammonium bromide (CTAB) formed a stimuli responsive hydrogel with a critical gelation concentration (CGC) of 0.33 wt%. This self-sustainable two-component system was able to repair damage upon light irradiation. Moreover, it was successfully employed in the fabrication of highly sensitive humidity sensors for the first time.

  10. Light Responsive Two-Component Supramolecular Hydrogel: A Sensitive Platform for Humidity Sensors

    KAUST Repository

    Samai, Suman; Sapsanis, Christos; Patil, Sachin; Ezzeddine, Alaa; Moosa, Basem; Omran, Hesham; Emwas, Abdul-Hamid M.; Salama, Khaled N.; Khashab, Niveen M.

    2016-01-01

    The supramolecular assembly of anionic azobenzene dicarboxylate and cationic cetyltrimethylammonium bromide (CTAB) formed a stimuli responsive hydrogel with a critical gelation concentration (CGC) of 0.33 wt%. This self-sustainable two-component system was able to repair damage upon light irradiation. Moreover, it was successfully employed in the fabrication of highly sensitive humidity sensors for the first time.

  11. New methods for the characterization of pyrocarbon; The two component model of pyrocarbon

    Energy Technology Data Exchange (ETDEWEB)

    Luhleich, H.; Sutterlin, L.; Hoven, H.; Nickel, H.

    1972-04-19

    In the first part, new experiments to clarify the origin of different pyrocarbon components are described. Three new methods (plasma-oxidation, wet-oxidation, ultrasonic method) are presented to expose the carbon black like component in the pyrocarbon deposited in fluidized beds. In the second part, a two component model of pyrocarbon is proposed and illustrated by examples.

  12. The chemistry of two-component fluoride crystalline optical media for heavy, fast, radiation hard scintillators

    International Nuclear Information System (INIS)

    Sobolev, B.P.; Krivandina, E.A.; Fedorov, P.P.; Vasilchenko, V.G.

    1994-01-01

    Prospects for preparation of two-component dense optical materials for scintillators are shown, using data on phase diagrams of about 300 MF m - RF n (m, n ≤ 4) type systems, formed by metal fluorides. Primary characteristics (decay time and light output of luminescence, radiation hardness, etc.) of some multicomponent crystals are reported

  13. Preventive effect of two-component chemical radioprotector and variability in its application

    International Nuclear Information System (INIS)

    Lambov, V.; Metodiev, S.

    1993-01-01

    The purpose of the study is to evaluate the radioprotective efficiency of two-component radioprotective schema consisting of the chemically synthesized radioprotector WR-2721 (OK-79) and a new glycoside pigment obtained from melanoidine CL. The application of melanoidine 7-21 days before WR-2721 significantly increases the radioprotective efficiency of the chemically obtained product and enhances the 30-day survival of hybrid mice treated with 15 Gy whole body gamma irradiation. The effect of potentiated radioprotection is not observed when the interval between the application of the two agents is reduced to 24 h. It is suggested that the observed enhancement of the radioprotective efficiency in the two-component schema is due to the antioxidant and immuno modulating properties of the pigment product, observed and described in our previous investigations. (author)

  14. A hybrid two-component Bose–Einstein condensate interferometer for measuring magnetic field gradients

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Fei [Key Laboratory of Fiber Optic Sensing Technology and Information Processing, Ministry of Education, Wuhan University of Technology, Wuhan 430070 (China); Huang, Jiahao, E-mail: hjiahao@mail2.sysu.edu.cn [TianQin Research Center & School of Physics and Astronomy, Sun Yat-Sen University, SYSU Zhuhai Campus, Zhuhai 519082 (China); Liu, Quan [Key Laboratory of Fiber Optic Sensing Technology and Information Processing, Ministry of Education, Wuhan University of Technology, Wuhan 430070 (China)

    2017-03-03

    Highlights: • A scheme for detecting magnetic field gradients via a double-well two-component Bose–Einstein condensate interferometer. • The magnetic field gradient can be extracted by either the spin population or the external state. • Our proposal is potentially sensitive to weak magnetic field inhomogeneity due to its small sensor size. - Abstract: We have proposed a scheme to detect magnetic field gradients via an interferometer based on a double-well two-component Bose–Einstein condensate (BEC). Utilizing a sequence of quantum control operations on both external and internal degree of the BEC, one can extract the magnetic field gradients by measuring either the population in one component or the fidelity between the final external state and the initial ground state. Our scheme can be implemented by current experimental techniques of manipulating ultracold atoms.

  15. Competitive adsorption of a two-component gas on a deformable adsorbent

    International Nuclear Information System (INIS)

    Usenko, A S

    2014-01-01

    We investigate the competitive adsorption of a two-component gas on the surface of an adsorbent whose adsorption properties vary due to the adsorbent deformation. The essential difference of adsorption isotherms for a deformable adsorbent both from the classical Langmuir adsorption isotherms of a two-component gas and from the adsorption isotherms of a one-component gas is obtained, taking into account variations in the adsorption properties of the adsorbent in adsorption. We establish bistability and tristability of the system caused by variations in adsorption properties of the adsorbent in competitive adsorption of gas particles on it. We derive conditions under which adsorption isotherms of a binary gas mixture have two stable asymptotes. It is shown that the specific features of the behavior of the system under study can be described in terms of a potential of the known explicit form. (paper)

  16. Multistability in an optomechanical system with a two-component Bose-Einstein condensate

    International Nuclear Information System (INIS)

    Dong Ying; Ye Jinwu; Pu Han

    2011-01-01

    We investigate a system consisting of a two-component Bose-Einstein condensate interacting dispersively with a Fabry-Perot optical cavity where the two components of the condensate are resonantly coupled to each other by another classical field. The key feature of this system is that the atomic motional degrees of freedom and the internal pseudospin degrees of freedom are coupled to the cavity field simultaneously, hence an effective spin-orbital coupling within the condensate is induced by the cavity. The interplay among the atomic center-of-mass motion, the atomic collective spin, and the cavity field leads to a strong nonlinearity, resulting in multistable behavior in both matter wave and light wave at the few-photon level.

  17. The role of the Kubo number in two-component turbulence

    International Nuclear Information System (INIS)

    Qin, G.; Shalchi, A.

    2013-01-01

    We explore the random walk of magnetic field lines in two-component turbulence by using computer simulations. It is often assumed that the two-component model provides a good approximation for solar wind turbulence. We explore the dependence of the field line diffusion coefficient on the Kubo number which is a fundamental and characteristic quantity in the theory of turbulence. We show that there are two transport regimes. One is the well-known quasilinear regime in which the diffusion coefficient is proportional to the Kubo number squared, and the second one is a nonlinear regime in which the diffusion coefficient is directly proportional to the Kubo number. The so-called percolative transport regime which is often discussed in the literature cannot be found. The numerical results obtained in the present paper confirm analytical theories for random walking field lines developed in the past

  18. Theoretical calculation of cryogenic distillation for two-component hydrogen isotope system

    International Nuclear Information System (INIS)

    Xia Xiulong; Luo Yangming; Wang Heyi; Fu Zhonghua; Liu Jun; Han Jun; Gu Mei

    2005-10-01

    Cryogenic distillation model for single column was built to simulating hydrogen isotope separation system. Three two-component system H 2 /HD, H 2 /HT and D 2 /DT was studied. Both temperature and concentration distribution was obtained and the results show a clear separation characteristics. H 2 /HT has the best separation performance while D 2 /DT was the most difficult to separate. (authors)

  19. Nutrition quality, body size and two components of mating behavior in Drosophila melanogaster.

    Science.gov (United States)

    Pavković-Lucić, Sofija; Kekić, Vladimir

    2010-01-01

    Two components of mating behavior, mating latency and duration of copulation, were investigated in Drosophila melanogaster males from three different "nutritional" strains, reared for more than 35 generations on banana, tomato and cornmeal-agar-yeast substrates. Males from different strains did not differ according to mating latency and duration of copulation. Also, the sizes of males from different strains did not contribute to these behavioral traits.

  20. A two-component generalized extreme value distribution for precipitation frequency analysis

    Czech Academy of Sciences Publication Activity Database

    Rulfová, Zuzana; Buishand, A.; Roth, M.; Kyselý, Jan

    2016-01-01

    Roč. 534, March (2016), s. 659-668 ISSN 0022-1694 R&D Projects: GA ČR(CZ) GA14-18675S Institutional support: RVO:68378289 Keywords : precipitation extremes * two-component extreme value distribution * regional frequency analysis * convective precipitation * stratiform precipitation * Central Europe Subject RIV: DG - Athmosphere Sciences, Meteorology Impact factor: 3.483, year: 2016 http://www.sciencedirect.com/science/article/pii/S0022169416000500

  1. Two-component bond for coating materials coming into contact with radioactivity

    International Nuclear Information System (INIS)

    Svoboda, L.; Fajfr, K.

    1989-01-01

    The two-component bonding agent consists of an epoxy resin of the diane-bis-glycidyl ether type and an amine hardener containing benzyl alcohol and bis-2-ethylhexyl phthalate. The claimed bond features high radiation stability and very good decontaminability. Thanks to low viscosity of the bond, pigmented reactor-plastics can be prepared. The procedure is described of applying the bond onto a concrete surface. (E.S.)

  2. Two-component fluid membranes near repulsive walls: Linearized hydrodynamics of equilibrium and nonequilibrium states.

    Science.gov (United States)

    Sankararaman, Sumithra; Menon, Gautam I; Sunil Kumar, P B

    2002-09-01

    We study the linearized hydrodynamics of a two-component fluid membrane near a repulsive wall, using a model that incorporates curvature-concentration coupling as well as hydrodynamic interactions. This model is a simplified version of a recently proposed one [J.-B. Manneville et al., Phys. Rev. E 64, 021908 (2001)] for nonequilibrium force centers embedded in fluid membranes, such as light-activated bacteriorhodopsin pumps incorporated in phospholipid egg phosphatidyl choline (EPC) bilayers. The pump-membrane system is modeled as an impermeable, two-component bilayer fluid membrane in the presence of an ambient solvent, in which one component, representing active pumps, is described in terms of force dipoles displaced with respect to the bilayer midpoint. We first discuss the case in which such pumps are rendered inactive, computing the mode structure in the bulk as well as the modification of hydrodynamic properties by the presence of a nearby wall. These results should apply, more generally, to equilibrium fluid membranes comprised of two components, in which the effects of curvature-concentration coupling are significant, above the threshold for phase separation. We then discuss the fluctuations and mode structure in the steady state of active two-component membranes near a repulsive wall. We find that proximity to the wall smoothens membrane height fluctuations in the stable regime, resulting in a logarithmic scaling of the roughness even for initially tensionless membranes. This explicitly nonequilibrium result is a consequence of the incorporation of curvature-concentration coupling in our hydrodynamic treatment. This result also indicates that earlier scaling arguments which obtained an increase in the roughness of active membranes near repulsive walls upon neglecting the role played by such couplings may need to be reevaluated.

  3. Role of Streptococcus mutans two-component systems in antimicrobial peptide resistance in the oral cavity

    OpenAIRE

    Kawada-Matsuo, Miki; Komatsuzawa, Hitoshi

    2017-01-01

    Summary Approximately 100 trillion microorganisms exist in the oral cavity. For the commensal bacteria of the oral cavity, it is important to adapt to environmental stimuli, including human- or bacteria-derived antimicrobial agents. Recently, bacterial-specific signal transduction regulatory systems, called two-component systems (TCSs), which appear to be focused on sensing and adapting to the environment, were discovered. Streptococcus mutans is an oral commensal bacteria and is also known a...

  4. Two components of Na emission in sonoluminescence spectrum from surfactant aqueous solutions.

    Science.gov (United States)

    Hayashi, Yuichi; Choi, Pak-Kon

    2015-03-01

    Sonoluminescence from sodium dodecyl sulfate (SDS) aqueous solutions exhibits Na emission. The spectrum of Na emission was measured as a function of sonication time for a total of 30 min at an ultrasonic frequency of 148 kHz. The spectral line profiles changed with the sonication time, suggesting that the Na emission consists of two components: broadened lines, which are shifted from the original D lines, and unshifted narrow lines. The intensity of the unshifted narrow lines decreased at a greater rate than that of the broadened lines with increasing sonication time. This effect was enhanced at a higher acoustic power. The shifted broadened lines remained after sonication for 30 min. We propose that these quenching effects are caused by the accumulation of gases decomposed from SDS molecules inside bubbles. The CO₂ gas dependence of Na emission in NaCl aqueous solutions showed a similar change in the line profiles to that in SDS aqueous solutions, which supported this proposition. The unshifted narrow lines are easily affected by foreign gases. The results suggest that the two components originate from different environments around the emitting species, although both of them originate from the gas phase inside bubbles. The generation mechanisms of the two components are discussed. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Molecular Orientation in Two Component Vapor-Deposited Glasses: Effect of Substrate Temperature and Molecular Shape

    Science.gov (United States)

    Powell, Charles; Jiang, Jing; Walters, Diane; Ediger, Mark

    Vapor-deposited glasses are widely investigated for use in organic electronics including the emitting layers of OLED devices. These materials, while macroscopically homogenous, have anisotropic packing and molecular orientation. By controlling this orientation, outcoupling efficiency can be increased by aligning the transition dipole moment of the light-emitting molecules parallel to the substrate. Light-emitting molecules are typically dispersed in a host matrix, as such, it is imperative to understand molecular orientation in two-component systems. In this study we examine two-component vapor-deposited films and the orientations of the constituent molecules using spectroscopic ellipsometry, UV-vis and IR spectroscopy. The role of temperature, composition and molecular shape as it effects molecular orientation is examined for mixtures of DSA-Ph in Alq3 and in TPD. Deposition temperature relative to the glass transition temperature of the two-component mixture is the primary controlling factor for molecular orientation. In mixtures of DSA-Ph in Alq3, the linear DSA-Ph has a horizontal orientation at low temperatures and slight vertical orientation maximized at 0.96Tg,mixture, analogous to one-component films.

  6. The Umov effect in application to an optically thin two-component cloud of cosmic dust

    Science.gov (United States)

    Zubko, Evgenij; Videen, Gorden; Zubko, Nataliya; Shkuratov, Yuriy

    2018-04-01

    The Umov effect is an inverse correlation between linear polarization of the sunlight scattered by an object and its geometric albedo. The Umov effect has been observed in particulate surfaces, such as planetary regoliths, and recently it also was found in single-scattering small dust particles. Using numerical modeling, we study the Umov effect in a two-component mixture of small irregularly shaped particles. Such a complex chemical composition is suggested in cometary comae and other types of optically thin clouds of cosmic dust. We find that the two-component mixtures of small particles also reveal the Umov effect regardless of the chemical composition of their end-member components. The interrelation between log(Pmax) and log(A) in a two-component mixture of small irregularly shaped particles appears either in a straight linear form or in a slightly curved form. This curvature tends to decrease while the index n in a power-law size distribution r-n grows; at n > 2.5, the log(Pmax)-log(A) diagrams are almost straight linear in appearance. The curvature also noticeably decreases with the packing density of constituent material in irregularly shaped particles forming the mixture. That such a relation exists suggest the Umov effect may also be observed in more complex mixtures.

  7. Correlation inequalities for two-component hypercubic /varreverse arrowphi/4 models

    International Nuclear Information System (INIS)

    Soria, J.L.

    1988-01-01

    A collection of new and already known correlation inequalities is found for a family of two-component hypercubic /varreverse arrowphi/ 4 models, using techniques of duplicated variables, rotated correlation inequalities, and random walk representation. Among the interesting new inequalities are: rotated very special Dunlop-Newman inequality 2 ; /varreverse arrowphi//sub 1z/ 2 + /varreverse arrowphi//sub 2z/ 2 ≥ 0, rotated Griffiths I inequality 2 - /varreverse arrowphi//sub 2z/ 2 > ≥ 0, and anti-Lebowitz inequality u 4 1111 ≥ 0

  8. Chemically reacting flow of a compressible thermally radiating two-component plasma

    International Nuclear Information System (INIS)

    Bestman, A.R.

    1990-12-01

    The paper studies the compressible flow of a hot two-component plasma in the presence of gravitation and chemical reaction in a vertical channel. For the optically thick gas approximation, closed form analytical solutions are possible. Asymptotic solutions are also obtained for the general differential approximation when the temperature of the two bounding walls are the same. In the general case the problem is reduced to the solution of standard nonlinear integral equations which can be tackled by iterative procedure. The results are discussed quantitatively. The problem may be applicable to the understanding of explosive hydrogen-burning model of solar flares. (author). 6 refs, 4 figs

  9. The Two-Component Virial Theorem and the Physical Properties of Stellar Systems.

    Science.gov (United States)

    Dantas; Ribeiro; Capelato; de Carvalho RR

    2000-01-01

    Motivated by present indirect evidence that galaxies are surrounded by dark matter halos, we investigate whether their physical properties can be described by a formulation of the virial theorem that explicitly takes into account the gravitational potential term representing the interaction of the dark halo with the baryonic or luminous component. Our analysis shows that the application of such a "two-component virial theorem" not only accounts for the scaling relations displayed by, in particular, elliptical galaxies, but also for the observed properties of all virialized stellar systems, ranging from globular clusters to galaxy clusters.

  10. Disorder-Induced Order in Two-Component Bose-Einstein Condensates

    International Nuclear Information System (INIS)

    Niederberger, A.; Schulte, T.; Wehr, J.; Lewenstein, M.; Sanchez-Palencia, L.; Sacha, K.

    2008-01-01

    We propose and analyze a general mechanism of disorder-induced order in two-component Bose-Einstein condensates, analogous to corresponding effects established for XY spin models. We show that a random Raman coupling induces a relative phase of π/2 between the two BECs and that the effect is robust. We demonstrate it in one, two, and three dimensions at T=0 and present evidence that it persists at small T>0. Applications to phase control in ultracold spinor condensates are discussed

  11. An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation.

    Science.gov (United States)

    Ilias, Miroslav; Saue, Trond

    2007-02-14

    The authors report the implementation of a simple one-step method for obtaining an infinite-order two-component (IOTC) relativistic Hamiltonian using matrix algebra. They apply the IOTC Hamiltonian to calculations of excitation and ionization energies as well as electric and magnetic properties of the radon atom. The results are compared to corresponding calculations using identical basis sets and based on the four-component Dirac-Coulomb Hamiltonian as well as Douglas-Kroll-Hess and zeroth-order regular approximation Hamiltonians, all implemented in the DIRAC program package, thus allowing a comprehensive comparison of relativistic Hamiltonians within the finite basis approximation.

  12. Evaluation of solution stability for two-component polydisperse systems by small-angle scattering

    Science.gov (United States)

    Kryukova, A. E.; Konarev, P. V.; Volkov, V. V.

    2017-12-01

    The article is devoted to the modelling of small-angle scattering data using the program MIXTURE designed for the study of polydisperse multicomponent mixtures. In this work we present the results of solution stability studies for theoretical small-angle scattering data sets from two-component models. It was demonstrated that the addition of the noise to the data influences the stability range of the restored structural parameters. The recommendations for the optimal minimization schemes that permit to restore the volume size distributions for polydisperse systems are suggested.

  13. Simple waves in a two-component Bose-Einstein condensate

    Science.gov (United States)

    Ivanov, S. K.; Kamchatnov, A. M.

    2018-04-01

    We study the dynamics of so-called simple waves in a two-component Bose-Einstein condensate. The evolution of the condensate is described by Gross-Pitaevskii equations which can be reduced for these simple wave solutions to a system of ordinary differential equations which coincide with those derived by Ovsyannikov for the two-layer fluid dynamics. We solve the Ovsyannikov system for two typical situations of large and small difference between interspecies and intraspecies nonlinear interaction constants. Our analytic results are confirmed by numerical simulations.

  14. Two-component injection moulding simulation of ABS-POM micro structured surfaces

    DEFF Research Database (Denmark)

    Tosello, Guido; Hansen, Hans Nørgaard; Islam, Aminul

    2013-01-01

    Multi-component micro injection moulding (μIM) processes such as two-component (2k) μIM are the key technologies for the mass fabrication of multi-material micro products. 2k-μIM experiments involving a miniaturized test component with micro features in the sub-mm dimensional range and moulding...... a pair of thermoplastic materials (ABS and POM) were conducted. Three dimensional process simulations based on the finite element method have been performed to explore the capability of predicting filling pattern shape at component-level and surface micro feature-level in a polymer/polymer overmoulding...

  15. Three-wave interaction in two-component quadratic nonlinear lattices

    DEFF Research Database (Denmark)

    Konotop, V. V.; Cunha, M. D.; Christiansen, Peter Leth

    1999-01-01

    We investigate a two-component lattice with a quadratic nonlinearity and find with the multiple scale technique that integrable three-wave interaction takes place between plane wave solutions when these fulfill resonance conditions. We demonstrate that. energy conversion and pulse propagation known...... from three-wave interaction is reproduced in the lattice and that exact phase matching of parametric processes can be obtained in non-phase-matched lattices by tilting the interacting plane waves with respect to each other. [S1063-651X(99)15110-9]....

  16. Dynamics of a strongly driven two-component Bose-Einstein condensate

    International Nuclear Information System (INIS)

    Salmond, G.L.; Holmes, C.A.; Milburn, G.J.

    2002-01-01

    We consider a two-component Bose-Einstein condensate in two spatially localized modes of a double-well potential, with periodic modulation of the tunnel coupling between the two modes. We treat the driven quantum field using a two-mode expansion and define the quantum dynamics in terms of the Floquet Operator for the time periodic Hamiltonian of the system. It has been shown that the corresponding semiclassical mean-field dynamics can exhibit regions of regular and chaotic motion. We show here that the quantum dynamics can exhibit dynamical tunneling between regions of regular motion, centered on fixed points (resonances) of the semiclassical dynamics

  17. Morphology-tunable and photoresponsive properties in a self-assembled two-component gel system.

    Science.gov (United States)

    Zhou, Yifeng; Xu, Miao; Yi, Tao; Xiao, Shuzhang; Zhou, Zhiguo; Li, Fuyou; Huang, Chunhui

    2007-01-02

    Photoresponsive C3-symmetrical trisurea self-assembling building blocks containing three azobenzene groups (LC10 and LC4) at the rim were designed and synthesized. By introducing a trisamide gelator (G18), which can self-aggregate through hydrogen bonds of acylamino moieties to form a fibrous network, the mixture of LC10 (or LC4) and G18 forms an organogel with coral-like supramolecular structure from 1,4-dioxane. The cooperation of hydrogen bonding and the hydrophobic diversity between these components are the main contributions to the specific superstructure. The two-component gel exhibits reversible photoisomerization from trans to cis transition without breakage of the gel state.

  18. Stripes and honeycomb lattice of quantized vortices in rotating two-component Bose-Einstein condensates

    Science.gov (United States)

    Kasamatsu, Kenichi; Sakashita, Kouhei

    2018-05-01

    We study numerically the structure of a vortex lattice in rotating two-component Bose-Einstein condensates with equal atomic masses and equal intra- and intercomponent coupling strengths. The numerical simulations of the Gross-Pitaevskii equation show that the quantized vortices in this situation form lattice configuration accompanying vortex stripes, honeycomb lattices, and their complexes. This is a result of the degeneracy of the system for the SU(2) symmetric operation, which causes a continuous transformation between the above structures. In terms of the pseudospin representation, the complex lattice structures are identified as a hexagonal lattice of doubly winding half skyrmions.

  19. Two-Component Signal Transduction System SaeRS Positively Regulates Staphylococcus epidermidis Glucose Metabolism

    Directory of Open Access Journals (Sweden)

    Qiang Lou

    2014-01-01

    Full Text Available Staphylococcus epidermidis, which is a causative pathogen of nosocomial infection, expresses its virulent traits such as biofilm and autolysis regulated by two-component signal transduction system SaeRS. In this study, we performed a proteomic analysis of differences in expression between the S. epidermidis 1457 wild-type and saeRS mutant to identify candidates regulated by saeRS using two-dimensional gel electrophoresis (2-DE combined with matrix-assisted laser desorption/lonization mass spectrometry (MALDI-TOF-MS. Of 55 identified proteins that significantly differed in expression between the two strains, 15 were upregulated and 40 were downregulated. The downregulated proteins included enzymes related to glycolysis and TCA cycle, suggesting that glucose is not properly utilized in S. epidermidis when saeRS was deleted. The study will be helpful for treatment of S. epidermidis infection from the viewpoint of metabolic modulation dependent on two-component signal transduction system SaeRS.

  20. Rotation and toroidal magnetic field effects on the stability of two-component jets

    Science.gov (United States)

    Millas, Dimitrios; Keppens, Rony; Meliani, Zakaria

    2017-09-01

    Several observations of astrophysical jets show evidence of a structure in the direction perpendicular to the jet axis, leading to the development of 'spine and sheath' models of jets. Most studies focus on a two-component jet consisting of a highly relativistic inner jet and a slower - but still relativistic - outer jet surrounded by an unmagnetized environment. These jets are believed to be susceptible to a relativistic Rayleigh-Taylor-type instability, depending on the effective inertia ratio of the two components. We extend previous studies by taking into account the presence of a non-zero toroidal magnetic field. Different values of magnetization are examined to detect possible differences in the evolution and stability of the jet. We find that the toroidal field, above a certain level of magnetization σ, roughly equal to 0.01, can stabilize the jet against the previously mentioned instabilities and that there is a clear trend in the behaviour of the average Lorentz factor and the effective radius of the jet when we continuously increase the magnetization. The simulations are performed using the relativistic MHD module from the open source, parallel, grid adaptive, mpi-amrvac code.

  1. Analytical energy gradient for the two-component normalized elimination of the small component method

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Wenli; Filatov, Michael; Cremer, Dieter, E-mail: dcremer@smu.edu [Computational and Theoretical Chemistry Group (CATCO), Department of Chemistry, Southern Methodist University, 3215 Daniel Ave, Dallas, Texas 75275-0314 (United States)

    2015-06-07

    The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown that bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg{sub 2} and Cn{sub 2}, which are due to the admixture of more bonding character to the highest occupied spinors.

  2. Analytical energy gradient for the two-component normalized elimination of the small component method

    Science.gov (United States)

    Zou, Wenli; Filatov, Michael; Cremer, Dieter

    2015-06-01

    The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown that bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg2 and Cn2, which are due to the admixture of more bonding character to the highest occupied spinors.

  3. Two component WIMP-FImP dark matter model with singlet fermion, scalar and pseudo scalar

    Energy Technology Data Exchange (ETDEWEB)

    Dutta Banik, Amit; Pandey, Madhurima; Majumdar, Debasish [Saha Institute of Nuclear Physics, HBNI, Astroparticle Physics and Cosmology Division, Kolkata (India); Biswas, Anirban [Harish Chandra Research Institute, Allahabad (India)

    2017-10-15

    We explore a two component dark matter model with a fermion and a scalar. In this scenario the Standard Model (SM) is extended by a fermion, a scalar and an additional pseudo scalar. The fermionic component is assumed to have a global U(1){sub DM} and interacts with the pseudo scalar via Yukawa interaction while a Z{sub 2} symmetry is imposed on the other component - the scalar. These ensure the stability of both dark matter components. Although the Lagrangian of the present model is CP conserving, the CP symmetry breaks spontaneously when the pseudo scalar acquires a vacuum expectation value (VEV). The scalar component of the dark matter in the present model also develops a VEV on spontaneous breaking of the Z{sub 2} symmetry. Thus the various interactions of the dark sector and the SM sector occur through the mixing of the SM like Higgs boson, the pseudo scalar Higgs like boson and the singlet scalar boson. We show that the observed gamma ray excess from the Galactic Centre as well as the 3.55 keV X-ray line from Perseus, Andromeda etc. can be simultaneously explained in the present two component dark matter model and the dark matter self interaction is found to be an order of magnitude smaller than the upper limit estimated from the observational results. (orig.)

  4. Two-component vector solitons in defocusing Kerr-type media with spatially modulated nonlinearity

    Energy Technology Data Exchange (ETDEWEB)

    Zhong, Wei-Ping, E-mail: zhongwp6@126.com [Department of Electronic and Information Engineering, Shunde Polytechnic, Guangdong Province, Shunde 528300 (China); Texas A and M University at Qatar, P.O. Box 23874 Doha (Qatar); Belić, Milivoj [Texas A and M University at Qatar, P.O. Box 23874 Doha (Qatar); Institute of Physics, University of Belgrade, P.O. Box 57, 11001 Belgrade (Serbia)

    2014-12-15

    We present a class of exact solutions to the coupled (2+1)-dimensional nonlinear Schrödinger equation with spatially modulated nonlinearity and a special external potential, which describe the evolution of two-component vector solitons in defocusing Kerr-type media. We find a robust soliton solution, constructed with the help of Whittaker functions. For specific choices of the topological charge, the radial mode number and the modulation depth, the solitons may exist in various forms, such as the half-moon, necklace-ring, and sawtooth vortex-ring patterns. Our results show that the profile of such solitons can be effectively controlled by the topological charge, the radial mode number, and the modulation depth. - Highlights: • Two-component vector soliton clusters in defocusing Kerr-type media are reported. • These soliton clusters are constructed with the help of Whittaker functions. • The half-moon, necklace-ring and vortex-ring patterns are found. • The profile of these solitons can be effectively controlled by three soliton parameters.

  5. Numerical analysis of a non equilibrium two-component two-compressible flow in porous media

    KAUST Repository

    Saad, Bilal Mohammed

    2013-09-01

    We propose and analyze a finite volume scheme to simulate a non equilibrium two components (water and hydrogen) two phase flow (liquid and gas) model. In this model, the assumption of local mass non equilibrium is ensured and thus the velocity of the mass exchange between dissolved hydrogen and hydrogen in the gas phase is supposed finite. The proposed finite volume scheme is fully implicit in time together with a phase-by-phase upwind approach in space and it is discretize the equations in their general form with gravity and capillary terms We show that the proposed scheme satisfies the maximum principle for the saturation and the concentration of the dissolved hydrogen. We establish stability results on the velocity of each phase and on the discrete gradient of the concentration. We show the convergence of a subsequence to a weak solution of the continuous equations as the size of the discretization tends to zero. At our knowledge, this is the first convergence result of finite volume scheme in the case of two component two phase compressible flow in several space dimensions.

  6. Patient Autonomy for the Management of Chronic Conditions: A Two-Component Re-conceptualization

    Science.gov (United States)

    Naik, Aanand D.; Dyer, Carmel B.; Kunik, Mark E.; McCullough, Laurence B.

    2010-01-01

    The clinical application of the concept of patient autonomy has centered on the ability to deliberate and make treatment decisions (decisional autonomy) to the virtual exclusion of the capacity to execute the treatment plan (executive autonomy). However, the one-component concept of autonomy is problematic in the context of multiple chronic conditions. Adherence to complex treatments commonly breaks down when patients have functional, educational, and cognitive barriers that impair their capacity to plan, sequence, and carry out tasks associated with chronic care. The purpose of this article is to call for a two-component re-conceptualization of autonomy and to argue that the clinical assessment of capacity for patients with chronic conditions should be expanded to include both autonomous decision making and autonomous execution of the agreed-upon treatment plan. We explain how the concept of autonomy should be expanded to include both decisional and executive autonomy, describe the biopsychosocial correlates of the two-component concept of autonomy, and recommend diagnostic and treatment strategies to support patients with deficits in executive autonomy. PMID:19180389

  7. Shape-persistent two-component 2D networks with atomic-size tunability.

    Science.gov (United States)

    Liu, Jia; Zhang, Xu; Wang, Dong; Wang, Jie-Yu; Pei, Jian; Stang, Peter J; Wan, Li-Jun

    2011-09-05

    Over the past few years, two-dimensional (2D) nanoporous networks have attracted great interest as templates for the precise localization and confinement of guest building blocks, such as functional molecules or clusters on the solid surfaces. Herein, a series of two-component molecular networks with a 3-fold symmetry are constructed on graphite using a truxenone derivative and trimesic acid homologues with carboxylic-acid-terminated alkyl chains. The hydrogen-bonding partner-recognition-induced 2D crystallization of alkyl chains makes the flexible alkyl chains act as rigid spacers in the networks to continuously tune the pore size with an accuracy of one carbon atom per step. The two-component networks were found to accommodate and regulate the distribution and aggregation of guest molecules, such as COR and CuPc. This procedure provides a new pathway for the design and fabrication of molecular nanostructures on solid surfaces. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Method of estimating changes in vapor concentrations continuously generated from two-component organic solvents.

    Science.gov (United States)

    Hori, Hajime; Ishidao, Toru; Ishimatsu, Sumiyo

    2010-12-01

    We measured vapor concentrations continuously evaporated from two-component organic solvents in a reservoir and proposed a method to estimate and predict the evaporation rate or generated vapor concentrations. Two kinds of organic solvents were put into a small reservoir made of glass (3 cm in diameter and 3 cm high) that was installed in a cylindrical glass vessel (10 cm in diameter and 15 cm high). Air was introduced into the glass vessel at a flow rate of 150 ml/min, and the generated vapor concentrations were intermittently monitored for up to 5 hours with a gas chromatograph equipped with a flame ionization detector. The solvent systems tested in this study were the methanoltoluene system and the ethyl acetate-toluene system. The vapor concentrations of the more volatile component, that is, methanol in the methanol-toluene system and ethyl acetate in the ethyl acetate-toluene system, were high at first, and then decreased with time. On the other hand, the concentrations of the less volatile component were low at first, and then increased with time. A model for estimating multicomponent organic vapor concentrations was developed, based on a theory of vapor-liquid equilibria and a theory of the mass transfer rate, and estimated values were compared with experimental ones. The estimated vapor concentrations were in relatively good agreement with the experimental ones. The results suggest that changes in concentrations of two-component organic vapors continuously evaporating from a liquid reservoir can be estimated by the proposed model.

  9. Determination of two-dimensional correlation lengths in an anisotropic two-component flow

    International Nuclear Information System (INIS)

    Thomson, O.

    1994-05-01

    Former studies have shown that correlation methods can be used for determination of various two-component flow parameters, among these the correlation length. In cases where the flow can be described as a mixture, in which the minority component forms spatially limited perturbations within the majority component, this parameter gives a good indication of the maximum extension of these perturbations. In the former studies, spherical symmetry of the perturbations has been assumed, and the correlation length has been measured in the direction of the flow (axially) only. However, if the flow structure is anisotropic, the correlation length will be different in different directions. In the present study, the method has been developed further, allowing also measurements perpendicular to the flow direction (radially). The measurements were carried out using laser beams and the two-component flows consisted of either glass beads and air or air and water. In order to make local measurements of both the axial and radial correlation length simultaneously, it is necessary to use 3 laser beams and to form the triple cross-covariance. This lead to some unforeseen complications, due to the character of this function. The experimental results are generally positive and size determinations with an accuracy of better than 10% have been achieved in most cases. Less accurate results appeared only for difficult conditions (symmetrical signals), when 3 beams were used. 5 refs, 13 figs, 3 tabs

  10. Regularity for 3D Navier-Stokes equations in terms of two components of the vorticity

    Directory of Open Access Journals (Sweden)

    Sadek Gala

    2010-10-01

    Full Text Available We establish regularity conditions for the 3D Navier-Stokes equation via two components of the vorticity vector. It is known that if a Leray-Hopf weak solution $u$ satisfies $$ ilde{omega}in L^{2/(2-r}(0,T;L^{3/r}(mathbb{R}^3quad hbox{with }0two components of the vorticity, $omega =operatorname{curl}u$, then $u$ becomes the classical solution on $(0,T]$ (see [5]. We prove the regularity of Leray-Hopf weak solution $u$ under each of the following two (weaker conditions: $$displaylines{ ilde{omega}in L^{2/(2-r}(0,T;dot {mathcal{M}}_{2, 3/r}(mathbb{R}^3quad hbox{for }0

  11. Superfluid drag in the two-component Bose-Hubbard model

    Science.gov (United States)

    Sellin, Karl; Babaev, Egor

    2018-03-01

    In multicomponent superfluids and superconductors, co- and counterflows of components have, in general, different properties. A. F. Andreev and E. P. Bashkin [Sov. Phys. JETP 42, 164 (1975)] discussed, in the context of He3/He4 superfluid mixtures, that interparticle interactions produce a dissipationless drag. The drag can be understood as a superflow of one component induced by phase gradients of the other component. Importantly, the drag can be both positive (entrainment) and negative (counterflow). The effect is known to have crucial importance for many properties of diverse physical systems ranging from the dynamics of neutron stars and rotational responses of Bose mixtures of ultracold atoms to magnetic responses of multicomponent superconductors. Although substantial literature exists that includes the drag interaction phenomenologically, only a few regimes are covered by quantitative studies of the microscopic origin of the drag and its dependence on microscopic parameters. Here we study the microscopic origin and strength of the drag interaction in a quantum system of two-component bosons on a lattice with short-range interaction. By performing quantum Monte Carlo simulations of a two-component Bose-Hubbard model we obtain dependencies of the drag strength on the boson-boson interactions and properties of the optical lattice. Of particular interest are the strongly correlated regimes where the ratio of coflow and counterflow superfluid stiffnesses can diverge, corresponding to the case of saturated drag.

  12. Aromater i drikkevand

    DEFF Research Database (Denmark)

    Nyeland, B. A.; Hansen, A. B.

    DMU har den 10. Juni 1997 afholdt en præstationsprøvning: Aromater i drikkevand. Der deltog 21 laboratorier i præstationsprøvningen. Prøvningen omfattede 6 vandige prøver og 6 ampuller indeholdende 6 aromater. Laboratorierne spikede de tilsendte vandprøver med indholdet fra ampullerne...

  13. Two-component self-assembly with solvent leading to "wet" and microcrystalline organogel fibers.

    Science.gov (United States)

    Löfman, Miika; Lahtinen, Manu; Rissanen, Kari; Sievänen, Elina

    2015-01-15

    The microcrystalline fibers of N-(2-aminoethyl)-3α-hydroxy-5β-cholan-24-amide 1 provided a useful model system for studying the complex relationship between morphology, experimental parameters, solvent, and the phenomenon of organogelation. The presence of solvents in the solid forms of 1 along with crystallization behavior suggested solvate formation and polymorphic behavior. Forty solid state- and xerogel samples of 1 formed in organic solvents and in three categories of experimental conditions were analyzed with single crystal X-ray diffraction (XRD), powder X-ray diffraction (PXRD), Raman microscopy, and attenuated total reflection Fourier-transform infrared spectroscopy (ATR FTIR). Two polymorphs and four isostructural aromatic solvates of 1 were found among some unknown forms in the samples. Single crystal X-ray structures of one polymorph and bromobenzene solvate were obtained, the latter from a xerogel. Multiple crystal forms could be present in a sample, and their contributions to gelation were estimated taking the experimental conditions into account. Gelator 1 could act as a variable component gelator, either alone or in combination with an aromatic solvent. The research brings new insight into the structures of microcrystalline organogel fibers, linking solvate/inclusion crystal formation with microcrystalline fibers of an organogelator for the first time. Copyright © 2014 Elsevier Inc. All rights reserved.

  14. Linearmycins Activate a Two-Component Signaling System Involved in Bacterial Competition and Biofilm Morphology

    Science.gov (United States)

    2017-01-01

    ABSTRACT Bacteria use two-component signaling systems to adapt and respond to their competitors and changing environments. For instance, competitor bacteria may produce antibiotics and other bioactive metabolites and sequester nutrients. To survive, some species of bacteria escape competition through antibiotic production, biofilm formation, or motility. Specialized metabolite production and biofilm formation are relatively well understood for bacterial species in isolation. How bacteria control these functions when competitors are present is not well studied. To address fundamental questions relating to the competitive mechanisms of different species, we have developed a model system using two species of soil bacteria, Bacillus subtilis and Streptomyces sp. strain Mg1. Using this model, we previously found that linearmycins produced by Streptomyces sp. strain Mg1 cause lysis of B. subtilis cells and degradation of colony matrix. We identified strains of B. subtilis with mutations in the two-component signaling system yfiJK operon that confer dual phenotypes of specific linearmycin resistance and biofilm morphology. We determined that expression of the ATP-binding cassette (ABC) transporter yfiLMN operon, particularly yfiM and yfiN, is necessary for biofilm morphology. Using transposon mutagenesis, we identified genes that are required for YfiLMN-mediated biofilm morphology, including several chaperones. Using transcriptional fusions, we found that YfiJ signaling is activated by linearmycins and other polyene metabolites. Finally, using a truncated YfiJ, we show that YfiJ requires its transmembrane domain to activate downstream signaling. Taken together, these results suggest coordinated dual antibiotic resistance and biofilm morphology by a single multifunctional ABC transporter promotes competitive fitness of B. subtilis. IMPORTANCE DNA sequencing approaches have revealed hitherto unexplored diversity of bacterial species in a wide variety of environments that

  15. Measuring two-phase and two-component mixtures by radiometric technique

    International Nuclear Information System (INIS)

    Mackuliak, D.; Rajniak, I.

    1984-01-01

    The possibility was tried of the application of the radiometric method in measuring steam water content. The experiments were carried out in model conditions where steam was replaced with the two-component mixture of water and air. The beta radiation source was isotope 204 Tl (Esub(max)=0.765 MeV) with an activity of 19.35 MBq. Measurements were carried out within the range of the surface density of the mixture from 0.119 kg.m -2 to 0.130 kg.m -2 . Mixture speed was 5.1 m.s -1 to 7.1 m.s -1 . The observed dependence of relative pulse frequency on the specific water content in the mixture was approximated by a linear regression. (B.S.)

  16. [Regulation of sporulation by two-component system YvcPQ in Bacillus thuringiensis].

    Science.gov (United States)

    Fan, Qingyun; Zhang, Shumeng; Gong, Yujing; He, Jin

    2017-01-04

    To study the regulation of sporulation controlled by two-component system (TCS) YvcPQ. β-galactosidase experiment was used to verify the regulation of YvcP on kapD expression; bacterial one-hybrid assay, EMSA and RT-qPCR were applied to study the regulation of AbrB on yvcPQ expression; markerless gene deletion coupled with spore count was used to reveal the influence of yvcPQ and kapD expressions on sporulation. transcriptional regulator AbrB up-regulated the expression of yvcPQ; YvcP promoted the expression of kapD to inhibit sporulation. AbrB up-regulated the transcription of yvcPQ operon, then the increased YvcP strengthened the transcriptional acitivation of sporulation inhibitor gene kapD, and subsequently inhibited sporulation.

  17. Universal Properties of a Trapped Two-Component Fermi Gas at Unitarity

    International Nuclear Information System (INIS)

    Blume, D.; Stecher, J. von; Greene, Chris H.

    2007-01-01

    We treat the trapped two-component Fermi system, in which unlike fermions interact through a two-body short-range potential having no bound state but an infinite scattering length. By accurately solving the Schroedinger equation for up to N=6 fermions, we show that no many-body bound states exist other than those bound by the trapping potential, and we demonstrate unique universal properties of the system: Certain excitation frequencies are separated by 2(ℎ/2π)ω, the wave functions agree with analytical predictions and a virial theorem is fulfilled. Further calculations up to N=30 determine the excitation gap, an experimentally accessible universal quantity, and it agrees with recent predictions based on a density functional approach

  18. TWO-COMPONENT SYSTEM: A MOLECULAR DIALOGUE BETWEEN RUMINAL BACTERIA AND FEED PARTICLES (FORAGE PLANTS

    Directory of Open Access Journals (Sweden)

    Monica Marcela Galicia Jimenez

    2017-12-01

    Full Text Available The ability to adapt rapidly to changes in the environment is one of the main characteristics of the bacterial cell. The rumen is a highly dynamic environment, and none of the changes are permanent due to the various microbial species found in the rumen. Signal transduction networks are information processing pathways that recognize various physical and chemical stimuli, amplification, signal processing, and trigger responses of the bacterial cell. The aim of the present review is to show the importance of these two component systems in rumen bacteria, because it is based on the knowledge of the principles governing the bacterial population communication, its main interactions and products of metabolism, we can approach the manipulation of Ruminal fermentation to improve animal health, productivity and food safety.

  19. Phosphate sink containing two-component signaling systems as tunable threshold devices

    DEFF Research Database (Denmark)

    Amin, Munia; Kothamachu, Varun B; Feliu, Elisenda

    2014-01-01

    Synthetic biology aims to design de novo biological systems and reengineer existing ones. These efforts have mostly focused on transcriptional circuits, with reengineering of signaling circuits hampered by limited understanding of their systems dynamics and experimental challenges. Bacterial two......-component signaling systems offer a rich diversity of sensory systems that are built around a core phosphotransfer reaction between histidine kinases and their output response regulator proteins, and thus are a good target for reengineering through synthetic biology. Here, we explore the signal-response relationship...... rapid signal termination, whereby one of the RRs acts as a phosphate sink towards the other RR (i.e. the output RR), but also implements a sigmoidal signal-response relationship. We identify two mathematical conditions on system parameters that are necessary for sigmoidal signal-response relationships...

  20. Phase diagram of two-component bosons on an optical lattice

    International Nuclear Information System (INIS)

    Altman, Ehud; Hofstetter, Walter; Demler, Eugene; Lukin, Mikhail D

    2003-01-01

    We present a theoretical analysis of the phase diagram of two-component bosons on an optical lattice. A new formalism is developed which treats the effective spin interactions in the Mott and superfluid phases on the same footing. Using this new approach we chart the phase boundaries of the broken spin symmetry states up to the Mott to superfluid transition and beyond. Near the transition point, the magnitude of spin exchange can be very large, which facilitates the experimental realization of spin-ordered states. We find that spin and quantum fluctuations have a dramatic effect on the transition, making it first order in extended regions of the phase diagram. When each species is at integer filling, an additional phase transition may occur, from a spin-ordered insulator to a Mott insulator with no broken symmetries. We determine the phase boundaries in this regime and show that this is essentially a Mott transition in the spin sector

  1. Characterization of a two-component thermoluminescent albedo dosemeter according to ISO 21909

    Energy Technology Data Exchange (ETDEWEB)

    Martins, M.M., E-mail: marcelo@ird.gov.b [Instituto de Radioprotecao e Dosimetria (IRD/CNEN), Av. Salvador Allende s/n, CEP 22780-160, Rio de Janeiro, RJ (Brazil); Mauricio, C.L.P., E-mail: claudia@ird.gov.b [Instituto de Radioprotecao e Dosimetria (IRD/CNEN), Av. Salvador Allende s/n, CEP 22780-160, Rio de Janeiro, RJ (Brazil); Pereira, W.W., E-mail: walsan@ird.gov.b [Instituto de Radioprotecao e Dosimetria (IRD/CNEN), Av. Salvador Allende s/n, CEP 22780-160, Rio de Janeiro, RJ (Brazil); Silva, A.X. da, E-mail: ademir@con.ufrj.b [Coordenacao dos Programas de Pos-Graduacao em Engenharia, COPPE/PEN Caixa Postal 68509, CEP 21941-972, Rio de Janeiro, RJ (Brazil)

    2011-05-15

    A two-component thermoluminescent albedo neutron monitoring system was developed at Instituto de Radioprotecao e Dosimetria, Brazil. As there is no Brazilian regulation for neutron individual monitoring service, the system was tested according to the ISO 21909 standard. This standard provides performance and test requirements for determining the acceptability of personal neutron dosemeters to be used for the measurement of personal dose equivalent, H{sub p}(10), in neutron fields with energies ranging from thermal to 20 MeV. Up to 40 dosemeters were used in order to accomplish satisfactorily the requirements of some tests. Despite operational difficulties, this albedo system passed all ISO 21909 performance requirements. The results and problems throughout this characterization are discussed in this paper.

  2. Modulational instability for a self-attractive two-component Bose–Einstein condensate

    International Nuclear Information System (INIS)

    Sheng-Chang, Li; Wen-Shan, Duan

    2009-01-01

    By means of the multiple-scale expansion method, the coupled nonlinear Schrödinger equations without an explicit external potential are obtained in two-dimensional geometry for a self-attractive Bose–Einstein condensate composed of different hyperfine states. The modulational instability of two-component condensate is investigated by using a simple technique. Based on the discussion about two typical cases, the explicit expression of the growth rate for a purely growing modulational instability and the optimum stable conditions are given and analysed analytically. The results show that the modulational instability of this two-dimensional system is quite different from that in a one-dimensional system. (general)

  3. A two-component system regulates hemin acquisition in Porphyromonas gingivalis.

    Directory of Open Access Journals (Sweden)

    Jodie C Scott

    Full Text Available Porphyromonas gingivalis is a Gram-negative oral anaerobe associated with infection of the periodontia. The organism has a small number of two-component signal transduction systems, and after comparing genome sequences of strains W83 and ATCC 33277 we discovered that the latter was mutant in histidine kinase (PGN_0752, while the cognate response regulator (PGN_0753 remained intact. Microarray-based transcriptional profiling and ChIP-seq assays were carried out with an ATCC 33277 transconjugant containing the functional histidine kinase from strain W83 (PG0719. The data showed that the regulon of this signal transduction system contained genes that were involved in hemin acquisition, including gingipains, at least three transport systems, as well as being self-regulated. Direct regulation by the response regulator was confirmed by electrophoretic mobility shift assays. In addition, the system appears to be activated by hemin and the regulator acts as both an activator and repressor.

  4. Two-component air heating system. Final report. Zweikomponenten-Luftheizungs-System. Abschlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Radtke, W; Thiel, D

    1986-01-01

    The two-component heating system consists of a combination of air-based floor heating and direct air heating, with ventilation and extraction and heat recovery. The direct airflow consists exclusively of heated outside air, the amount corresponding to the building's external air intake requirement. The control system comprises a two-step sequential control of the air throughput of the direct air heating system and of the air distribution for the floor heating airflow. A special heating switch makes it possible to switch off the direct air heating system separately, and to select rapid warm-up. The way in which the new heating system works has been tested in a pilot set-up and proven by comprehensive measurements. In addition, a simulation model was produced which gave substantial confirmation of the measurements. (orig.) With 9 refs., 37 tabs., 63 figs.

  5. Plasma oscillations and sound waves in collision-dominated two-component plasmas

    International Nuclear Information System (INIS)

    Hansen, J.P.; Sjoegren, L.

    1982-01-01

    Charge, mass, and electron density fluctuation spectra of strongly correlated, fully ionized two-component plasmas within the framework of the Mori--Zwanzig memory function formalism are analyzed. All dynamical correlation functions are expressed in terms of the memory functions of the ion and electron velocity autocorrelation functions by a generalized effective field approximation which preserves the exact initial values (i.e., static correlations). The theory reduces correctly to the mean field (or collisionless Vlasov) results in the weak coupling limit, and yields charge density fluctuation spectra in good agreement with available computer simulation data, as well as reasonable estimates of the transport coefficients. The collisional damping and frequency shift of the plasma oscillation mode are sizeable, even in the long wavelength limit. The theory also predicts the propagation of well-defined sound waves in dense plasmas in thermal equilibrium

  6. A two component model describing nucleon structure functions in the low-x region

    Energy Technology Data Exchange (ETDEWEB)

    Bugaev, E.V. [Institute for Nuclear Research of the Russian Academy of Sciences, 7a, 60th October Anniversary prospect, Moscow 117312 (Russian Federation); Mangazeev, B.V. [Irkutsk State University, 1, Karl Marx Street, Irkutsk 664003 (Russian Federation)

    2009-12-15

    A two component model describing the electromagnetic nucleon structure functions in the low-x region, based on generalized vector dominance and color dipole approaches is briefly described. The model operates with the mesons of rho-family having the mass spectrum of the form m{sub n}{sup 2}=m{sub r}ho{sup 2}(1+2n) and takes into account the nondiagonal transitions in meson-nucleon scattering. The special cut-off factors are introduced in the model, to exclude the gamma-qq-bar-V transitions in the case of narrow qq-bar-pairs. For the color dipole part of the model the well known FKS-parameterization is used.

  7. Two-component mixture model: Application to palm oil and exchange rate

    Science.gov (United States)

    Phoong, Seuk-Yen; Ismail, Mohd Tahir; Hamzah, Firdaus Mohamad

    2014-12-01

    Palm oil is a seed crop which is widely adopt for food and non-food products such as cookie, vegetable oil, cosmetics, household products and others. Palm oil is majority growth in Malaysia and Indonesia. However, the demand for palm oil is getting growth and rapidly running out over the years. This phenomenal cause illegal logging of trees and destroy the natural habitat. Hence, the present paper investigates the relationship between exchange rate and palm oil price in Malaysia by using Maximum Likelihood Estimation via Newton-Raphson algorithm to fit a two components mixture model. Besides, this paper proposes a mixture of normal distribution to accommodate with asymmetry characteristics and platykurtic time series data.

  8. Level shift two-components autoregressive conditional heteroscedasticity modelling for WTI crude oil market

    Science.gov (United States)

    Sin, Kuek Jia; Cheong, Chin Wen; Hooi, Tan Siow

    2017-04-01

    This study aims to investigate the crude oil volatility using a two components autoregressive conditional heteroscedasticity (ARCH) model with the inclusion of abrupt jump feature. The model is able to capture abrupt jumps, news impact, clustering volatility, long persistence volatility and heavy-tailed distributed error which are commonly observed in the crude oil time series. For the empirical study, we have selected the WTI crude oil index from year 2000 to 2016. The results found that by including the multiple-abrupt jumps in ARCH model, there are significant improvements of estimation evaluations as compared with the standard ARCH models. The outcomes of this study can provide useful information for risk management and portfolio analysis in the crude oil markets.

  9. Functional assessment of EnvZ/OmpR two-component system in Shewanella oneidensis.

    Directory of Open Access Journals (Sweden)

    Jie Yuan

    Full Text Available EnvZ and OmpR constitute the bacterial two-component signal transduction system known to mediate osmotic stress response in a number of gram-negative bacteria. In an effort to understand the mechanism through which Shewanella oneidensis senses and responds to environmental osmolarity changes, structure of the ompR-envZ operon was determined with Northern blotting assay and roles of the EnvZ/OmpR two-component system in response to various stresses were investigated with mutational analysis, quantitative reverse transcriptase PCR (qRT-PCR, and phenotype microarrays. Results from the mutational analysis and qRT-PCR suggested that the EnvZ/OmpR system contributed to osmotic stress response of S. oneidensis and very likely engaged a similar strategy employed by E. coli, which involved reciprocal regulation of two major porin coding genes. Additionally, the ompR-envZ system was also found related to cell motility. We further showed that the ompR-envZ dependent regulation of porin genes and motility resided almost completely on ompR and only partially on envZ, indicating additional mechanisms for OmpR phosphorylation. In contrast to E. coli lacking ompR-envZ, however, growth of S. oneidensis did not show a significant dependence on ompR-envZ even under osmotic stress. Further analysis with phenotype microarrays revealed that the S. oneidensis strains lacking a complete ompR-envZ system displayed hypersensitivities to a number of agents, especially in alkaline environment. Taken together, our results suggest that the function of the ompR-envZ system in S. oneidensis, although still connected with osmoregulation, has diverged considerably from that of E. coli. Additional mechanism must exist to support growth of S. oneidensis under osmotic stress.

  10. Regulation of virulence by a two-component system in group B streptococcus.

    Science.gov (United States)

    Jiang, Sheng-Mei; Cieslewicz, Michael J; Kasper, Dennis L; Wessels, Michael R

    2005-02-01

    Group B Streptococcus (GBS) is frequently carried in the gastrointestinal or genitourinary tract as a commensal organism, yet it has the potential to cause life-threatening infection in newborn infants, pregnant women, and individuals with chronic illness. Regulation of virulence factor expression may affect whether GBS behaves as an asymptomatic colonizer or an invasive pathogen, but little is known about how such factors are controlled in GBS. We now report the characterization of a GBS locus that encodes a two-component regulatory system similar to CsrRS (or CovRS) in Streptococcus pyogenes. Inactivation of csrR, encoding the putative response regulator, in two unrelated wild-type strains of GBS resulted in a marked increase in production of beta-hemolysin/cytolysin and a striking decrease in production of CAMP factor, an unrelated cytolytic toxin. Quantitative RNA hybridization experiments revealed that these two phenotypes were associated with a marked increase and decrease in expression of the corresponding genes, cylE and cfb, respectively. The CsrR mutant strains also displayed increased expression of scpB encoding C5a peptidase. Similar, but less marked, changes in gene expression were observed in CsrS (putative sensor component) mutants, evidence that CsrR and CsrS constitute a functional two-component system. Experimental infection studies in mice demonstrated reduced virulence of both CsrR and CsrS mutant strains relative to the wild type. Together, these results indicate that CsrRS regulates expression of multiple GBS virulence determinants and is likely to play an important role in GBS pathogenesis.

  11. Nonlinear light scattering in a two component medium: optical limiting application

    International Nuclear Information System (INIS)

    Joudrier, Valerie

    1998-01-01

    Scattering is a fundamental manifestation of the interaction between matter and radiation, resulting from inhomogeneities in the refractive index, which decrease transmission. This phenomenon is then especially attractive for sensor protection from laser light by optical limiting. One of the methods to induce scattering at high incident energy is to make use of the Kerr effect where the index of refraction is intensity dependent. Thus, the idea is to use a two component medium with a good index matching between the two components at low intensity, resulting in the medium transparency, and to modify it, at high intensity, due to the non linearity of one component making the medium highly scattering. Some of the experimental and theoretical investigations concerning a new material (here, a cell containing some liquid with small silica particles as inclusion in it) are presented in the visible domain (I=532 nm), for the nanosecond protection regime, beginning, with the chemical synthesis of the sample. The experimental results concerning the optical limiting process are presented, showing that nonlinear scattering is clearly the dominant mechanism in confrontation with other potential nonlinear effects. Several complementary experiments are then performed to complete the nonlinear scattering characterization, involving the measurement of the angular distribution of scattered energy and the integrating sphere measurement. Further information are also gained by studying the time response of the nonlinearities with a dual-beam (pulsed-pump, cw probe) technique. The previous experimental data is also analyzed with some simple theoretical models to evaluate the nonlinearity of the material from optical limiting, the angular scattering and the total scattering energy measurements. The good match between all the analytical results permits to delineate the physical mechanisms responsible for the nonlinear scattering effect and to direct the final conclusion. (author) [fr

  12. Structural Basis for DNA Recognition by the Two-Component Response Regulator RcsB.

    Science.gov (United States)

    Filippova, Ekaterina V; Zemaitaitis, Bozena; Aung, Theint; Wolfe, Alan J; Anderson, Wayne F

    2018-02-27

    RcsB is a highly conserved transcription regulator of the Rcs phosphorelay system, a complex two-component signal transduction system (N. Majdalani and S. Gottesman, Annu Rev Microbiol 59:379-405, 2005; A. J. Wolfe, Curr Opin Microbiol 13:204-209, 2010, https://doi.org/10.1016/j.mib.2010.01.002; D. J. Clarke, Future Microbiol 5:1173-1184, 2010, https://doi.org/10.2217/fmb.10.83). RcsB plays an important role in virulence and pathogenicity in human hosts by regulating biofilm formation. RcsB can regulate transcription alone or together with its auxiliary transcription regulators by forming heterodimers. This complexity allows RcsB to regulate transcription of more than 600 bacterial genes in response to different stresses (D. Wang et al., Mol Plant Microbe Interact 25:6-17, 2012, https://doi.org/10.1094/MPMI-08-11-0207). Despite increasing knowledge of RcsB importance, molecular mechanisms that drive the ability of RcsB to control transcription of a large number of genes remain unclear. Here, we present crystal structures of unphosphorylated RcsB in complex with the consensus DNA-binding sequence of 22-mer (DNA22) and 18-mer (DNA18) of the flhDC operon from Escherichia coli determined at 3.15- and 3.37-Å resolution, respectively. The results of our structural analysis combined with the results of in vitro binding assays provide valuable insights to the protein regulatory mechanism, demonstrate how RcsB recognizes target DNA sequences, and reveal a unique oligomeric state that allows RcsB to form homo- and heterodimers. This information will help us understand the complex mechanisms of transcriptional regulation by RcsB in bacteria. IMPORTANCE RcsB is a well-studied two-component response regulator of the Rcs phosphorelay system, conserved within the family Enterobacteriaceae , which includes many pathogens. It is a global regulator, controlling more than 5% of bacterial genes associated with capsule biosynthesis, flagellar biogenesis, cell wall biosynthesis

  13. Counterbalancing Regulation in Response Memory of a Positively Autoregulated Two-Component System.

    Science.gov (United States)

    Gao, Rong; Godfrey, Katherine A; Sufian, Mahir A; Stock, Ann M

    2017-09-15

    Fluctuations in nutrient availability often result in recurrent exposures to the same stimulus conditions. The ability to memorize the past event and use the "memory" to make adjustments to current behaviors can lead to a more efficient adaptation to the recurring stimulus. A short-term phenotypic memory can be conferred via carryover of the response proteins to facilitate the recurrent response, but the additional accumulation of response proteins can lead to a deviation from response homeostasis. We used the Escherichia coli PhoB/PhoR two-component system (TCS) as a model system to study how cells cope with the recurrence of environmental phosphate (Pi) starvation conditions. We discovered that "memory" of prior Pi starvation can exert distinct effects through two regulatory pathways, the TCS signaling pathway and the stress response pathway. Although carryover of TCS proteins can lead to higher initial levels of transcription factor PhoB and a faster initial response in prestarved cells than in cells not starved, the response enhancement can be overcome by an earlier and greater repression of promoter activity in prestarved cells due to the memory of the stress response. The repression counterbalances the carryover of the response proteins, leading to a homeostatic response whether or not cells are prestimulated. A computational model based on sigma factor competition was developed to understand the memory of stress response and to predict the homeostasis of other PhoB-regulated response proteins. Our insight into the history-dependent PhoBR response may provide a general understanding of how TCSs respond to recurring stimuli and adapt to fluctuating environmental conditions. IMPORTANCE Bacterial cells in their natural environments experience scenarios that are far more complex than are typically replicated in laboratory experiments. The architectures of signaling systems and the integration of multiple adaptive pathways have evolved to deal with such complexity

  14. Counterbalancing Regulation in Response Memory of a Positively Autoregulated Two-Component System

    Science.gov (United States)

    Gao, Rong; Godfrey, Katherine A.; Sufian, Mahir A.

    2017-01-01

    ABSTRACT Fluctuations in nutrient availability often result in recurrent exposures to the same stimulus conditions. The ability to memorize the past event and use the “memory” to make adjustments to current behaviors can lead to a more efficient adaptation to the recurring stimulus. A short-term phenotypic memory can be conferred via carryover of the response proteins to facilitate the recurrent response, but the additional accumulation of response proteins can lead to a deviation from response homeostasis. We used the Escherichia coli PhoB/PhoR two-component system (TCS) as a model system to study how cells cope with the recurrence of environmental phosphate (Pi) starvation conditions. We discovered that “memory” of prior Pi starvation can exert distinct effects through two regulatory pathways, the TCS signaling pathway and the stress response pathway. Although carryover of TCS proteins can lead to higher initial levels of transcription factor PhoB and a faster initial response in prestarved cells than in cells not starved, the response enhancement can be overcome by an earlier and greater repression of promoter activity in prestarved cells due to the memory of the stress response. The repression counterbalances the carryover of the response proteins, leading to a homeostatic response whether or not cells are prestimulated. A computational model based on sigma factor competition was developed to understand the memory of stress response and to predict the homeostasis of other PhoB-regulated response proteins. Our insight into the history-dependent PhoBR response may provide a general understanding of how TCSs respond to recurring stimuli and adapt to fluctuating environmental conditions. IMPORTANCE Bacterial cells in their natural environments experience scenarios that are far more complex than are typically replicated in laboratory experiments. The architectures of signaling systems and the integration of multiple adaptive pathways have evolved to deal

  15. Identification by irradiation, in vitro, of two components of erythroprotein action

    International Nuclear Information System (INIS)

    Barcos, M.

    1978-01-01

    The effect of ionizing radiation on the response of normal cultured rat marrow cells to erythropoietin yielded two-component inactivation curves for induced iron uptake and hemoglobin synthesis. The radioresistant component of the induced hemoglobin response (1) was detected earlier, at 6 to 20 hr after irradiation, (2) had a DO 0 > or = to 900 R, (3) gave a nonlinear erythropoietin dose--response plot at 600 R, (4) disappeared when marrow from erythremic rats was used, and (5) showed maximal inactivation by 500 R when irradiation preceded hormone addition by 1.5 to 2.5 hr. The radiosensitive component (1) was observed without any contribution from the radioresistant component when the time of assay of normal marrow was postponed from 6 to 20 hr to 20 to 44 hr of culture, (2) had a D 0 = 63 R, (3) gave linear erythropoietin dose--response curves at 15 to 60 R, and (4) showed enhanced inhibition by 60 R if irradiation either preceded or followed hormone addition by 3 hr or more

  16. Modified Baryonic Dynamics: two-component cosmological simulations with light sterile neutrinos

    Energy Technology Data Exchange (ETDEWEB)

    Angus, G.W.; Gentile, G. [Department of Physics and Astrophysics, Vrije Universiteit Brussel, Pleinlaan 2, Brussels, 1050 Belgium (Belgium); Diaferio, A. [Dipartimento di Fisica, Università di Torino, Via P. Giuria 1, Torino, I-10125 Italy (Italy); Famaey, B. [Observatoire astronomique de Strasbourg, CNRS UMR 7550, Université de Strasbourg, 11 rue de l' Université, Strasbourg, F-67000 France (France); Heyden, K.J. van der, E-mail: garry.angus@vub.ac.be, E-mail: diaferio@ph.unito.it, E-mail: benoit.famaey@astro.unistra.fr, E-mail: gianfranco.gentile@ugent.be, E-mail: heyden@ast.uct.ac.za [Astrophysics, Cosmology and Gravity Centre, Dept. of Astronomy, University of Cape Town, Private Bag X3, Rondebosch, 7701 South Africa (South Africa)

    2014-10-01

    In this article we continue to test cosmological models centred on Modified Newtonian Dynamics (MOND) with light sterile neutrinos, which could in principle be a way to solve the fine-tuning problems of the standard model on galaxy scales while preserving successful predictions on larger scales. Due to previous failures of the simple MOND cosmological model, here we test a speculative model where the modified gravitational field is produced only by the baryons and the sterile neutrinos produce a purely Newtonian field (hence Modified Baryonic Dynamics). We use two-component cosmological simulations to separate the baryonic N-body particles from the sterile neutrino ones. The premise is to attenuate the over-production of massive galaxy cluster halos which were prevalent in the original MOND plus light sterile neutrinos scenario. Theoretical issues with such a formulation notwithstanding, the Modified Baryonic Dynamics model fails to produce the correct amplitude for the galaxy cluster mass function for any reasonable value of the primordial power spectrum normalisation.

  17. Quantum characteristics of occurrence scattering time in two-component non-ideal plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Woo-Pyo [Department of Electronics Engineering, Catholic University of Daegu, Hayang, 712-702 (Korea, Republic of); Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr [Department of Applied Physics and Department of Bionanotechnology, Hanyang University, Ansan, Kyunggi-Do 15588 (Korea, Republic of); Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 8th Street, Troy, NY 12180-3590 (United States)

    2015-10-30

    The quantum diffraction and plasma screening effects on the occurrence time for the collision process are investigated in two-component non-ideal plasmas. The micropotential model taking into account the quantum diffraction and screening with the eikonal analysis is employed to derive the occurrence time as functions of the collision energy, density parameter, Debye length, de Broglie wavelength, and scattering angle. It is shown that the occurrence time for forward scattering directions decreases the tendency of time-advance with increasing scattering angle and de Broglie wavelength. However, it is found that the occurrence time shows the oscillatory time-advance and time-retarded behaviors with increasing scattering angle. It is found that the plasma screening effect enhances the tendency of time-advance on the occurrence time for forward scattering regions. It is also shown the quantum diffraction effect suppresses the occurrence time advance for forward scattering angles. In addition, it is shown that the occurrence time advance decreases with an increase of the collision energy. - Highlights: • The quantum diffraction and screening effects on the occurrence scattering time are investigated in non-ideal plasmas. • It is shown the quantum diffraction effect suppresses the occurrence time advance for forward scattering angles. • It is found that the plasma screening effect enhances the tendency of time-advance on the occurrence time.

  18. Determination of the number of and classification of two-component ionic-covalent chemical compounds

    International Nuclear Information System (INIS)

    Vigdorovich, V.N.; Dzhuraev, T.D.; Khanin, V.A.

    1989-01-01

    The aim of this work was to determine the number of and to classify two-component compounds corresponding to the four-electron and full-valence concepts and characterized by the ionic-covalent type of bond, on which the metallic bond is superimposed to a greater lesser degree. At the same time it was proposed to verify the position of the axes in the periodic system. The presence of numerous compound analogs for the element prototypes of one axis of the Mendeleev periodic system [the group of noble (inert) gases] was confirmed by computer experiments. However, the other axis (the carbon group) is not so obvious and is evidently due, on account of the superimposition of the effect of noncharacteristic (possible) valences, to the elements of various groups (boron, aluminum, germanium, antimony, bismuth). In addition, the compound analogs for the element prototypes of the d block are numerous, i.e., the copper-silver-gold, manganese-technetium-rhenium, and iron and platinum families

  19. ACOUSTIC WAVES EMISSION IN THE TWO-COMPONENT HEREDITARY-ELASTIC MEDIUM

    Directory of Open Access Journals (Sweden)

    V. S. Polenov

    2014-01-01

    Full Text Available Summary. On the dynamics of two-component media a number of papers, which address the elastic waves in a homogeneous, unbounded fluid-saturated porous medium. In other studies address issues of dissipative processes in harmonic deformation hereditary elastic medium. In the article the dissipative processes of the viscoelastic porous medium, which hereditary properties are described by the core relaxation fractional exponential function U.N. Rabotnova integro-differential Boltzmann-Volterr ratio, harmonic deformation by the straining saturated incompressible liquid are investigated. Speed of wave propagation, absorption coefficient, mechanical loss tangent, logarithmic decrement, depending on fractional parameter γ, determining formulas received. The frequency logarithm and temperature graph dependences with the goal fractional parameter are constructed. Shows the dependences velocity and attenuation coefficient of the tangent of the phase angle of the logarithm of the temperature, and the dependence of the attenuation coefficient of the logarithm of the frequency. Dependencies the speed and the tangent of the phase angle of the frequency identical function of the logarithm of temperature.

  20. Temporal evolution of photon energy emitted from two-component advective flows: origin of time lag

    Science.gov (United States)

    Chatterjee, Arka; Chakrabarti, Sandip K.; Ghosh, Himadri

    2017-12-01

    X-ray time lag of black hole candidates contains important information regarding the emission geometry. Recently, study of time lags from observational data revealed very intriguing properties. To investigate the real cause of this lag behavior with energy and spectral states, we study photon paths inside a two-component advective flow (TCAF) which appears to be a satisfactory model to explain the spectral and timing properties. We employ the Monte Carlo simulation technique to carry out the Comptonization process. We use a relativistic thick disk in Schwarzschild geometry as the CENtrifugal pressure supported BOundary Layer (CENBOL) which is the Compton cloud. In TCAF, this is the post-shock region of the advective component. Keplerian disk on the equatorial plane which is truncated at the inner edge i.e. at the outer boundary of the CENBOL, acts as the soft photon source. Ray-tracing code is employed to track the photons to a distantly located observer. We compute the cumulative time taken by a photon during Comptonization, reflection and following the curved geometry on the way to the observer. Time lags between various hard and soft bands have been calculated. We study the variation of time lags with accretion rates, CENBOL size and inclination angle. Time lags for different energy channels are plotted for different inclination angles. The general trend of variation of time lag with QPO frequency and energy as observed in satellite data is reproduced.

  1. A two component system is involved in acid adaptation of Lactobacillus delbrueckii subsp. bulgaricus.

    Science.gov (United States)

    Cui, Yanhua; Liu, Wei; Qu, Xiaojun; Chen, Zhangting; Zhang, Xu; Liu, Tong; Zhang, Lanwei

    2012-05-20

    The Gram-positive bacterium Lactobacillus delbrueckii subsp. bulgaricus is of vital importance to the food industry, especially to the dairy industry. Two component systems (TCSs) are one of the most important mechanisms for environmental sensing and signal transduction in the majority of Gram-positive and Gram-negative bacteria. A typical TCS consists of a histidine protein kinase (HPK) and a cytoplasmic response regulator (RR). To investigate the functions of TCSs during acid adaptation in L. bulgaricus, we used quantitative PCR to reveal how TCSs expression changes during acid adaptation. Two TCSs (JN675228/JN675229 and JN675230/JN675231) and two HPKs (JN675236 and JN675240) were induced during acid adaptation. These TCSs were speculated to be related with the acid adaptation ability of L. bulgaricus. The mutants of JN675228/JN675229 were constructed in order to investigate the functions of JN675228/JN675229. The mutants showed reduced acid adaptation compared to that of wild type, and the complemented strains were similar to the wild-type strain. These observations suggested that JN675228 and JN675229 were involved in acid adaptation in L. bulgaricus. The interaction between JN675228 and JN675229 was identified by means of yeast two-hybrid system. The results indicated there is interaction between JN675228 and JN675229. Crown Copyright © 2011. Published by Elsevier GmbH. All rights reserved.

  2. The Evolution of Two-Component Systems in Bacteria RevealsDifferent Strategies for Niche Adaptation

    Energy Technology Data Exchange (ETDEWEB)

    Alm, Eric; Huang, Katherine; Arkin, Adam

    2006-09-13

    Two-component systems including histidine protein kinasesrepresent the primary signal transduction paradigm in prokaryoticorganisms. To understand how these systems adapt to allow organisms todetect niche-specific signals, we analyzed the phylogenetic distributionof nearly 5000 histidine protein kinases from 207 sequenced prokaryoticgenomes. We found that many genomes carry a large repertoire of recentlyevolved signaling genes, which may reflect selective pressure to adapt tonew environmental conditions. Both lineage-specific gene family expansionand horizontal gene transfer play major roles in the introduction of newhistidine kinases into genomes; however, there are differences in howthese two evolutionary forces act. Genes imported via horizontal transferare more likely to retain their original functionality as inferred from asimilar complement of signaling domains, while gene family expansionaccompanied by domain shuffling appears to be a major source of novelgenetic diversity. Family expansion is the dominantsource of newhistidine kinase genes in the genomes most enriched in signalingproteins, and detailed analysis reveals that divergence in domainstructure and changes in expression patterns are hallmarks of recentexpansions. Finally, while these two modes of gene acquisition arewidespread across bacterial taxa, there are clear species-specificpreferences for which mode is used.

  3. PLA and two components silicon rubber blends aiming for frozen foods packaging applications

    Directory of Open Access Journals (Sweden)

    Utai Meekum

    2018-03-01

    Full Text Available Designing of PLA and two components silicone rubber blends was studies. Frozen food packaging application is the main ultimate aim. The statistical method using 23 DOE was conducted. The standard testing methods, in particular impact testing at sub-zero temperature, were performed. The preliminary blend formula comprised 1.0 phr of silane and polyester polyols, respectively, was initially resolved. Then, the optimize the silicone portion in the blends was determined. Blending formula using 8.0 phr of silicone with respect to PLA matrix gave rise to the overall satisfactory properties. 3. TETA was used as the silicone curing agent and reactively blended onto the ingredients. TETA at 0.4 phr, with respect to the silicone, enhanced the mechanical properties, especially flexibility and toughness, of the PLA/silicone blend. Exceeding the optimal TETA loading would cause the chain scission and also the dilution effects. Hence, marginal inferior properties of the blends were be experienced. The preliminary biodegradability investigation found that the PLA/silicone blend initially triggered at the second week. Its degradation rate was likely to be faster than neat PLA. Keywords: PLA/silicone blends, Mechanical properties, Sub-zero impact strength

  4. Two-component regulators involved in the global control of virulence in Erwinia carotovora subsp. carotovora.

    Science.gov (United States)

    Eriksson, A R; Andersson, R A; Pirhonen, M; Palva, E T

    1998-08-01

    Production of extracellular, plant cell wall degrading enzymes, the main virulence determinants of the plant pathogen Erwinia carotovora subsp. carotovora, is coordinately controlled by a complex regulatory network. Insertion mutants in the exp (extracellular enzyme production) loci exhibit pleiotropic defects in virulence and the growth-phase-dependent transcriptional activation of genes encoding extracellular enzymes. Two new exp mutations, designated expA and expS, were characterized. Introduction of the corresponding wild-type alleles to the mutants complemented both the lack of virulence and the impaired production of plant cell wall degrading enzymes. The expA gene was shown to encode a 24-kDa polypeptide that is structurally and functionally related to the uvrY gene product of Escherichia coli and the GacA response regulator of Pseudomonas fluorescens. Functional similarity of expA and uvrY was demonstrated by genetic complementation. The expA gene is organized in an operon together with a uvrC-like gene, identical to the organization of uvrY and uvrC in E. coli. The unlinked expS gene encodes a putative sensor kinase that shows 92% identity to the recently described rpfA gene product from another E. carotovora subsp. carotovora strain. Our data suggest that ExpS and ExpA are members of two-component sensor kinase and response regulator families, respectively. These two proteins might interact in controlling virulence gene expression in E. carotovora subsp. carotovora.

  5. An inverse spectral problem related to the Geng-Xue two-component peakon equation

    CERN Document Server

    Lundmark, Hans

    2016-01-01

    The authors solve a spectral and an inverse spectral problem arising in the computation of peakon solutions to the two-component PDE derived by Geng and Xue as a generalization of the Novikov and Degasperisâe"Procesi equations. Like the spectral problems for those equations, this one is of a âeoediscrete cubic stringâe typeâe"a nonselfadjoint generalization of a classical inhomogeneous stringâe"but presents some interesting novel features: there are two Lax pairs, both of which contribute to the correct complete spectral data, and the solution to the inverse problem can be expressed using quantities related to Cauchy biorthogonal polynomials with two different spectral measures. The latter extends the range of previous applications of Cauchy biorthogonal polynomials to peakons, which featured either two identical, or two closely related, measures. The method used to solve the spectral problem hinges on the hidden presence of oscillatory kernels of Gantmacherâe"Krein type, implying that the spectrum of...

  6. Isomerization and dissociation in competition: the two-component dissociation rates of methyl acetate ions

    Science.gov (United States)

    Mazyar, Oleg A.; Mayer, Paul M.; Baer, Tomas

    1997-11-01

    Threshold photoelectron-photoion coincidence (TPEPICO) spectroscopy has been used to investigate the unimolecular chemistry of metastable methyl acetate ions, CH3COOCH3.+. The rate of molecular ion fragmentation with the loss of CH3O. and CH2OH radicals as a function of ion internal energy was obtained from the coincidence data and used in conjunction with Rice-Ramsperger-Kassel-Markus and ab initio molecular orbital calculations to model the dissociation/isomerization mechanism of the methyl acetate ion (A). The data were found to be consistent with the mechanism involving a hydrogen-bridged complex CH3CO[middle dot][middle dot][middle dot]H[middle dot][middle dot][middle dot]OCH2.+(E) as the direct precursor of the observed fragments CH3CO+ and CH2OH.. The two-component decay rates were modeled with a three-well-two-product potential energy surface including the distonic ion CH3C(OH)OCH2.+(B) and enol isomer CH2C(OH)OCH3.+(C), which are formed from the methyl acetate ion by two consecutive [1,4]-hydrogen shifts. The 0 K heats of formation of isomers B and C as well as transition states TSAB, TSBC, and TSBE (relative to isomer A) were calculated from Rice-Ramsperger-Kassel-Markus (RRKM) theory.

  7. Images and Spectra of Time Dependent Two Component Advective Flow in Presence of Outflows

    Science.gov (United States)

    Chatterjee, Arka; Chakrabarti, Sandip K.; Ghosh, Himadri; Garain, Sudip K.

    2018-05-01

    Two Component Advective Flow (TCAF) successfully explains the spectral and temporal properties of outbursting or persistent sources. Images of static TCAF with Compton cloud or CENtrifugal pressure supported Boundary Layer (CENBOL) due to gravitational bending of photons have been studied before. In this paper, we study time dependent images of advective flows around a Schwarzschild black hole which include cooling effects due to Comptonization of soft photons from a Keplerian disks well as the self-consistently produced jets and outflows. We show the overall image of the disk-jet system after convolving with a typical beamwidth. A long exposure image with time dependent system need not show the black hole horizon conspicuously, unless one is looking at a soft state with no jet or the system along the jet axis. Assuming these disk-jet configurations are relevant to radio emitting systems also, our results would be useful to look for event horizons in high accretion rate Supermassive Black Holes in Seyfert galaxies, RL Quasars.

  8. A two-component regulatory system controls autoregulated serpin expression in Bifidobacterium breve UCC2003.

    Science.gov (United States)

    Alvarez-Martin, Pablo; O'Connell Motherway, Mary; Turroni, Francesca; Foroni, Elena; Ventura, Marco; van Sinderen, Douwe

    2012-10-01

    This work reports on the identification and molecular characterization of a two-component regulatory system (2CRS), encoded by serRK, which is believed to control the expression of the ser(2003) locus in Bifidobacterium breve UCC2003. The ser(2003) locus consists of two genes, Bbr_1319 (sagA) and Bbr_1320 (serU), which are predicted to encode a hypothetical membrane-associated protein and a serpin-like protein, respectively. The response regulator SerR was shown to bind to the promoter region of ser(2003), and the probable recognition sequence of SerR was determined by a combinatorial approach of in vitro site-directed mutagenesis coupled to transcriptional fusion and electrophoretic mobility shift assays (EMSAs). The importance of the serRK 2CRS in the response of B. breve to protease-mediated induction was confirmed by generating a B. breve serR insertion mutant, which was shown to exhibit altered ser(2003) transcriptional induction patterns compared to the parent strain, UCC2003. Interestingly, the analysis of a B. breve serU mutant revealed that the SerRK signaling pathway appears to include a SerU-dependent autoregulatory loop.

  9. Two-component mixture cure rate model with spline estimated nonparametric components.

    Science.gov (United States)

    Wang, Lu; Du, Pang; Liang, Hua

    2012-09-01

    In some survival analysis of medical studies, there are often long-term survivors who can be considered as permanently cured. The goals in these studies are to estimate the noncured probability of the whole population and the hazard rate of the susceptible subpopulation. When covariates are present as often happens in practice, to understand covariate effects on the noncured probability and hazard rate is of equal importance. The existing methods are limited to parametric and semiparametric models. We propose a two-component mixture cure rate model with nonparametric forms for both the cure probability and the hazard rate function. Identifiability of the model is guaranteed by an additive assumption that allows no time-covariate interactions in the logarithm of hazard rate. Estimation is carried out by an expectation-maximization algorithm on maximizing a penalized likelihood. For inferential purpose, we apply the Louis formula to obtain point-wise confidence intervals for noncured probability and hazard rate. Asymptotic convergence rates of our function estimates are established. We then evaluate the proposed method by extensive simulations. We analyze the survival data from a melanoma study and find interesting patterns for this study. © 2011, The International Biometric Society.

  10. Development and characterization of two-component albedo based neutron individual monitoring system using thermoluminescent detectors

    International Nuclear Information System (INIS)

    Martins, Marcelo Marques

    2008-01-01

    A TLD-albedo based two-component neutron individual monitoring system was developed and characterized in this work. The monitor consists of a black plastic holder, an incident neutron boron loaded shield, a moderator polyethylene body (to increase its response), two pairs of TLD-600 and TLD-700 (one pair to each component) and an adjustable belt. This monitoring system was calibrated in thermal neutron fields and in 70 keV, 144 keV, 565 keV, 1.2 MeV and 5 MeV monoenergetic neutron fields. In addition, it was calibrated in 252C f(D 2 O), 252 Cf, 241 Am-B, 241 Am-Be and 238 Pu-Be source fields. For the latter, the lower detection levels are, respectively, 0.009 mSv, 0.06 mSv, 0.12 mSv, 0.09 mSv and 0.08 mSv. The participation in an international intercomparison sponsored by IAEA with simulated workplace fields validated the system. The monitoring system was successfully characterized in the ISO 21909 standard and in an IRD - the Brazilian Institute for Radioprotection and Dosimetry - technical regulation draft. Nowadays, the neutron individual system is in use by IRD for whole body individual monitoring of five institutions, which comprehend several activities. (author)

  11. Short and medium range order in two-component silica glasses by positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Inoue, K.; Kataoka, H.; Nagai, Y.; Hasegawa, M.; Kobayashi, Y.

    2014-01-01

    The dependence of chemical composition on the average sizes of subnanometer-scale intrinsic structural open spaces surrounded by glass random networks in two-component silica-based glasses was investigated systematically using positronium (Ps) confined in the open spaces. The average sizes of the open spaces for SiO 2 -B 2 O 3 and SiO 2 -GeO 2 glasses are only slightly dependent on the chemical compositions because the B 2 O 3 and GeO 2 are glass network formers that are incorporated into the glass network of the base SiO 2 . However, the open space sizes for all SiO 2 -R 2 O (R = Li, Na, K) glasses, where R 2 O is a glass network modifier that occupies the open spaces, decrease rapidly with an increase in the R 2 O concentration. Despite the large difference in the ionic radii of the alkali metal (R) atoms, the open space sizes decrease similarly for all the alkali metal atoms studied. This dependence of the chemical composition on the open space sizes in SiO 2 -R 2 O observed by Ps shows that the alkali metal atoms do not randomly occupy the structural open spaces, but filling of the open spaces by R 2 O proceeds selectively from the larger to the smaller open spaces as the R 2 O concentrations are increased.

  12. Adaptation to Environmental Stimuli within the Host: Two-Component Signal Transduction Systems of Mycobacterium tuberculosis

    Science.gov (United States)

    Bretl, Daniel J.; Demetriadou, Chrystalla; Zahrt, Thomas C.

    2011-01-01

    Summary: Pathogenic microorganisms encounter a variety of environmental stresses following infection of their respective hosts. Mycobacterium tuberculosis, the etiological agent of tuberculosis, is an unusual bacterial pathogen in that it is able to establish lifelong infections in individuals within granulomatous lesions that are formed following a productive immune response. Adaptation to this highly dynamic environment is thought to be mediated primarily through transcriptional reprogramming initiated in response to recognition of stimuli, including low-oxygen tension, nutrient depletion, reactive oxygen and nitrogen species, altered pH, toxic lipid moieties, cell wall/cell membrane-perturbing agents, and other environmental cues. To survive continued exposure to these potentially adverse factors, M. tuberculosis encodes a variety of regulatory factors, including 11 complete two-component signal transduction systems (TCSSs) and several orphaned response regulators (RRs) and sensor kinases (SKs). This report reviews our current knowledge of the TCSSs present in M. tuberculosis. In particular, we discuss the biochemical and functional characteristics of individual RRs and SKs, the environmental stimuli regulating their activation, the regulons controlled by the various TCSSs, and the known or postulated role(s) of individual TCSSs in the context of M. tuberculosis physiology and/or pathogenesis. PMID:22126994

  13. A hybrid two-component system protein from Azospirillum brasilense Sp7 was involved in chemotaxis.

    Science.gov (United States)

    Cui, Yanhua; Tu, Ran; Wu, Lixian; Hong, Yuanyuan; Chen, Sanfeng

    2011-09-20

    We here report the sequence and functional analysis of org35 of Azospirillum brasilense Sp7, which was originally identified to be able to interact with NifA in yeast-two-hybrid system. The org35 encodes a hybrid two-component system protein, including N-terminal PAS domains, a histidine kinase (HPK) domain and a response regulator (RR) domain in C-terminal. To determine the function of the Org35, a deletion-insertion mutant in PAS domain [named Sp7353] and a complemental strain Sp7353C were constructed. The mutant had reduced chemotaxis ability compared to that of wild-type, and the complemental strain was similar to the wild-type strain. These data suggested that the A. brasilense org35 played a key role in chemotaxis. Variants containing different domains of the org35 were expressed, and the functions of these domains were studied in vitro. Phosphorylation assays in vitro demonstrated that the HPK domain of Org35 possessed the autokinase activity and that the phosphorylated HPK was able to transfer phosphate groups to the RR domain. The result indicated Org35 was a phosphorylation-communicating protein. Copyright © 2010 Elsevier GmbH. All rights reserved.

  14. Discrete kink dynamics in hydrogen-bonded chains: The two-component model

    DEFF Research Database (Denmark)

    Karpan, V.M.; Zolotaryuk, Yaroslav; Christiansen, Peter Leth

    2004-01-01

    We study discrete topological solitary waves (kinks and antikinks) in two nonlinear diatomic chain models that describe the collective dynamics of proton transfers in one-dimensional hydrogen-bonded networks. The essential ingredients of the models are (i) a realistic (anharmonic) ion-proton inte......We study discrete topological solitary waves (kinks and antikinks) in two nonlinear diatomic chain models that describe the collective dynamics of proton transfers in one-dimensional hydrogen-bonded networks. The essential ingredients of the models are (i) a realistic (anharmonic) ion...... chain subject to a substrate with two optical bands), both providing a bistability of the hydrogen-bonded proton. Exact two-component (kink and antikink) discrete solutions for these models are found numerically. We compare the soliton solutions and their properties in both the one- (when the heavy ions...... principal differences, like a significant difference in the stability switchings behavior for the kinks and the antikinks. Water-filled carbon nanotubes are briefly discussed as possible realistic systems, where topological discrete (anti)kink states might exist....

  15. Thermodynamics and kinetics of interstitial diffusion in a two-component system

    International Nuclear Information System (INIS)

    McKee, R.A.

    1980-01-01

    Diffusion theory is developed for a two-component system in which only the interstitial element is mobile. A thermodynamic formalism is used in direct parallel with a kinetic theory to construct a mechanism-independent relationship between tracer- and chemical-diffusion coefficients. It is found that D/sup I/=(D-italic*/f)(1+partiallnγ/partiallnC). D/sup I/ is the intrinsic- or chemical-diffusion coefficient for the interstitial, D* is the tracer-diffusion coefficient, f is the correlation factor, and γ is the activity coefficient. This expression accounts for site exclusion, correlation, and drift effects that occur as the interstitial content changes. Generalized phenomenological coefficients that are determined in this analysis can be used for standard representations of diffusion in electric fields and temperature gradients. Moreover, the forms that the phenomenological coefficients take for the interstitial system are the same as those previously derived for vacancy diffusion. A test of this predicted relationship between tracer- and chemical-diffusion coefficients is developed using a comparison between theory and experiment for carbon diffusion in fcc iron

  16. Study of the catalytic selectivity of an aqueous two-component polyurethane system by ftir spectroscopy

    Directory of Open Access Journals (Sweden)

    Stamenković Jakov V.

    2003-01-01

    Full Text Available The difficulty in formulating a two component waterborne polyurethane, is the isocyanate-water side reaction, which can lead to gassing/foaming, loss of isocyanate functionality, low gloss and a reduced pot life. To compensate for this side reaction, these formulations usually contain a large excess of isocyanate. Tin compounds, especially dibutyltin dilaurate, are widely used in coatings as catalysts for the isocyanate/hydroxyl reaction. Because of the high aquatic toxicity of some organotin compounds, there has been an attempt to ban organotin compounds from all coating applications. As a general rule, organotin catalysts are not selective, they catalyze the reaction of isocyanates with both hydroxyl groups and water and also catalyze the hydrolysis of ester groups. One novel approach to control the water side reaction is the use of catalysts which selectively catalyze the isocyanate-polyol reaction and not the isocyanate-water reaction. The selectivity of a variety of metal catalysts (metal octoates, metal acetylacetonates and mangan chelates with mixed ligands to catalyze the preferred reaction was measured using the FTIR method.

  17. PLA and two components silicon rubber blends aiming for frozen foods packaging applications

    Science.gov (United States)

    Meekum, Utai; Khiansanoi, Apichart

    2018-03-01

    Designing of PLA and two components silicone rubber blends was studies. Frozen food packaging application is the main ultimate aim. The statistical method using 23 DOE was conducted. The standard testing methods, in particular impact testing at sub-zero temperature, were performed. The preliminary blend formula comprised 1.0 phr of silane and polyester polyols, respectively, was initially resolved. Then, the optimize the silicone portion in the blends was determined. Blending formula using 8.0 phr of silicone with respect to PLA matrix gave rise to the overall satisfactory properties. 3. TETA was used as the silicone curing agent and reactively blended onto the ingredients. TETA at 0.4 phr, with respect to the silicone, enhanced the mechanical properties, especially flexibility and toughness, of the PLA/silicone blend. Exceeding the optimal TETA loading would cause the chain scission and also the dilution effects. Hence, marginal inferior properties of the blends were be experienced. The preliminary biodegradability investigation found that the PLA/silicone blend initially triggered at the second week. Its degradation rate was likely to be faster than neat PLA.

  18. A two component model for thermal emission from organic grains in Comet Halley

    Science.gov (United States)

    Chyba, Christopher; Sagan, Carl

    1988-01-01

    Observations of Comet Halley in the near infrared reveal a triple-peaked emission feature near 3.4 micrometer, characteristic of C-H stretching in hydrocarbons. A variety of plausible cometary materials exhibit these features, including the organic residue of irradiated candidate cometary ices (such as the residue of irradiated methane ice clathrate, and polycyclic aromatic hydrocarbons. Indeed, any molecule containing -CH3 and -CH2 alkanes will emit at 3.4 micrometer under suitable conditions. Therefore tentative identifications must rest on additional evidence, including a plausible account of the origins of the organic material, a plausible model for the infrared emission of this material, and a demonstration that this conjunction of material and model not only matches the 3 to 4 micrometer spectrum, but also does not yield additional emission features where none is observed. In the case of the residue of irradiated low occupancy methane ice clathrate, it is argued that the lab synthesis of the organic residue well simulates the radiation processing experienced by Comet Halley.

  19. Numerical analysis of mixing process of two component gases in vertical fluid layer

    International Nuclear Information System (INIS)

    Hatori, Hirofumi; Takeda, Tetsuaki; Funatani, Shumpei

    2015-01-01

    When the depressurization accident occurs in the Very-High-Temperature Reactor (VHTR), it is expected that air enter into the reactor core. Therefore, it is important to know a mixing process of different kind of gases in the stable or unstable stratified fluid layer. Especially, it is also important to examine an influence of localized natural convection and molecular diffusion on mixing process from a viewpoint of safety. In order to research the mixing process of two component gases and flow characteristics of the localized natural convection, we have carried out numerical analysis using three dimensional CFD code. The numerical model was consisted of a storage tank and a reverse U-shaped vertical slot. They were separated by a partition plate. One side of the left vertical fluid layer was heated and the other side was cooled. The right vertical fluid layer was also cooled. The procedure of numerical analysis is as follows. Firstly, the storage tank was filled with heavy gas and the reverse U-shaped vertical slot was filled with light gas. In the left vertical fluid layer, the localized natural convection was generated by the temperature difference between the vertical walls. The flow characteristics were obtained by a steady state analysis. The unsteady state analysis was started when the partition plate was opened. The gases were mixed by molecular diffusion and natural convection. After the time elapsed, natural circulation occurred. The result obtained in this numerical analysis is as follows. The temperature difference of the left vertical fluid layer was set to 100 K. The combination of the mixed gas was nitrogen and argon. After 76 minutes elapsed, natural circulation occurred. (author)

  20. Structural studies of the activation of the two component receiver domain NTRC by multidimensional heteronuclear NMR

    Energy Technology Data Exchange (ETDEWEB)

    Nohaile, Michael James [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry

    1996-05-01

    Multidimensional heteronuclear NMR spectroscopy was used to investigate the N-terminal domain of the transcriptional enhancer NTRC (NiTrogen Regulatory protein C). This domain belongs to the family of receiver domains of two-component regulatory systems involved in signal transduction. Phosphorylation of NTRC at D54 leads to an activated form of the molecule which stimulates transcription of genes involved in nitrogen regulation. Three and four dimensional NMR techniques were used to determine an intermediate resolution structure of the unphosphorylated, inactive form of the N-terminal domain of NTRC. The structure is comprised of five α-helices and a five-stranded β-sheet in a (β/α)5 topology. Analysis of the backbone dynamics of NTRC indicate that helix 4 and strand 5 are significantly more flexible than the rest of the secondary structure of the protein and that the loops making up the active site are flexible. The short lifetime of phospho-NTRC hampers the study of this form. However, conditions for determining the resonance assignments and, possibly, the three dimensional structure of phosphorylated NTRC have been obtained. Tentative assignments of the phosphorylated form indicate that the majority of the changes that NTRC experiences upon phosphorylation occur in helix 3, strand 4, helix 4, strand 5, and the loop between strand 5 and helix 5 (the 3445 face of NTRC) as well as near the site of phosphorylation. In order to examine a stable, activated form of the protein, constitutively active mutants of NTRC were investigated.

  1. A second order anti-diffusive Lagrange-remap scheme for two-component flows

    Directory of Open Access Journals (Sweden)

    Lagoutière Frédéric

    2011-11-01

    Full Text Available We build a non-dissipative second order algorithm for the approximate resolution of the one-dimensional Euler system of compressible gas dynamics with two components. The considered model was proposed in [1]. The algorithm is based on [8] which deals with a non-dissipative first order resolution in Lagrange-remap formalism. In the present paper we describe, in the same framework, an algorithm that is second order accurate in time and space, and that preserves sharp interfaces. Numerical results reported at the end of the paper are very encouraging, showing the interest of the second order accuracy for genuinely non-linear waves. Nous construisons un algorithme d’ordre deux et non dissipatif pour la résolution approchée des équations d’Euler de la dynamique des gaz compressibles à deux constituants en dimension un. Le modèle que nous considérons est celui à cinq équations proposé et analysé dans [1]. L’algorithme est basé sur [8] qui proposait une résolution approchée à l’ordre un et non dissipative au moyen d’un splitting de type Lagrange-projection. Dans le présent article, nous décrivons, dans le même formalisme, un algorithme d’ordre deux en temps et en espace, qui préserve des interfaces « parfaites » entre les constituants. Les résultats numériques rapportés à la fin de l’article sont très encourageants ; ils montrent clairement les avantages d’un schéma d’ordre deux pour les ondes vraiment non linéaires.

  2. Analysis of water hammer in two-component two-phase flows

    International Nuclear Information System (INIS)

    Warde, H.; Marzouk, E.; Ibrahim, S.

    1989-01-01

    The water hammer phenomena caused by a sudden valve closure in air-water two-phase flows must be clarified for the safety analysis of LOCA in reactors and further for the safety of boilers, chemical plants, pipe transport of fluids such as petroleum and natural gas. In the present work water hammer phenomena caused by sudden valve closure in two-component two-phase flows are investigated theoretically and experimentally. The phenomena are more complicated than in single phase-flows due to the fact of the presence of compressible component. Basic partial differential equations based on a one-dimensional homogeneous flow model are solved by the method of characteristic. The analysis is extended to include friction in a two-phase mixture depending on the local flow pattern. The profiles of the pressure transients, the propagation velocity of pressure waves and the effect of valve closure on the transient pressure are found. Different two-phase flow pattern and frictional pressure drop correlations were used including Baker, Chesholm and Beggs and Bril correlations. The effect of the flow pattern on the characteristic of wave propagation is discussed primarily to indicate the effect of void fraction on the velocity of wave propagation and on the attenuation of pressure waves. Transient pressure in the mixture were recorded at different air void fractions, rates of uniform valve closure and liquid flow velocities with the aid of pressure transducers, transient wave form recorders interfaced with an on-line pc computer. The results are compared with computation, and good agreement was obtained within experimental accuracy

  3. Transcriptome analysis of the Brucella abortus BvrR/BvrS two-component regulatory system.

    Directory of Open Access Journals (Sweden)

    Cristina Viadas

    Full Text Available BACKGROUND: The two-component BvrR/BvrS system is essential for Brucella abortus virulence. It was shown previously that its dysfunction alters the expression of some major outer membrane proteins and the pattern of lipid A acylation. To determine the genes regulated by BvrR/BvrS, we performed a whole-genome microarray analysis using B. abortus RNA obtained from wild type and bvrR mutant cells grown in the same conditions. METHODOLOGY/PRINCIPAL FINDINGS: A total of 127 differentially expressed genes were found: 83 were over expressed and 44 were less expressed in the bvrR mutant. Two operons, the phosphotransferase system and the maltose transport system, were down-regulated. Several genes involved in cell envelope or outer membrane biogenesis were differentially expressed: genes for outer membrane proteins (omp25a, omp25d, lipoproteins, LPS and fatty acid biosynthesis, stress response proteins, chaperones, flagellar genes, and twelve genes encoding ABC transport systems. Ten genes related with carbon metabolism (pckA and fumB among others were up-regulated in the bvrR mutant, and denitrification genes (nirK, norC and nosZ were also regulated. Notably, seven transcriptional regulators were affected, including VjbR, ExoR and OmpR that were less expressed in the bvrR mutant. Finally, the expression of eleven genes which have been previously related with Brucella virulence was also altered. CONCLUSIONS/SIGNIFICANCE: All these data corroborate the impact of BvrR/BvrS on cell envelope modulation, confirm that this system controls the carbon and nitrogen metabolism, and suggest a cross-talk among some regulators to adjust the Brucella physiology to the shift expected to occur during the transit from the extracellular to the intracellular niche.

  4. Salivaricin P, One of a Family of Two-Component Antilisterial Bacteriocins Produced by Intestinal Isolates of Lactobacillus salivarius▿

    Science.gov (United States)

    Barrett, Eoin; Hayes, Maria; O'Connor, Paula; Gardiner, Gillian; Fitzgerald, Gerald F.; Stanton, Catherine; Ross, R. Paul; Hill, Colin

    2007-01-01

    Lactobacillus salivarius DPC6005, a porcine intestinal isolate, produces a two-component bacteriocin, salivaricin P, with homology to ABP-118 produced by a human probiotic L. salivarius strain. Indeed, molecular characterization revealed that while the peptides Sln1 and ABP-118α are identical, their companion peptides (Sln2 and ABP-118β, respectively) differ by two amino acids. This observation suggests that two-component bacteriocins may be a common feature of intestinal L. salivarius strains. PMID:17416691

  5. Cloning of a two-component signal transduction system of Xanthomonas campestris pv. phaseoli var. fuscans strain BXPF65

    DEFF Research Database (Denmark)

    Chan, JWYF; Maynard, Scott; Goodwin, PH

    1998-01-01

    A putative two-component signal transduction system was amplified and cloned from the plant pathogenic bacterium Xanthomonas campestris pv. phaseoli var. fuscans isolate BXPF65. The 620 bp amplified fragment was sequenced and analyzed with the BLAST Enhanced Alignment Utility (BEAUTY). BEAUTY...... that the putative histidine kinase has homology with conserved “transmitter” domains of sensor proteins in two-component signal transduction systems. RFLP analysis using the putative signal transduction system showed polymorphisms among the strains....

  6. A two-component generalization of the reduced Ostrovsky equation and its integrable semi-discrete analogue

    International Nuclear Information System (INIS)

    Feng, Bao-Feng; Maruno, Ken-ichi; Ohta, Yasuhiro

    2017-01-01

    In the present paper, we propose a two-component generalization of the reduced Ostrovsky (Vakhnenko) equation, whose differential form can be viewed as the short-wave limit of a two-component Degasperis–Procesi (DP) equation. They are integrable due to the existence of Lax pairs. Moreover, we have shown that the two-component reduced Ostrovsky equation can be reduced from an extended BKP hierarchy with negative flow through a pseudo 3-reduction and a hodograph (reciprocal) transform. As a by-product, its bilinear form and N -soliton solution in terms of pfaffians are presented. One- and two-soliton solutions are provided and analyzed. In the second part of the paper, we start with a modified BKP hierarchy, which is a Bäcklund transformation of the above extended BKP hierarchy, an integrable semi-discrete analogue of the two-component reduced Ostrovsky equation is constructed by defining an appropriate discrete hodograph transform and dependent variable transformations. In particular, the backward difference form of above semi-discrete two-component reduced Ostrovsky equation gives rise to the integrable semi-discretization of the short wave limit of a two-component DP equation. Their N -soliton solutions in terms of pffafians are also provided. (paper)

  7. Two-component wind fields over ocean waves using atmospheric lidar and motion estimation algorithms

    Science.gov (United States)

    Mayor, S. D.

    2016-02-01

    Numerical models, such as large eddy simulations, are capable of providing stunning visualizations of the air-sea interface. One reason for this is the inherent spatial nature of such models. As compute power grows, models are able to provide higher resolution visualizations over larger domains revealing intricate details of the interactions of ocean waves and the airflow over them. Spatial observations on the other hand, which are necessary to validate the simulations, appear to lag behind models. The rough ocean environment of the real world is an additional challenge. One method of providing spatial observations of fluid flow is that of particle image velocimetry (PIV). PIV has been successfully applied to many problems in engineering and the geosciences. This presentation will show recent research results that demonstate that a PIV-style approach using pulsed-fiber atmospheric elastic backscatter lidar hardware and wavelet-based optical flow motion estimation software can reveal two-component wind fields over rough ocean surfaces. Namely, a recently-developed compact lidar was deployed for 10 days in March of 2015 in the Eureka, California area. It scanned over the ocean. Imagery reveal that breaking ocean waves provide copius amounts of particulate matter for the lidar to detect and for the motion estimation algorithms to retrieve wind vectors from. The image below shows two examples of results from the experiment. The left panel shows the elastic backscatter intensity (copper shades) under a field of vectors that was retrieved by the wavelet-based optical flow algorithm from two scans that took about 15 s each to acquire. The vectors, that reveal offshore flow toward the NW, were decimated for clarity. The bright aerosol features along the right edge of the sector scan were caused by ocean waves breaking on the beach. The right panel is the result of scanning over the ocean on a day when wave amplitudes ranged from 8-12 feet and whitecaps offshore beyond the

  8. Evolutionary tuning of protein expression levels of a positively autoregulated two-component system.

    Directory of Open Access Journals (Sweden)

    Rong Gao

    2013-10-01

    Full Text Available Cellular adaptation relies on the development of proper regulatory schemes for accurate control of gene expression levels in response to environmental cues. Over- or under-expression can lead to diminished cell fitness due to increased costs or insufficient benefits. Positive autoregulation is a common regulatory scheme that controls protein expression levels and gives rise to essential features in diverse signaling systems, yet its roles in cell fitness are less understood. It remains largely unknown how much protein expression is 'appropriate' for optimal cell fitness under specific extracellular conditions and how the dynamic environment shapes the regulatory scheme to reach appropriate expression levels. Here, we investigate the correlation of cell fitness and output response with protein expression levels of the E. coli PhoB/PhoR two-component system (TCS. In response to phosphate (Pi-depletion, the PhoB/PhoR system activates genes involved in phosphorus assimilation as well as genes encoding themselves, similarly to many other positively autoregulated TCSs. We developed a bacteria competition assay in continuous cultures and discovered that different Pi conditions have conflicting requirements of protein expression levels for optimal cell fitness. Pi-replete conditions favored cells with low levels of PhoB/PhoR while Pi-deplete conditions selected for cells with high levels of PhoB/PhoR. These two levels matched PhoB/PhoR concentrations achieved via positive autoregulation in wild-type cells under Pi-replete and -deplete conditions, respectively. The fitness optimum correlates with the wild-type expression level, above which the phosphorylation output saturates, thus further increase in expression presumably provides no additional benefits. Laboratory evolution experiments further indicate that cells with non-ideal protein levels can evolve toward the optimal levels with diverse mutational strategies. Our results suggest that the natural

  9. Two-component HLMC-gas flow instability and inhomogeneity phenomena in open-pool reactor

    International Nuclear Information System (INIS)

    Sergey I Shcherbakov

    2005-01-01

    Full text of publication follows: Consideration is being given to two-component gas-liquid flows with inhomogeneous gas content. The inhomogeneity of gas content over flow space can be caused by local mixing of gas and liquid, gas injection, gas-containing liquid jet penetration into the bulk of liquid without gas. The paper presents the computational results obtained using the direct non-stationary calculation with the TURBO-FLOW computer code. The results refer to flows near the liquid level, flows in downcomer gaps, collectors, elements with varying geometry (jet outlet into space, flow turn) for the pool-type reactors and experimental models. The following processes have been shown and discussed: formation of new liquid levels, entrainment of gas from the level, change in density composition of gas, flow stratification, effect of gas emergence rate and density convection on flow pattern. At gas phase transfer by liquid, two phenomena governing this transfer proceed: gas slip in liquid and density convection of non-uniformly aerated liquid. In horizontal flows, a vertical stratification of gas content always occurs. If the flow changes its direction to an upward one (collector at core inlet), the gas content maximum would be observed in channels nearest to the inlet. At the liquid level, the processes of gas separation from liquid and gas entrainment take place. The separation is a self-sustained process due to circulations arising near the level. The rate of gas entrainment is proportional to the rate of overflow and inversely proportional to the height of liquid level. At the downcomer region in case of its expansion, there occurs the instability of flow resulting in formation of liquid level and falling jet. The level is lower the more the gas content at inlet. The accumulation of gas occurs at sharp turns, encumbered regions (tube bundle), at all regions with upper (ceiling) constraints of flow. The flow instability being often observed in gas-liquid flows

  10. Characterization of an archaeal two-component system that regulates methanogenesis in Methanosaeta harundinacea.

    Directory of Open Access Journals (Sweden)

    Jie Li

    Full Text Available Two-component signal transduction systems (TCSs are a major mechanism used by bacteria in response to environmental changes. Although many sequenced archaeal genomes encode TCSs, they remain poorly understood. Previously, we reported that a methanogenic archaeon, Methanosaeta harundinacea, encodes FilI, which synthesizes carboxyl-acyl homoserine lactones, to regulate transitions of cellular morphology and carbon metabolic fluxes. Here, we report that filI, the cotranscribed filR2, and the adjacent filR1 constitute an archaeal TCS. FilI possesses a cytoplasmic kinase domain (histidine kinase A and histidine kinase-like ATPase and its cognate response regulator. FilR1 carries a receiver (REC domain coupled with an ArsR-related domain with potential DNA-binding ability, while FilR2 carries only a REC domain. In a phosphorelay assay, FilI was autophosphorylated and specifically transferred the phosphoryl group to FilR1 and FilR2, confirming that the three formed a cognate TCS. Through chromatin immunoprecipitation-quantitative polymerase chain reaction (ChIP-qPCR using an anti-FilR1 antibody, FilR1 was shown to form in vivo associations with its own promoter and the promoter of the filI-filR2 operon, demonstrating a regulatory pattern common among TCSs. ChIP-qPCR also detected FilR1 associations with key genes involved in acetoclastic methanogenesis, acs4 and acs1. Electrophoretic mobility shift assays confirmed the in vitro tight binding of FilR1 to its own promoter and those of filI-filR2, acs4, and mtrABC. This also proves the DNA-binding ability of the ArsR-related domain, which is found primarily in Archaea. The archaeal promoters of acs4, filI, acs1, and mtrABC also initiated FilR1-modulated expression in an Escherichia coli lux reporter system, suggesting that FilR1 can up-regulate both archaeal and bacterial transcription. In conclusion, this work identifies an archaeal FilI/FilRs TCS that regulates the methanogenesis of M. harundinacea.

  11. Experimental investigation of the factors influencing the polymer-polymer bond strength during two component injection moulding

    DEFF Research Database (Denmark)

    Islam, Mohammad Aminul; Hansen, Hans Nørgaard; Tang, Peter Torben

    2007-01-01

    Two component injection moulding is a commercially important manufacturing process and a key technology for Moulded Interconnect Devices (MIDs). Many fascinating applications of two component or multi component polymer parts are restricted due to the weak interfacial adhesion of the polymers...... effectively control the adhesion between two polymers. The effects of environmental conditions on the bond strength after moulding are also investigated. The material selections and environmental conditions were chosen based on the suitability of MID production, but the results and discussion presented....... A thorough understanding of the factors that influence the bond strength of polymers is necessary for multi component polymer processing. This paper investigates the effects of the process and material parameters on the bond strength of two component polymer parts and identifies the factors which can...

  12. Experimental investigation of the factors influencing the polymer-polymer bond strength during two-component injection moulding

    DEFF Research Database (Denmark)

    Islam, Aminul; Hansen, Hans Nørgaard; Bondo, Martin

    2010-01-01

    Two-component injection moulding is a commercially important manufacturing process and a key technology for combining different material properties in a single plastic product. It is also one of most industrially adaptive process chain for manufacturing so-called moulded interconnect devices (MIDs......). Many fascinating applications of two-component or multi-component polymer parts are restricted due to the weak interfacial adhesion of the polymers. A thorough understanding of the factors that influence the bond strength of polymers is necessary for multi-component polymer processing. This paper...... investigates the effects of the process conditions and geometrical factors on the bond strength of two-component polymer parts and identifies the factors which can effectively control the adhesion between two polymers. The effects of environmental conditions on the bond strength are also investigated...

  13. Bacillus subtilis Two-Component System Sensory Kinase DegS Is Regulated by Serine Phosphorylation in Its Input Domain

    DEFF Research Database (Denmark)

    Jers, Carsten; Kobir, Ahasanul; Søndergaard, Elsebeth Oline

    2011-01-01

    Bacillus subtilis two-component system DegS/U is well known for the complexity of its regulation. The cytosolic sensory kinase DegS does not receive a single predominant input signal like most two-component kinases, instead it integrates a wide array of metabolic inputs that modulate its activity......S phosphorylation can be carried out by at least two B. subtilis Hanks-type kinases in vitro, and this stimulates the phosphate transfer towards DegU. The consequences of this process were studied in vivo, using phosphomimetic (Ser76Asp) and non-phosphorylatable (Ser76Ala) mutants of DegS. In a number...

  14. Metagenomic screening for aromatic compound-responsive transcriptional regulators.

    Directory of Open Access Journals (Sweden)

    Taku Uchiyama

    Full Text Available We applied a metagenomics approach to screen for transcriptional regulators that sense aromatic compounds. The library was constructed by cloning environmental DNA fragments into a promoter-less vector containing green fluorescence protein. Fluorescence-based screening was then performed in the presence of various aromatic compounds. A total of 12 clones were isolated that fluoresced in response to salicylate, 3-methyl catechol, 4-chlorocatechol and chlorohydroquinone. Sequence analysis revealed at least 1 putative transcriptional regulator, excluding 1 clone (CHLO8F. Deletion analysis identified compound-specific transcriptional regulators; namely, 8 LysR-types, 2 two-component-types and 1 AraC-type. Of these, 9 representative clones were selected and their reaction specificities to 18 aromatic compounds were investigated. Overall, our transcriptional regulators were functionally diverse in terms of both specificity and induction rates. LysR- and AraC- type regulators had relatively narrow specificities with high induction rates (5-50 fold, whereas two-component-types had wide specificities with low induction rates (3 fold. Numerous transcriptional regulators have been deposited in sequence databases, but their functions remain largely unknown. Thus, our results add valuable information regarding the sequence-function relationship of transcriptional regulators.

  15. A Principle of Corresponding States for Two-Component, Self-Gravitating Fluids

    Directory of Open Access Journals (Sweden)

    Caimmi, R.

    2010-06-01

    Full Text Available Macrogases are defined as two-component,large-scale celestial objects where the subsystems interact only via gravitation.The macrogas equation of state is formulated and compared to the van der Waals (VDWequation of state for ordinary gases.By analogy, it is assumed that real macroisothermal curves in macrogases occur as real isothermal curves in ordinary gases, where a phase transition(vapour-liquid observed in ordinary gases and gas-stars assumed in macrogases takesplace along a horizontal linein the macrovolume-macropressure{small $({sf O}sX_mathrm{V}sX_mathrm{p}$} plane.The intersections between real and theoretical(deduced from the equation of state macro isothermalcurves, make two regions of equal surface as for ordinary gases obeying the VDW equation of state.A numerical algorithm is developed for determining the following points of a selected theoretical macroisothermal curve on the {small $({sf O}sX_mathrm{V}sX_mathrm{p}$} plane:the three intersections with the related real macroisothermal curve,and the two extremum points (one maximum and one minimum. Different kinds of macrogases are studied in detail: UU, where U density profiles are flat, to be conceived as a simple guidance case; HH, where H density profiles obey the Hernquist (1990 law, which satisfactorily fits the observed spheroidal components of galaxies; HN/NH, where N density profiles obey the Navarro-Frenk-White (1995,1996, 1997 law, which satisfactorily fits the simulated nonbaryonic dark matter haloes.A different trend is shown by theoretical macroisothermal curves on the{small $({sf O}sX_mathrm{V}sX_mathrm{p}$} plane,according to whether density profiles are sufficiently mild (UU or sufficiently steep (HH, HN/NH.In the former alternative, no critical macroisothermal curve exists, below or above which the trend is monotonous. In the latter alternative, a critical macroisothermal curve exists, as shown by VDW gases, where the critical point may be defined as the horizontal

  16. A principle of corresponding states for two-component, self-gravitating fluids

    Directory of Open Access Journals (Sweden)

    Caimmi R.

    2010-01-01

    Full Text Available Macrogases are defined as two-component, large-scale celestial objects where the subsystems interact only via gravitation. The macrogas equation of state is formulated and compared to the van der Waals (VDW equation of state for ordinary gases. By analogy, it is assumed that real macroisothermal curves in macrogases occur as real isothermal curves in ordinary gases, where a phase transition (vapour-liquid observed in ordinary gases and gas-stars assumed in macrogases takes place along a horizontal line in the macrovolume-macropressure (O, Xv, Xp plane. The intersections between real and theoretical (deduced from the equation of state macroisothermal curves, make two regions of equal surface as for ordinary gases obeying the VDW equation of state. A numerical algorithm is developed for determining the following points of a selected theoretical macroisothermal curve on the (O, Xv, Xp plane: the three intersections with the related real macroisothermal curve, and the two extremum points (one maximum and one minimum. Different kinds of macrogases are studied in detail: UU, where U density profiles are flat, to be conceived as a simple guidance case; HH, where H density profiles obey the Hernquist (1990 law, which satisfactorily fits the observed spheroidal components of galaxies; HN/NH, where N density profiles obey the Navarro-Frenk-White (1995, 1996, 1997 law, which satisfactorily fits the simulated nonbaryonic dark matter haloes. A different trend is shown by theoretical macroisothermal curves on the (O/XV/Xp plane, according to whether density profiles are sufficiently mild (UU or sufficiently steep (HH, HN/NH. In the former alternative, no critical macroisothermal curve exists, below or above which the trend is monotonous. In the latter alternative, a critical macroisothermal curve exists, as shown by VDW gases, where the critical point may be defined as the horizontal inflexion point. In any case, by analogy with VDW gases, the first quadrant

  17. Viscous Growth in Spinodal Decomposition of the Two-component Lennard-Jones Model in Two Dimensions

    DEFF Research Database (Denmark)

    Laradji, M.; Toxvaerd, S.; Mouritsen, Ole G.

    1997-01-01

    The dynamics of phase separation of a two-component Lennard-Jones model in three dimensions is investigated by means of large scale molecular dynamics simulation. A systematic study over a wide range of quench temperatures within the coexistence region shows that the binary system reaches...

  18. Dispersion calculation method based on S-transform and coordinate rotation for Love channel waves with two components

    Science.gov (United States)

    Feng, Lei; Zhang, Yugui

    2017-08-01

    Dispersion analysis is an important part of in-seam seismic data processing, and the calculation accuracy of the dispersion curve directly influences pickup errors of channel wave travel time. To extract an accurate channel wave dispersion curve from in-seam seismic two-component signals, we proposed a time-frequency analysis method based on single-trace signal processing; in addition, we formulated a dispersion calculation equation, based on S-transform, with a freely adjusted filter window width. To unify the azimuth of seismic wave propagation received by a two-component geophone, the original in-seam seismic data undergoes coordinate rotation. The rotation angle can be calculated based on P-wave characteristics, with high energy in the wave propagation direction and weak energy in the vertical direction. With this angle acquisition, a two-component signal can be converted to horizontal and vertical directions. Because Love channel waves have a particle vibration track perpendicular to the wave propagation direction, the signal in the horizontal and vertical directions is mainly Love channel waves. More accurate dispersion characters of Love channel waves can be extracted after the coordinate rotation of two-component signals.

  19. The YvfTU Two-component System is involved in plcR expression in Bacillus cereus

    NARCIS (Netherlands)

    Brillard, Julien; Susanna, Kim; Michaud, Caroline; Dargaignaratz, Claire; Gohar, Michel; Nielsen-Leroux, Christina; Ramarao, Nalini; Kolsto, Anne-Brit; Nguyen-The, Christophe; Lereclus, Didier; Broussolle, Veronique

    2008-01-01

    Background: Most extracellular virulence factors produced by Bacillus cereus are regulated by the pleiotropic transcriptional activator PlcR. Among strains belonging to the B. cereus group, the plcR gene is always located in the vicinity of genes encoding the YvfTU two-component system. The putative

  20. Quantum-phase dynamics of two-component Bose-Einstein condensates: Collapse-revival of macroscopic superposition states

    International Nuclear Information System (INIS)

    Nakano, Masayoshi; Kishi, Ryohei; Ohta, Suguru; Takahashi, Hideaki; Furukawa, Shin-ichi; Yamaguchi, Kizashi

    2005-01-01

    We investigate the long-time dynamics of two-component dilute gas Bose-Einstein condensates with relatively different two-body interactions and Josephson couplings between the two components. Although in certain parameter regimes the quantum state of the system is known to evolve into macroscopic superposition, i.e., Schroedinger cat state, of two states with relative atom number differences between the two components, the Schroedinger cat state is also found to repeat the collapse and revival behavior in the long-time region. The dynamical behavior of the Pegg-Barnett phase difference between the two components is shown to be closely connected with the dynamics of the relative atom number difference for different parameters. The variation in the relative magnitude between the Josephson coupling and intra- and inter-component two-body interaction difference turns out to significantly change not only the size of the Schroedinger cat state but also its collapse-revival period, i.e., the lifetime of the Schroedinger cat state

  1. A Conserved Two-Component Signal Transduction System Controls the Response to Phosphate Starvation in Bifidobacterium breve UCC2003.

    NARCIS (Netherlands)

    Alvarez-Martin, P.; Fernandez, M.; O'Connell-Motherway, M.; O'Connell, K.J.; Sauvageot, N.; Fitzgerald, G.F.; Macsharry, J.; Zomer, A.L.; Sinderen, D. van

    2012-01-01

    This work reports on the identification and molecular characterization of the two-component regulatory system (2CRS) PhoRP, which controls the response to inorganic phosphate (P(i)) starvation in Bifidobacterium breve UCC2003. The response regulator PhoP was shown to bind to the promoter region of

  2. Atom-number squeezing and bipartite entanglement of two-component Bose-Einstein condensates: analytical results

    Energy Technology Data Exchange (ETDEWEB)

    Jin, G R; Wang, X W; Li, D; Lu, Y W, E-mail: grjin@bjtu.edu.c [Department of Physics, Beijing Jiaotong University, Beijing 100044 (China)

    2010-02-28

    We investigate spin dynamics of a two-component Bose-Einstein condensate with weak Josephson coupling. Analytical expressions of atom-number squeezing and bipartite entanglement are presented for atom-atom repulsive interactions. For attractive interactions, there is no number squeezing; however, the squeezing parameter is still useful to recognize the appearance of Schroedinger's cat state.

  3. A comparison of two-component and quadratic models to assess survival of irradiated stage-7 oocytes of Drosophila melanogaster

    International Nuclear Information System (INIS)

    Peres, C.A.; Koo, J.O.

    1981-01-01

    In this paper, the quadratic model to analyse data of this kind, i.e. S/S 0 = exp(-αD-bD 2 ), where S and Ssub(o) are defined as before is proposed is shown that the same biological interpretation can be given to the parameters α and A and to the parameters β and B. Furthermore it is shown that the quadratic model involves one probabilistic stage more than the two-component model, and therefore the quadratic model would perhaps be more appropriate as a dose-response model for survival of irradiated stage-7 oocytes of Drosophila melanogaster. In order to apply these results, the data presented by Sankaranarayanan and Sankaranarayanan and Volkers are reanalysed using the quadratic model. It is shown that the quadratic model fits better than the two-component model to the data in most situations. (orig./AJ)

  4. Effects of non-uniform temperature gradients on surface tension driven two component magneto convection in a porous- fluid system

    Science.gov (United States)

    Manjunatha, N.; Sumithra, R.

    2018-04-01

    The problem of surface tension driven two component magnetoconvection is investigated in a Porous-Fluid system, consisting of anincompressible two component electrically conducting fluid saturatedporous layer above which lies a layer of the same fluid in the presence of a uniform vertical magnetic field. The lower boundary of the porous layeris rigid and the upper boundary of the fluid layer is free with surfacetension effects depending on both temperature and concentration, boththese boundaries are insulating to heat and mass. At the interface thevelocity, shear and normal stress, heat and heat flux, mass and mass fluxare assumed to be continuous suitable for Darcy-Brinkman model. Theeigenvalue problem is solved in linear, parabolic and inverted parabolictemperature profiles and the corresponding Thermal Marangoni Numberis obtained for different important physical parameters.

  5. Recovering four-component solutions by the inverse transformation of the infinite-order two-component wave functions

    International Nuclear Information System (INIS)

    Barysz, Maria; Mentel, Lukasz; Leszczynski, Jerzy

    2009-01-01

    The two-component Hamiltonian of the infinite-order two-component (IOTC) theory is obtained by a unitary block-diagonalizing transformation of the Dirac-Hamiltonian. Once the IOTC spin orbitals are calculated, they can be back transformed into four-component solutions. The transformed four component solutions are then used to evaluate different moments of the electron density distribution. This formally exact method may, however, suffer from certain approximations involved in its numerical implementation. As shown by the present study, with sufficiently large basis set of Gaussian functions, the Dirac values of these moments are fully recovered in spite of using the approximate identity resolution into eigenvectors of the p 2 operator.

  6. Rayleigh-Taylor instability and mushroom-pattern formation in a two-component Bose-Einstein condensate

    International Nuclear Information System (INIS)

    Sasaki, Kazuki; Suzuki, Naoya; Saito, Hiroki; Akamatsu, Daisuke

    2009-01-01

    The Rayleigh-Taylor instability at the interface in an immiscible two-component Bose-Einstein condensate is investigated using the mean field and Bogoliubov theories. Rayleigh-Taylor fingers are found to grow from the interface and mushroom patterns are formed. Quantized vortex rings and vortex lines are then generated around the mushrooms. The Rayleigh-Taylor instability and mushroom-pattern formation can be observed in a trapped system.

  7. Investigation of low-latitude hydrogen emission in terms of a two-component interstellar gas model

    International Nuclear Information System (INIS)

    Baker, P.L.; Burton, W.B.

    1975-01-01

    The high-resolution 21-cm hydrogen line observations at low galactic latitude of Burton and Verschuur have been analyzed to determine the large-scale distribution of galactic hydrogen. The distribution parameters are found by model fitting. Optical depth affects have been computed using a two-component gas model. Analysis shows that a multiphase description of the medium is essential to the interpretation of low-latitude emission observations. Where possible, the number of free parameters in the gas model has been reduced. Calculations were performed for a one-component, uniform spin temperature, gas model in order to show the systematic departures between this model and the data caused by the incorrect treatment of the optical depth effect. In the two-component gas, radiative transfer is treated by a Monte Carlo calculation since the opacity of the gas arises in a randomly distributed, cold, optically thick, low velocity-dispersion, cloud medium. The emission arises in both the cloud medium and a smoothly distributed, optically thin, high velocity-dispersion, intercloud medium. The synthetic profiles computed from the two-component model reproduce both the large-scale trends of the observed emission profiles and the magnitude of the small-scale emission irregularities. The analysis permits the determination of values for []he thickness of the galactic disk between half density points, the total observed neutral hydrogen mass of the Galaxy, and the central number density of the intercloud atoms. In addition, the analysis is sensitive to the size of clouds contributing to the observations. Computations also show that synthetic emission profiles based on the two-component model display both the zero-velocity and high-velocity ridges, indicative of optical thinness on a large scale, in spite of the presence of optically thick gas

  8. Two-Component Signal Transduction Systems That Regulate the Temporal and Spatial Expression of Myxococcus xanthus Sporulation Genes.

    Science.gov (United States)

    Sarwar, Zaara; Garza, Anthony G

    2016-02-01

    When starved for nutrients, Myxococcus xanthus produces a biofilm that contains a mat of rod-shaped cells, known as peripheral rods, and aerial structures called fruiting bodies, which house thousands of dormant and stress-resistant spherical spores. Because rod-shaped cells differentiate into spherical, stress-resistant spores and spore differentiation occurs only in nascent fruiting bodies, many genes and multiple levels of regulation are required. Over the past 2 decades, many regulators of the temporal and spatial expression of M. xanthus sporulation genes have been uncovered. Of these sporulation gene regulators, two-component signal transduction circuits, which typically contain a histidine kinase sensor protein and a transcriptional regulator known as response regulator, are among the best characterized. In this review, we discuss prototypical two-component systems (Nla6S/Nla6 and Nla28S/Nla28) that regulate an early, preaggregation phase of sporulation gene expression during fruiting body development. We also discuss orphan response regulators (ActB and FruA) that regulate a later phase of sporulation gene expression, which begins during the aggregation stage of fruiting body development. In addition, we summarize the research on a complex two-component system (Esp) that is important for the spatial regulation of sporulation. Copyright © 2016, American Society for Microbiology. All Rights Reserved.

  9. Aromatic chemical feedstocks from coal

    Energy Technology Data Exchange (ETDEWEB)

    Collin, G

    1982-06-01

    Liquid byproducts of coal carbonization meet some 25% of the world demand for aromatic chemicals, currently at approx. 30 million t/a, in particular 15% of the demand for benzene and over 95% of the demand for condensed aromatics and heteroaromatics. Industrial processing of the aromatic byproducts of coal pressure gasification is carried out to only a minor extent. Other methods that may be employed in future to obtain carbochemical aromatic compounds are solvolysis and supercritical gas extraction, the catalytic liquid-phase hydrogenation and hydropyrolysis of coal, which also permit recovery of benzene and homologues, phenols, and condensed and partially hydrogenated aromatics, and the synthesis of aromatics using methanol as the key compound. As with the present means of obtaining aromatic chemicals from coal, the processes that may in the future be applied on an industrial scale to obtain pure aromatics will only be economically feasible if linked with the manufacture of other mass products and combined with the present production of carbochemical aromatics.

  10. Aromatic raw materials from coal

    Energy Technology Data Exchange (ETDEWEB)

    Collin, G

    1982-06-01

    Liquid byproducts of coal carbonization meet some 25% of the world demand for aromatic chemicals, currently at approx. 30 million t/a, in particular 15% of the demand for benzene and over 95% of the demand for condensed aromatics and heteroaromatics. Industrial processing of the aromatic byproducts of coal pressure gasification is carried out to only a minor extent. Other methods that may be employed in future to obtain carbochemical aromatic compounds are solvolysis and supercritical gas extraction, the catalytic liquid-phase hydrogenation and hydropyrolysis of coal, which also permit recovery of benzene and homologues, phenols, and condensed and partially hydrogenated aromatics, and the synthesis of aromatics using methanol as the key compound. As with the present means of obtaining aromatic chemicals from coal, the processes that may in future be applied on an industrial scale to obtain pure aromatics will only be economically feasible if linked with the manufacture of other mass products and combined with the present production of carbochemical aromatics. (In German)

  11. How can EPR spectroscopy help to unravel molecular mechanisms of flavin-dependent photoreceptors?

    Directory of Open Access Journals (Sweden)

    Daniel eNohr

    2015-09-01

    Full Text Available Electron paramagnetic resonance (EPR spectroscopy is a well-established spectroscopic method for the examination of paramagnetic molecules. Proteins can contain paramagnetic moieties in form of stable cofactors, transiently formed intermediates, or spin labels artificially introduced to cysteine sites. The focus of this review is to evaluate potential scopes of application of EPR to the emerging field of optogenetics. The main objective for EPR spectroscopy in this context is to unravel the complex mechanisms of light-active proteins, from their primary photoreaction to downstream signal transduction. An overview of recent results from the family of flavin-containing, blue-light dependent photoreceptors is given. In detail, mechanistic similarities and differences are condensed from the three classes of flavoproteins, the cryptochromes, LOV (Light-oxygen-voltage, and BLUF (blue-light using FAD domains. Additionally, a concept that includes spin-labeled proteins and examination using modern pulsed EPR is introduced, which allows for a precise mapping of light-induced conformational changes.

  12. How can EPR spectroscopy help to unravel molecular mechanisms of flavin-dependent photoreceptors?

    Science.gov (United States)

    Nohr, Daniel; Rodriguez, Ryan; Weber, Stefan; Schleicher, Erik

    2015-01-01

    Electron paramagnetic resonance (EPR) spectroscopy is a well-established spectroscopic method for the examination of paramagnetic molecules. Proteins can contain paramagnetic moieties in form of stable cofactors, transiently formed intermediates, or spin labels artificially introduced to cysteine sites. The focus of this review is to evaluate potential scopes of application of EPR to the emerging field of optogenetics. The main objective for EPR spectroscopy in this context is to unravel the complex mechanisms of light-active proteins, from their primary photoreaction to downstream signal transduction. An overview of recent results from the family of flavin-containing, blue-light dependent photoreceptors is given. In detail, mechanistic similarities and differences are condensed from the three classes of flavoproteins, the cryptochromes, LOV (Light-oxygen-voltage), and BLUF (blue-light using FAD) domains. Additionally, a concept that includes spin-labeled proteins and examination using modern pulsed EPR is introduced, which allows for a precise mapping of light-induced conformational changes.

  13. Bacterial Degradation of Aromatic Compounds

    Directory of Open Access Journals (Sweden)

    Qing X. Li

    2009-01-01

    Full Text Available Aromatic compounds are among the most prevalent and persistent pollutants in the environment. Petroleum-contaminated soil and sediment commonly contain a mixture of polycyclic aromatic hydrocarbons (PAHs and heterocyclic aromatics. Aromatics derived from industrial activities often have functional groups such as alkyls, halogens and nitro groups. Biodegradation is a major mechanism of removal of organic pollutants from a contaminated site. This review focuses on bacterial degradation pathways of selected aromatic compounds. Catabolic pathways of naphthalene, fluorene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene are described in detail. Bacterial catabolism of the heterocycles dibenzofuran, carbazole, dibenzothiophene, and dibenzodioxin is discussed. Bacterial catabolism of alkylated PAHs is summarized, followed by a brief discussion of proteomics and metabolomics as powerful tools for elucidation of biodegradation mechanisms.

  14. Quantum particle-number fluctuations in a two-component Bose gas in a double-well potential

    International Nuclear Information System (INIS)

    Zin, Pawel; Oles, Bartlomiej; Sacha, Krzysztof

    2011-01-01

    A two-component Bose gas in a double-well potential with repulsive interactions may undergo a phase separation transition if the interspecies interactions outweigh the intraspecies ones. We analyze the transition in the strong interaction limit within the two-mode approximation. Numbers of particles in each potential well are equal and constant. However, at the transition point, the ground state of the system reveals huge fluctuations of numbers of particles belonging to the different gas components; that is, the probability for observation of any mixture of particles in each potential well becomes uniform.

  15. Fluorescence lifetime selectivity in excitation-emission matrices for qualitative analysis of a two-component system

    International Nuclear Information System (INIS)

    Millican, D.W.; McGown, L.B.

    1989-01-01

    Steady-state fluorescence excitation-emission matrices (EEMs), and phase-resolved EEMs (PREEMs) collected at modulation frequencies of 6, 18, and 30 MHz, were used for qualitative analysis of mixtures of benzo[k]fluoranthene (τ = 8 ns) and benzo[b]fluoranthene (τ = 29 ns) in ethanol. The EEMs of the individual components were extracted from mixture EEMs by means of wavelength component vector-gram (WCV) analysis. Phase resolution was found to be superior to steady-state measurements for extraction of the component spectra, for mixtures in which the intensity contributions from the two components are unequal

  16. A new pair of hard-soft plastic combination for precision manufacturing of two component plastic parts

    DEFF Research Database (Denmark)

    Islam, Aminul; Hansen, Hans Nørgaard; Marhöfer, David Maximilian

    2011-01-01

    the pressure developed inside the socket house and finally could detect the leak of the fluid due to the sealing ring leakage. All the test procedures and results presented in this paper can be a valuable source of information for researchers and scientists who work with two component micro injection moulding....... sequential and simultaneous injection of two materials and afterwards by using a precision tensile testing machine. To characterize the sealing properties of the sealing ring material, a sealing test device was developed. It could provide hydraulic pressure inside the socket house and precisely detect...

  17. Catalytic aromatization of methane.

    Science.gov (United States)

    Spivey, James J; Hutchings, Graham

    2014-02-07

    Recent developments in natural gas production technology have led to lower prices for methane and renewed interest in converting methane to higher value products. Processes such as those based on syngas from methane reforming are being investigated. Another option is methane aromatization, which produces benzene and hydrogen: 6CH4(g) → C6H6(g) + 9H2(g) ΔG°(r) = +433 kJ mol(-1) ΔH°(r) = +531 kJ mol(-1). Thermodynamic calculations for this reaction show that benzene formation is insignificant below ∼600 °C, and that the formation of solid carbon [C(s)] is thermodynamically favored at temperatures above ∼300 °C. Benzene formation is insignificant at all temperatures up to 1000 °C when C(s) is included in the calculation of equilibrium composition. Interestingly, the thermodynamic limitation on benzene formation can be minimized by the addition of alkanes/alkenes to the methane feed. By far the most widely studied catalysts for this reaction are Mo/HZSM-5 and Mo/MCM-22. Benzene selectivities are generally between 60 and 80% at methane conversions of ∼10%, corresponding to net benzene yields of less than 10%. Major byproducts include lower molecular weight hydrocarbons and higher molecular weight substituted aromatics. However, carbon formation is inevitable, but the experimental findings show this can be kinetically limited by the use of H2 or oxidants in the feed, including CO2 or steam. A number of reactor configurations involving regeneration of the carbon-containing catalyst have been developed with the goal of minimizing the cost of regeneration of the catalyst once deactivated by carbon deposition. In this tutorial review we discuss the thermodynamics of this process, the catalysts used and the potential reactor configurations that can be applied.

  18. Spin-orbit coupling calculations with the two-component normalized elimination of the small component method

    Science.gov (United States)

    Filatov, Michael; Zou, Wenli; Cremer, Dieter

    2013-07-01

    A new algorithm for the two-component Normalized Elimination of the Small Component (2cNESC) method is presented and tested in the calculation of spin-orbit (SO) splittings for a series of heavy atoms and their molecules. The 2cNESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac SO splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000), 10.1103/PhysRevB.62.7809]. The use of the screened nucleus potential for the two-electron SO interaction leads to accurate spinor energy splittings, for which the deviations from the accurate Dirac Fock-Coulomb values are on the average far below the deviations observed for other effective one-electron SO operators. For hydrogen halides HX (X = F, Cl, Br, I, At, and Uus) and mercury dihalides HgX2 (X = F, Cl, Br, I) trends in spinor energies and SO splittings as obtained with the 2cNESC method are analyzed and discussed on the basis of coupling schemes and the electronegativity of X.

  19. Lactoferricin B Inhibits the Phosphorylation of the Two-Component System Response Regulators BasR and CreB*

    Science.gov (United States)

    Ho, Yu-Hsuan; Sung, Tzu-Cheng; Chen, Chien-Sheng

    2012-01-01

    Natural antimicrobial peptides provide fundamental protection for multicellular organisms from microbes, such as Lactoferricin B (Lfcin B). Many studies have shown that Lfcin B penetrates the cell membrane and has intracellular activities. To elucidate the intracellular behavior of Lfcin B, we first used Escherichia coli K12 proteome chips to identify the intracellular targets of Lfcin B. The results showed that Lfcin B binds to two response regulators, BasR and CreB, of the two-component system. For further analysis, we conducted several in vitro and in vivo experiments and utilized bioinformatics methods. The electrophoretic mobility shift assays and kinase assays indicate that Lfcin B inhibits the phosphorylation of the response regulators (BasR and CreB) and their cognate sensor kinases (BasS and CreC). Antibacterial assays showed that Lfcin B reduced E. coli's tolerance to environmental stimuli, such as excessive ferric ions and minimal medium conditions. This is the first study to show that an antimicrobial peptide inhibits the growth of bacteria by influencing the phosphorylation of a two-component system directly. PMID:22138548

  20. Lactoferricin B inhibits the phosphorylation of the two-component system response regulators BasR and CreB.

    Science.gov (United States)

    Ho, Yu-Hsuan; Sung, Tzu-Cheng; Chen, Chien-Sheng

    2012-04-01

    Natural antimicrobial peptides provide fundamental protection for multicellular organisms from microbes, such as Lactoferricin B (Lfcin B). Many studies have shown that Lfcin B penetrates the cell membrane and has intracellular activities. To elucidate the intracellular behavior of Lfcin B, we first used Escherichia coli K12 proteome chips to identify the intracellular targets of Lfcin B. The results showed that Lfcin B binds to two response regulators, BasR and CreB, of the two-component system. For further analysis, we conducted several in vitro and in vivo experiments and utilized bioinformatics methods. The electrophoretic mobility shift assays and kinase assays indicate that Lfcin B inhibits the phosphorylation of the response regulators (BasR and CreB) and their cognate sensor kinases (BasS and CreC). Antibacterial assays showed that Lfcin B reduced E. coli's tolerance to environmental stimuli, such as excessive ferric ions and minimal medium conditions. This is the first study to show that an antimicrobial peptide inhibits the growth of bacteria by influencing the phosphorylation of a two-component system directly.

  1. How insects overcome two-component plant chemical defence: plant β-glucosidases as the main target for herbivore adaptation.

    Science.gov (United States)

    Pentzold, Stefan; Zagrobelny, Mika; Rook, Fred; Bak, Søren

    2014-08-01

    Insect herbivory is often restricted by glucosylated plant chemical defence compounds that are activated by plant β-glucosidases to release toxic aglucones upon plant tissue damage. Such two-component plant defences are widespread in the plant kingdom and examples of these classes of compounds are alkaloid, benzoxazinoid, cyanogenic and iridoid glucosides as well as glucosinolates and salicinoids. Conversely, many insects have evolved a diversity of counteradaptations to overcome this type of constitutive chemical defence. Here we discuss that such counter-adaptations occur at different time points, before and during feeding as well as during digestion, and at several levels such as the insects’ feeding behaviour, physiology and metabolism. Insect adaptations frequently circumvent or counteract the activity of the plant β-glucosidases, bioactivating enzymes that are a key element in the plant’s two-component chemical defence. These adaptations include host plant choice, non-disruptive feeding guilds and various physiological adaptations as well as metabolic enzymatic strategies of the insect’s digestive system. Furthermore, insect adaptations often act in combination, may exist in both generalists and specialists, and can act on different classes of defence compounds. We discuss how generalist and specialist insects appear to differ in their ability to use these different types of adaptations: in generalists, adaptations are often inducible, whereas in specialists they are often constitutive. Future studies are suggested to investigate in detail how insect adaptations act in combination to overcome plant chemical defences and to allow ecologically relevant conclusions.

  2. The YvfTU Two-component System is involved in plcR expression in Bacillus cereus

    Directory of Open Access Journals (Sweden)

    Nguyen-the Christophe

    2008-10-01

    Full Text Available Abstract Background Most extracellular virulence factors produced by Bacillus cereus are regulated by the pleiotropic transcriptional activator PlcR. Among strains belonging to the B. cereus group, the plcR gene is always located in the vicinity of genes encoding the YvfTU two-component system. The putative role of YvfTU in the expression of the PlcR regulon was therefore investigated. Results Expression of the plcR gene was monitored using a transcriptional fusion with a lacZ reporter gene in a yvfTU mutant and in its B. cereus ATCC 14579 parental strain. Two hours after the onset of the stationary phase, a stage at which the PlcR regulon is highly expressed, the plcR expression in the yvfTU mutant was only 50% of that of its parental strain. In addition to the reduced plcR expression in the yvfTU mutant, a few members of the PlcR regulon showed a differential expression, as revealed by transcriptomic and proteomic analyses. The virulence of the yvfTU mutant in a Galleria mellonella insect model was slightly lower than that of the parental strain. Conclusion The YvfTU two-component system is not required for the expression of most of the virulence factors belonging to the PlcR regulon. However, YvfTU is involved in expression of plcR, a major regulator of virulence in B. cereus.

  3. Many-body physics in two-component Bose–Einstein condensates in a cavity: fragmented superradiance and polarization

    Science.gov (United States)

    Lode, Axel U. J.; Diorico, Fritz S.; Wu, RuGway; Molignini, Paolo; Papariello, Luca; Lin, Rui; Lévêque, Camille; Exl, Lukas; Tsatsos, Marios C.; Chitra, R.; Mauser, Norbert J.

    2018-05-01

    We consider laser-pumped one-dimensional two-component bosons in a parabolic trap embedded in a high-finesse optical cavity. Above a threshold pump power, the photons that populate the cavity modify the effective atom trap and mediate a coupling between the two components of the Bose–Einstein condensate. We calculate the ground state of the laser-pumped system and find different stages of self-organization depending on the power of the laser. The modified potential and the laser-mediated coupling between the atomic components give rise to rich many-body physics: an increase of the pump power triggers a self-organization of the atoms while an even larger pump power causes correlations between the self-organized atoms—the BEC becomes fragmented and the reduced density matrix acquires multiple macroscopic eigenvalues. In this fragmented superradiant state, the atoms can no longer be described as two-level systems and the mapping of the system to the Dicke model breaks down.

  4. VfrB Is a Key Activator of the Staphylococcus aureus SaeRS Two-Component System.

    Science.gov (United States)

    Krute, Christina N; Rice, Kelly C; Bose, Jeffrey L

    2017-03-01

    In previous studies, we identified the fatty acid kinase virulence factor regulator B (VfrB) as a potent regulator of α-hemolysin and other virulence factors in Staphylococcus aureus In this study, we demonstrated that VfrB is a positive activator of the SaeRS two-component regulatory system. Analysis of vfrB , saeR , and saeS mutant strains revealed that VfrB functions in the same pathway as SaeRS. At the transcriptional level, the promoter activities of SaeRS class I ( coa ) and class II ( hla ) target genes were downregulated during the exponential growth phase in the vfrB mutant, compared to the wild-type strain. In addition, saePQRS expression was decreased in the vfrB mutant strain, demonstrating a need for this protein in the autoregulation of SaeRS. The requirement for VfrB-mediated activation was circumvented when SaeS was constitutively active due to an SaeS (L18P) substitution. Furthermore, activation of SaeS via human neutrophil peptide 1 (HNP-1) overcame the dependence on VfrB for transcription from class I Sae promoters. Consistent with the role of VfrB in fatty acid metabolism, hla expression was decreased in the vfrB mutant with the addition of exogenous myristic acid. Lastly, we determined that aspartic acid residues D38 and D40, which are predicted to be key to VfrB enzymatic activity, were required for VfrB-mediated α-hemolysin production. Collectively, this study implicates VfrB as a novel accessory protein needed for the activation of SaeRS in S. aureus IMPORTANCE The SaeRS two-component system is a key regulator of virulence determinant production in Staphylococcus aureus Although the regulon of this two-component system is well characterized, the activation mechanisms, including the specific signaling molecules, remain elusive. Elucidating the complex regulatory circuit of SaeRS regulation is important for understanding how the system contributes to disease causation by this pathogen. To this end, we have identified the fatty acid kinase

  5. Influence of electron-phonon interaction on soliton mediated spin-charge conversion effects in two-component polymer model

    International Nuclear Information System (INIS)

    Sergeenkov, S.; Moraes, F.; Furtado, C.; Araujo-Moreira, F.M.

    2010-01-01

    By mapping a Hubbard-like model describing a two-component polymer in the presence of strong enough electron-phonon interactions (κ) onto the system of two coupled nonlinear Schroedinger equations with U(2) symmetry group, some nontrivial correlations between topological solitons mediated charge Q and spin S degrees of freedom are obtained. Namely, in addition to a charge fractionalization and reentrant like behavior of both Q(κ) and S(κ), the model also predicts a decrease of soliton velocity with κ as well as spin-charge conversion effects which manifest themselves through an explicit S(Q,Ω) dependence (with Ω being a mixing angle between spin-up and spin-down electron amplitudes). A possibility to observe the predicted effects in low-dimensional systems with charge and spin soliton carriers is discussed.

  6. Droplet size and velocity at the exit of a nozzle with two-component near critical and critical flow

    International Nuclear Information System (INIS)

    Lemonnier, H.; Camelo-Cavalcanti, E.S.

    1993-01-01

    Two-component critical flow modelling is an important issue for safety studies of various hazardous industrial activities. When the flow quality is high, the critical flow rate prediction is sensitive to the modelling of gas droplet mixture interfacial area. In order to improve the description of these flows, experiments were conducted with air-water flows in converging nozzles. The pressure was 2 and 4 bar and the gas mass quality ranged between 100% and 20%. The droplets size and velocity have been measured close to the outlet section of a nozzle with a 10 mm diameter throat. Subcritical and critical conditions were observed. These data are compared with the predictions of a critical flow model which includes an interfacial area model based on the classical ideas of Hinze and Kolmogorov. (authors). 9 figs., 12 refs

  7. Simple Analytical Forms of the Perpendicular Diffusion Coefficient for Two-component Turbulence. III. Damping Model of Dynamical Turbulence

    Energy Technology Data Exchange (ETDEWEB)

    Gammon, M.; Shalchi, A., E-mail: andreasm4@yahoo.com [Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba R3T 2N2 (Canada)

    2017-10-01

    In several astrophysical applications one needs analytical forms of cosmic-ray diffusion parameters. Some examples are studies of diffusive shock acceleration and solar modulation. In the current article we explore perpendicular diffusion based on the unified nonlinear transport theory. While we focused on magnetostatic turbulence in Paper I, we included the effect of dynamical turbulence in Paper II of the series. In the latter paper we assumed that the temporal correlation time does not depend on the wavenumber. More realistic models have been proposed in the past, such as the so-called damping model of dynamical turbulence. In the present paper we derive analytical forms for the perpendicular diffusion coefficient of energetic particles in two-component turbulence for this type of time-dependent turbulence. We present new formulas for the perpendicular diffusion coefficient and we derive a condition for which the magnetostatic result is recovered.

  8. ResDE Two-Component Regulatory System Mediates Oxygen Limitation-Induced Biofilm Formation by Bacillus amyloliquefaciens SQR9.

    Science.gov (United States)

    Zhou, Xuan; Zhang, Nan; Xia, Liming; Li, Qing; Shao, Jiahui; Shen, Qirong; Zhang, Ruifu

    2018-04-15

    Efficient biofilm formation and root colonization capabilities facilitate the ability of beneficial plant rhizobacteria to promote plant growth and antagonize soilborne pathogens. Biofilm formation by plant-beneficial Bacillus strains is triggered by environmental cues, including oxygen deficiency, but the pathways that sense these environmental signals and regulate biofilm formation have not been thoroughly elucidated. In this study, we showed that the ResDE two-component regulatory system in the plant growth-promoting rhizobacterium Bacillus amyloliquefaciens strain SQR9 senses the oxygen deficiency signal and regulates biofilm formation. ResE is activated by sensing the oxygen limitation-induced reduction of the NAD + /NADH pool through its PAS domain, stimulating its kinase activity, and resulting in the transfer of a phosphoryl group to ResD. The phosphorylated ResD directly binds to the promoter regions of the qoxABCD and ctaCDEF operons to improve the biosynthesis of terminal oxidases, which can interact with KinB to activate biofilm formation. These results not only revealed the novel regulatory function of the ResDE two-component system but also contributed to the understanding of the complicated regulatory network governing Bacillus biofilm formation. This research may help to enhance the root colonization and the plant-beneficial efficiency of SQR9 and other Bacillus rhizobacteria used in agriculture. IMPORTANCE Bacillus spp. are widely used as bioinoculants for plant growth promotion and disease suppression. The exertion of their plant-beneficial functions is largely dependent on their root colonization, which is closely related to their biofilm formation capabilities. On the other hand, Bacillus is the model bacterium for biofilm study, and the process and molecular network of biofilm formation are well characterized (B. Mielich-Süss and D. Lopez, Environ Microbiol 17:555-565, 2015, https://doi.org/10.1111/1462-2920.12527; L. S. Cairns, L. Hobley, and

  9. The two-component system VicRK regulates functions associated with Streptococcus mutans resistance to complement immunity.

    Science.gov (United States)

    Alves, Livia A; Harth-Chu, Erika N; Palma, Thais H; Stipp, Rafael N; Mariano, Flávia S; Höfling, José F; Abranches, Jacqueline; Mattos-Graner, Renata O

    2017-10-01

    Streptococcus mutans, a dental caries pathogen, can promote systemic infections upon reaching the bloodstream. The two-component system (TCS) VicRK Sm of S. mutans regulates the synthesis of and interaction with sucrose-derived exopolysaccharides (EPS), processes associated with oral and systemic virulence. In this study, we investigated the mechanisms by which VicRK Sm affects S. mutans susceptibility to blood-mediated immunity. Compared with parent strain UA159, the vicK Sm isogenic mutant (UAvic) showed reduced susceptibility to deposition of C3b of complement, low binding to serum immunoglobulin G (IgG), and low frequency of C3b/IgG-mediated opsonophagocytosis by polymorphonuclear cells in a sucrose-independent way (Pmutans employs mechanisms of complement evasion through peptidases, which are controlled by VicRK Sm. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  10. Genome-wide DNA binding pattern of two-component system response regulator RhpR in Pseudomonas syringae

    Directory of Open Access Journals (Sweden)

    Tianhong Zhou

    2015-06-01

    Full Text Available Although Pseudomonas syringae uses the two-component system RhpRS to modulate the expression of type III secretion system (T3SS genes and pathogenicity, the molecular mechanisms and the regulon of RhpRS have yet to be fully demonstrated. We have performed a genome-wide analysis of RhpR binding to DNA prepared from P. syringae pv. phaseolicola in order to identify candidate direct targets of RhpR-mediated transcriptional regulation, as described in our recent article [1]. The data are available from NCBI Gene Expression Omnibus (GEO with the accession number GSE58533. Here we describe the detailed methods and data analyses of our RhpR ChIP-seq dataset.

  11. Dynamics of trapped two-component Fermi gas: Temperature dependence of the transition from collisionless to collisional regime

    International Nuclear Information System (INIS)

    Toschi, F.; Vignolo, P.; Tosi, M.P.; Succi, S.

    2003-01-01

    We develop a numerical method to study the dynamics of a two-component atomic Fermi gas trapped inside a harmonic potential at temperature T well below the Fermi temperature T F . We examine the transition from the collisionless to the collisional regime down to T=0.2 T F and find a good qualitative agreement with the experiments of B. DeMarco and D.S. Jin [Phys. Rev. Lett. 88, 040405 (2002)]. We demonstrate a twofold role of temperature on the collision rate and on the efficiency of collisions. In particular, we observe a hitherto unreported effect, namely, the transition to hydrodynamic behavior is shifted towards lower collision rates as temperature decreases

  12. Three-body recombination of two-component cold atomic gases into deep dimers in an optical model

    DEFF Research Database (Denmark)

    Mikkelsen, Mathias; Jensen, A. S.; Fedorov, D. V.

    2015-01-01

    to the decay rate or recombination probability of the three-body system. The method is formulated in details and the relevant qualitative features are discussed as functions of scattering lengths and masses. We use zero-range model in analyses of recent recombination data. The dominating scattering length......We consider three-body recombination into deep dimers in a mass-imbalanced two-component atomic gas. We use an optical model where a phenomenological imaginary potential is added to the lowest adiabatic hyper-spherical potential. The consequent imaginary part of the energy eigenvalue corresponds...... is usually related to the non-equal two-body systems. We account for temperature smearing which tends to wipe out the higher-lying Efimov peaks. The range and the strength of the imaginary potential determine positions and shapes of the Efimov peaks as well as the absolute value of the recombination rate...

  13. Temperature-controlled structure and kinetics of ripple phases in one- and two-component supported lipid bilayers

    DEFF Research Database (Denmark)

    Kaasgaard, Thomas; Leidy, Chad; Crowe, J.H.

    2003-01-01

    Temperature-controlled atomic force microscopy (AFM) has been used to visualize and study the structure and kinetics of ripple phases in one-component dipalmitoylphosphaticlylcholine (DPPC) and two-component dimyristoylphosphatidylcholine-distearoylphosphatidylcholine (DMPC-DSPC) lipid bilayers....... The lipid bilayers are mica-supported double bilayers in which ripple-phase formation occurs in the top bilayer. In one-component DPPC lipid bilayers, the stable and metastable ripple phases were observed. In addition, a third ripple structure with approximately twice the wavelength of the metastable...... ripples was seen. From height profiles of the AFM images, estimates of the amplitudes of the different ripple phases are reported. To elucidate the processes of ripple formation and disappearance, a ripple-phase DPPC lipid bilayer was taken through the pretransition in the cooling and the heating...

  14. Critical point of gas-liquid type phase transition and phase equilibrium functions in developed two-component plasma model.

    Science.gov (United States)

    Butlitsky, M A; Zelener, B B; Zelener, B V

    2014-07-14

    A two-component plasma model, which we called a "shelf Coulomb" model has been developed in this work. A Monte Carlo study has been undertaken to calculate equations of state, pair distribution functions, internal energies, and other thermodynamics properties. A canonical NVT ensemble with periodic boundary conditions was used. The motivation behind the model is also discussed in this work. The "shelf Coulomb" model can be compared to classical two-component (electron-proton) model where charges with zero size interact via a classical Coulomb law. With important difference for interaction of opposite charges: electrons and protons interact via the Coulomb law for large distances between particles, while interaction potential is cut off on small distances. The cut off distance is defined by an arbitrary ɛ parameter, which depends on system temperature. All the thermodynamics properties of the model depend on dimensionless parameters ɛ and γ = βe(2)n(1/3) (where β = 1/kBT, n is the particle's density, kB is the Boltzmann constant, and T is the temperature) only. In addition, it has been shown that the virial theorem works in this model. All the calculations were carried over a wide range of dimensionless ɛ and γ parameters in order to find the phase transition region, critical point, spinodal, and binodal lines of a model system. The system is observed to undergo a first order gas-liquid type phase transition with the critical point being in the vicinity of ɛ(crit) ≈ 13(T(*)(crit) ≈ 0.076), γ(crit) ≈ 1.8(v(*)(crit) ≈ 0.17), P(*)(crit) ≈ 0.39, where specific volume v* = 1/γ(3) and reduced temperature T(*) = ɛ(-1).

  15. Characterization of virulence factor regulation by SrrAB, a two-component system in Staphylococcus aureus.

    Science.gov (United States)

    Pragman, Alexa A; Yarwood, Jeremy M; Tripp, Timothy J; Schlievert, Patrick M

    2004-04-01

    Workers in our laboratory have previously identified the staphylococcal respiratory response AB (SrrAB), a Staphylococcus aureus two-component system that acts in the global regulation of virulence factors. This system down-regulates production of agr RNAIII, protein A, and toxic shock syndrome toxin 1 (TSST-1), particularly under low-oxygen conditions. In this study we investigated the localization and membrane orientation of SrrA and SrrB, transcription of the srrAB operon, the DNA-binding properties of SrrA, and the effect of SrrAB expression on S. aureus virulence. We found that SrrA is localized to the S. aureus cytoplasm, while SrrB is localized to the membrane and is properly oriented to function as a histidine kinase. srrAB has one transcriptional start site which results in either an srrA transcript or a full-length srrAB transcript; srrB must be cotranscribed with srrA. Gel shift assays of the agr P2, agr P3, protein A (spa), TSST-1 (tst), and srr promoters revealed SrrA binding at each of these promoters. Analysis of SrrAB-overexpressing strains by using the rabbit model of bacterial endocarditis demonstrated that overexpression of SrrAB decreased the virulence of the organisms compared to the virulence of isogenic strains that do not overexpress SrrAB. We concluded that SrrAB is properly localized and oriented to function as a two-component system. Overexpression of SrrAB, which represses agr RNAIII, TSST-1, and protein A in vitro, decreases virulence in the rabbit endocarditis model. Repression of these virulence factors is likely due to a direct interaction between SrrA and the agr, tst, and spa promoters.

  16. Thusin, a novel two-component lantibiotic with potent antimicrobial activity against several Gram-positive pathogens

    Directory of Open Access Journals (Sweden)

    Bingyue Xin

    2016-07-01

    Full Text Available Due to the rapidly increasing prevalence of multidrug-resistant bacterial strains, the need for new antimicrobial drugs to treat infections has become urgent. Bacteriocins, which are antimicrobial peptides of bacterial origin, are considered potential alternatives to conventional antibiotics and have attracted widespread attention in recent years. Among these bacteriocins, lantibiotics, especially two-component lantibiotics, exhibit potent antimicrobial activity against some clinically relevant Gram-positive pathogens and have potential applications in the pharmaceutical industry. In this study, we characterized a novel two-component lantibiotic termed thusin that consists of Thsα, Thsβ and Thsβ' (mutation of Thsβ, A14G and that was isolated from a B. thuringiensis strain BGSC 4BT1. Thsα and Thsβ (or Thsβ' exhibit optimal antimicrobial activity at a 1:1 ratio and act sequentially to affect target cells, and they are all highly thermostable (100°C for 30 min and pH tolerant (pH 2.0 to 9.0. Thusin shows remarkable efficacy against all tested Gram-positive bacteria and greater activities than two known lantibiotics thuricin 4A-4 and ticin A4, and one antibiotic vancomycin against various bacterial pathogens (Bacillus cereus, Listeria monocytogenes, Staphylococcus aureus (MRSA, Staphylococcus sciuri, Enterococcus faecalis, and Streptococcus pneumoniae. Moreover, thusin is also able to inhibit the outgrowth of Bacillus cereus spores. The potent antimicrobial activity of thusin against some Gram-positive pathogens indicates that it has potential for the development of new drugs.

  17. Advances towards aromatic oligoamide foldamers

    DEFF Research Database (Denmark)

    Hjelmgaard, Thomas; Plesner, Malene; Dissing, Mette Marie

    2014-01-01

    We have efficiently synthesized 36 arylopeptoid dimers with ortho-, meta-, and para-substituted aromatic backbones and tert-butyl or phenyl side chains. The dimers were synthesized by using a "submonomer method" on solid phase, by applying a simplified common set of reaction conditions. X......-ray crystallographic analysis of two of these dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a comparatively more closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation with a more open, extended structure...... of the surrounding aromatic backbone. Investigation of the X-ray structures of two arylopeptoid dimers disclosed that the tert-butyl side chain invokes a cis amide conformation with a closely packed structure of the surrounding aromatic backbone while the phenyl side chain results in a trans amide conformation...

  18. Three-dimensional aromatic networks.

    Science.gov (United States)

    Toyota, Shinji; Iwanaga, Tetsuo

    2014-01-01

    Three-dimensional (3D) networks consisting of aromatic units and linkers are reviewed from various aspects. To understand principles for the construction of such compounds, we generalize the roles of building units, the synthetic approaches, and the classification of networks. As fundamental compounds, cyclophanes with large aromatic units and aromatic macrocycles with linear acetylene linkers are highlighted in terms of transannular interactions between aromatic units, conformational preference, and resolution of chiral derivatives. Polycyclic cage compounds are constructed from building units by linkages via covalent bonds, metal-coordination bonds, or hydrogen bonds. Large cage networks often include a wide range of guest species in their cavity to afford novel inclusion compounds. Topological isomers consisting of two or more macrocycles are formed by cyclization of preorganized species. Some complicated topological networks are constructed by self-assembly of simple building units.

  19. Bioassay of polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Van Kirk, E.A.

    1980-08-01

    A positive relationship was found between the photodynamic activity of 24 polycyclic aromatic hydrocarbons versus published results on the mutagenicity, carcinogenicity, and initiation of unscheduled DNA synthesis. Metabolic activation of benzo(a)pyrene resulted in detection of increased mutagenesis in Paramecium tetraurelia as found also in the Ames Salmonella assay. The utility of P. tetraurelia as a biological detector of hazardous polycyclic aromatic hydrocarbons is discussed.

  20. Polycyclic Aromatic Hydrocarbons

    Science.gov (United States)

    Salama, Farid

    2010-01-01

    Carbonaceous materials play an important role in space. Polycyclic Aromatic Hydrocarbons (PAHs) are a ubiquitous component of the carbonaceous materials. PAHs are the best-known candidates to account for the IR emission bands. They are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge is to reproduce in the laboratory the physical conditions that exist in the emission and absorption interstellar zones. The harsh physical conditions of the ISM -low temperature, collisionless, strong UV radiation fields- are simulated in the laboratory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions and radicals are formed from the neutral precursors in an isolated environment at low temperature and probed with high-sensitivity cavity ringdown spectroscopy in the NUV-NIR range. Carbon nanoparticles are also formed during the short residence time of the precursors in the plasma and are characterized with time-offlight mass spectrometry. These experiments provide unique information on the spectra of large carbonaceous molecules and ions in the gas phase that can now be directly compared to interstellar and circumstellar observations (IR emission bands, DIBs, extinction curve). These findings also hold great potential for understanding the formation process of interstellar carbonaceous grains. We will review recent progress in the experimental and theoretical studies of PAHs, compare the laboratory data with astronomical observations and discuss the global implications.

  1. Convergence of PASTA kinase and two-component signaling in response to cell wall stress in Enterococcus faecalis.

    Science.gov (United States)

    Kellogg, Stephanie L; Kristich, Christopher J

    2018-04-09

    Two common signal transduction mechanisms used by bacteria to sense and respond to changing environments are two-component systems (TCSs) and eukaryotic-like Ser/Thr kinases and phosphatases (eSTK/Ps). Enterococcus faecalis is a Gram-positive bacterium and serious opportunistic pathogen that relies on both a TCS and an eSTK/P pathway for intrinsic resistance to cell wall-targeting antibiotics. The TCS consists of a histidine kinase (CroS) and response regulator (CroR) that become activated upon exposure of cells to cell wall-targeting antibiotics, leading to modulation of gene expression. The eSTK/P pathway consists of a transmembrane kinase (IreK) and its cognate phosphatase (IreP), which act antagonistically to mediate antibiotic resistance through an unknown mechanism. Because both CroS/R and IreK/P contribute to enterococcal resistance towards cell wall-targeting antibiotics, we hypothesized these signaling systems are intertwined. To test this hypothesis, we analyzed CroR phosphorylation and CroS/R-dependent gene expression to probe the influence of IreK and IreP on CroS/R signaling. In addition, we analyzed the phosphorylation state of CroS which revealed IreK-dependent phosphorylation of a Thr residue important for CroS function. Our results are consistent with a model in which IreK positively influences CroR-dependent gene expression through phosphorylation of CroS to promote antimicrobial resistance in E. faecalis Importance Two-component signaling systems (TCSs) and eukaryotic-like Ser/Thr kinases (eSTKs) are used by bacteria to sense and adapt to changing environments. Understanding how these pathways are regulated to promote bacterial survival is critical for a more complete understanding of bacterial stress responses and physiology. The opportunistic pathogen Enterococcus faecalis relies on both a TCS (CroS/R) and an eSTK (IreK) for intrinsic resistance to cell wall-targeting antibiotics. We probed the relationship between CroS/R and IreK, revealing

  2. Bacterial degradation of monocyclic aromatic amines

    Directory of Open Access Journals (Sweden)

    Pankaj Kumar Arora

    2015-08-01

    Full Text Available Aromatic amines are an important group of industrial chemicals, which are widely used for manufacturing of dyes, pesticides, drugs, pigments, and other industrial products. These compounds have been considered highly toxic to human beings due to their carcinogenic nature. Three groups of aromatic amines have been recognized: monocyclic, polycyclic and heterocyclic aromatic amines. Bacterial degradation of several monocyclic aromatic compounds has been studied in a variety of bacteria, which utilizes monocyclic aromatic amines as their sole source of carbon and energy. Several degradation pathways have been proposed and the related enzymes and genes have also been characterized. Many reviews have been reviewed toxicity of monocyclic aromatic amines; however, there is lack of review on biodegradation of monocyclic aromatic amines. The aim of this review is to summarize bacterial degradation of monocyclic aromatic amines. This review will increase our current understanding of biochemical and molecular basis of bacterial degradation of monocyclic aromatic amines.

  3. Preparation and properties of high storage stability polyester polyol dispersion for two-component waterborne polyurethane coating

    Science.gov (United States)

    Hao, H.; Hu, J. Q.; Wang, F.; Tu, W. P.

    2017-01-01

    A new type of polyester polyol dispersion with good storage stability was prepared based on a hydrophilic monomer 5-sodium sulfodimethyl isophthalate (5-SIPM), and frequently-used monomers such as neopentyl glycol (NPG), dimethyl terephthalate (DMT), dimethyl phthalate (DMP) and trimethylolpropane (TMP) by the transpolycondensation and polycondensation method. The polyester polyol dispersion was characterized by FTIR and GPC. The proper content of these monomers were determined by the performance of polyester dispersion: the content of TMP was 15wt%, the content of NPG was 7.5wt% and the hydrophilic monomer 5-SIPM content was 5wt%. Two-component waterborne polyurethane (2K-WPU) coatings were prepared by Bayhydur® XP2487/1 and polyester polyol dispersions, which were stored before and after at 40 ° for 6 weeks, the prepared films have no differences in drying time, adhesion, pencil hardness, gloss and chemical resistance, the result also reveals that the polyester polyol dispersion have excellent storage stability resistance.

  4. Application of two component biodegradable carriers in a particle-fixed biofilm airlift suspension reactor: development and structure of biofilms.

    Science.gov (United States)

    Hille, Andrea; He, Mei; Ochmann, Clemens; Neu, Thomas R; Horn, Harald

    2009-01-01

    Two component biodegradable carriers for biofilm airlift suspension (BAS) reactors were investigated with respect to development of biofilm structure and oxygen transport inside the biofilm. The carriers were composed of PHB (polyhydroxybutyrate), which is easily degradable and PCL (caprolactone), which is less easily degradable by heterotrophic microorganisms. Cryosectioning combined with classical light microscopy and CLSM was used to identify the surface structure of the carrier material over a period of 250 days of biofilm cultivation in an airlift reactor. Pores of 50 to several hundred micrometers depth are formed due to the preferred degradation of PHB. Furthermore, microelectrode studies show the transport mechanism for different types of biofilm structures, which were generated under different substrate conditions. At high loading rates, the growth of a rather loosely structured biofilm with high penetration depths of oxygen was found. Strong changes of substrate concentration during fed-batch mode operation of the reactor enhance the growth of filamentous biofilms on the carriers. Mass transport in the outer regions of such biofilms was mainly driven by advection.

  5. Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians

    Energy Technology Data Exchange (ETDEWEB)

    Helmich-Paris, Benjamin, E-mail: b.helmichparis@vu.nl; Visscher, Lucas, E-mail: l.visscher@vu.nl [Section of Theoretical Chemistry, VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Repisky, Michal, E-mail: michal.repisky@uit.no [CTCC, Department of Chemistry, UIT The Arctic University of Norway, N-9037 Tromø (Norway)

    2016-07-07

    We present a formulation of Laplace-transformed atomic orbital-based second-order Møller–Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate the effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.

  6. Calculations of atomic magnetic nuclear shielding constants based on the two-component normalized elimination of the small component method

    Science.gov (United States)

    Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

    2017-04-01

    A new method for calculating nuclear magnetic resonance shielding constants of relativistic atoms based on the two-component (2c), spin-orbit coupling including Dirac-exact NESC (Normalized Elimination of the Small Component) approach is developed where each term of the diamagnetic and paramagnetic contribution to the isotropic shielding constant σi s o is expressed in terms of analytical energy derivatives with regard to the magnetic field B and the nuclear magnetic moment 𝝁 . The picture change caused by renormalization of the wave function is correctly described. 2c-NESC/HF (Hartree-Fock) results for the σiso values of 13 atoms with a closed shell ground state reveal a deviation from 4c-DHF (Dirac-HF) values by 0.01%-0.76%. Since the 2-electron part is effectively calculated using a modified screened nuclear shielding approach, the calculation is efficient and based on a series of matrix manipulations scaling with (2M)3 (M: number of basis functions).

  7. Drift effect and "negative" mass transport in an inhomogeneous medium: limiting case of a two-component lattice gas.

    Science.gov (United States)

    Lukyanets, Sergei P; Kliushnychenko, Oleksandr V

    2010-11-01

    The mass transport in an inhomogeneous medium is modeled as the limiting case of a two-component lattice gas with excluded volume constraint and one of the components fixed. In the long-wavelength approximation, the density relaxation of mobile particles is governed by diffusion and interaction with a medium inhomogeneity represented by the static component distribution. It is shown that the density relaxation can be locally accompanied by density distribution compression, i.e., the local mass transport directed from low-to high-density regions. The origin of such a "negative" mass transport is shown to be associated with the presence of a stationary drift flow defined by the medium inhomogeneity. In the quasi-one-dimensional case, the compression dynamics manifests itself in the hoppinglike motion of packet front position of diffusing substance due to staged passing through inhomogeneity barriers, and it leads to fragmentation of the packet and retardation of its spreading. The root-mean-square displacement reflects only the averaged packet front dynamics and becomes inappropriate as the transport characteristic in this regime. In the stationary case, the mass transport throughout the whole system may be directed from the boundary with lower concentration towards the boundary with higher concentration. Implications of the excluded volume constraint and particle distinguishability for these effects are discussed.

  8. Gene expression of a two-component regulatory system associated with sunscreen biosynthesis in the cyanobacterium Nostoc punctiforme ATCC 29133.

    Science.gov (United States)

    Janssen, Jacob; Soule, Tanya

    2016-01-01

    Long-wavelength ultraviolet radiation (UVA) can damage cells through photooxidative stress, leading to harmful photosensitized proteins and pigments in cyanobacteria. To mitigate damage, some cyanobacteria secrete the UVA-absorbing pigment scytonemin into their extracellular sheath. Comparative genomic analyses suggest that scytonemin biosynthesis is regulated by the two-component regulatory system (TCRS) proteins encoded by Npun_F1277 and Npun_F1278 in the cyanobacterium Nostoc punctiforme ATCC 29133. To understand the dynamics of these genes, their expression was measured following exposure to UVA, UVB, high visible (VIS) irradiance and oxidative stress for 20, 40 and 60 min. Overall, both genes had statistically similar patterns of expression for all four conditions and were generally upregulated, except for those exposed to UVB by 60 min and for the cells under oxidative stress. The greatest UVA response was an upregulation by 20 min, while the response to UVB was the most dramatic and persisted through 40 min. High VIS irradiance resulted in a modest upregulation, while oxidative stress caused a slight downregulation. Both genes were also found to occur on the same transcript. These results demonstrate that these genes are positively responding to several light-associated conditions, which suggests that this TCRS may regulate more than just scytonemin biosynthesis under UVA stress. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  9. Laplace-transformed atomic orbital-based Møller–Plesset perturbation theory for relativistic two-component Hamiltonians

    International Nuclear Information System (INIS)

    Helmich-Paris, Benjamin; Visscher, Lucas; Repisky, Michal

    2016-01-01

    We present a formulation of Laplace-transformed atomic orbital-based second-order Møller–Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate the effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.

  10. Phosphorescence lifetimes of organic light-emitting diodes from two-component time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Kühn, Michael [Institut für Physikalische Chemie, Karlsruher Institut für Technologie, Kaiserstraße 12, 76131 Karlsruhe (Germany); Weigend, Florian, E-mail: florian.weigend@kit.edu [Institut für Physikalische Chemie, Karlsruher Institut für Technologie, Kaiserstraße 12, 76131 Karlsruhe (Germany); Institut für Nanotechnologie, Karlsruher Institut für Technologie, Postfach 3640, 76021 Karlsruhe (Germany)

    2014-12-14

    “Spin-forbidden” transitions are calculated for an eight-membered set of iridium-containing candidate molecules for organic light-emitting diodes (OLEDs) using two-component time-dependent density functional theory. Phosphorescence lifetimes (obtained from averaging over relevant excitations) are compared to experimental data. Assessment of parameters like non-distorted and distorted geometric structures, density functionals, relativistic Hamiltonians, and basis sets was done by a thorough study for Ir(ppy){sub 3} focussing not only on averaged phosphorescence lifetimes, but also on the agreement of the triplet substate structure with experimental data. The most favorable methods were applied to an eight-membered test set of OLED candidate molecules; Boltzmann-averaged phosphorescence lifetimes were investigated concerning the convergence with the number of excited states and the changes when including solvent effects. Finally, a simple model for sorting out molecules with long averaged phosphorescence lifetimes is developed by visual inspection of computationally easily achievable one-component frontier orbitals.

  11. A conserved two-component signal transduction system controls the response to phosphate starvation in Bifidobacterium breve UCC2003.

    Science.gov (United States)

    Alvarez-Martin, Pablo; Fernández, Matilde; O'Connell-Motherway, Mary; O'Connell, Kerry Joan; Sauvageot, Nicolas; Fitzgerald, Gerald F; MacSharry, John; Zomer, Aldert; van Sinderen, Douwe

    2012-08-01

    This work reports on the identification and molecular characterization of the two-component regulatory system (2CRS) PhoRP, which controls the response to inorganic phosphate (P(i)) starvation in Bifidobacterium breve UCC2003. The response regulator PhoP was shown to bind to the promoter region of pstSCAB, specifying a predicted P(i) transporter system, as well as that of phoU, which encodes a putative P(i)-responsive regulatory protein. This interaction is assumed to cause transcriptional modulation under conditions of P(i) limitation. Our data suggest that the phoRP genes are subject to positive autoregulation and, together with pstSCAB and presumably phoU, represent the complete regulon controlled by the phoRP-encoded 2CRS in B. breve UCC2003. Determination of the minimal PhoP binding region combined with bioinformatic analysis revealed the probable recognition sequence of PhoP, designated here as the PHO box, which together with phoRP is conserved among many high-GC-content Gram-positive bacteria. The importance of the phoRP 2CRS in the response of B. breve to P(i) starvation conditions was confirmed by analysis of a B. breve phoP insertion mutant which exhibited decreased growth under phosphate-limiting conditions compared to its parent strain UCC2003.

  12. Functionalization of PDMS modified and plasma activated two-component polyurethane coatings by surface attachment of enzymes

    International Nuclear Information System (INIS)

    Kreider, Alexej; Richter, Katharina; Sell, Stephan; Fenske, Mandus; Tornow, Christian; Stenzel, Volkmar; Grunwald, Ingo

    2013-01-01

    This article describes a new strategy for coupling the enzyme horseradish peroxidase to a two-component polyurethane (2C-PUR) coating. A stable polymer conjugate was achieved by combining the enzyme and the 2C-PUR coating which was modified with poly(dimethylsiloxane) (PDMS), located at the surface. An atmospheric pressure plasma jet system was used to convert alkyl groups from the PDMS into polar silanol functionalities. This conversion was proven by X-ray photoelectron spectroscopy and dynamic contact angle measurements. In addition, the stability of the activated 2C-PUR surface containing silanol groups was determined by measuring the contact angle as a function of time. Compared to the non-modified 2C-PUR systems the one with PDMS displayed a higher stability over a time period over 28 h. In a silanization process the coating was treated with (3-aminopropyl) trimethoxysilane and the enzyme was subsequently immobilized to the coating via the cross linker glutaraldehyde to receive new biomimetic catalytic/enzymatic functions. The chemical immobilization (chemisorption) of the enzyme to the surface showed statistically significant higher biological activity as compared to references samples without using a cross linker (physisorption). The presented technique offers the opportunity to design new and smart multifunctional surface coatings which employ biomimetic capabilities.

  13. A two-component wave equation for particles of spin 1/2 and non-zero rest mass

    International Nuclear Information System (INIS)

    Srivastava, T.

    1981-11-01

    We have discussed here the qualifications of the equation (delta 0 +sigmasup(k)deltasub(k))psi = -kappaTpsi, where deltasub(μ) is identical to delta/deltaxsup(μ), sigmasup(k) are the Pauli spin matrices, T is the linear operator which changes the sign of t, kappa=m 0 c/(h/2π) and psi a function with two components, as a suitable wave equation for a spin 1/2 particle with non-zero rest mass. We have established that both components of all its solutions satisfy the Klein-Gordon equation and that a 1-1 correspondence can be set up between its solutions and the positive energy solutions of the Dirac equation which preserves inner products (suitably defined for our case). We have then gone on to show covariance under transformations of the proper Lorentz group as also under space and time inversions and translations. Eigenfunctions of energy-momentum and spin have been explicitly found and it is shown that causality is preserved and a Green's function exists. A list appears, at the end, of points to be discussed in Part II of this paper, points which, it is hoped, will complete the acceptability of the theory. (author)

  14. The PhoBR two-component system regulates antibiotic biosynthesis in Serratia in response to phosphate

    Science.gov (United States)

    2009-01-01

    Background Secondary metabolism in Serratia sp. ATCC 39006 (Serratia 39006) is controlled via a complex network of regulators, including a LuxIR-type (SmaIR) quorum sensing (QS) system. Here we investigate the molecular mechanism by which phosphate limitation controls biosynthesis of two antibiotic secondary metabolites, prodigiosin and carbapenem, in Serratia 39006. Results We demonstrate that a mutation in the high affinity phosphate transporter pstSCAB-phoU, believed to mimic low phosphate conditions, causes upregulation of secondary metabolism and QS in Serratia 39006, via the PhoBR two-component system. Phosphate limitation also activated secondary metabolism and QS in Serratia 39006. In addition, a pstS mutation resulted in upregulation of rap. Rap, a putative SlyA/MarR-family transcriptional regulator, shares similarity with the global regulator RovA (regulator of virulence) from Yersina spp. and is an activator of secondary metabolism in Serratia 39006. We demonstrate that expression of rap, pigA-O (encoding the prodigiosin biosynthetic operon) and smaI are controlled via PhoBR in Serratia 39006. Conclusion Phosphate limitation regulates secondary metabolism in Serratia 39006 via multiple inter-linked pathways, incorporating transcriptional control mediated by three important global regulators, PhoB, SmaR and Rap. PMID:19476633

  15. The PhoBR two-component system regulates antibiotic biosynthesis in Serratia in response to phosphate

    Directory of Open Access Journals (Sweden)

    Everson Lee

    2009-05-01

    Full Text Available Abstract Background Secondary metabolism in Serratia sp. ATCC 39006 (Serratia 39006 is controlled via a complex network of regulators, including a LuxIR-type (SmaIR quorum sensing (QS system. Here we investigate the molecular mechanism by which phosphate limitation controls biosynthesis of two antibiotic secondary metabolites, prodigiosin and carbapenem, in Serratia 39006. Results We demonstrate that a mutation in the high affinity phosphate transporter pstSCAB-phoU, believed to mimic low phosphate conditions, causes upregulation of secondary metabolism and QS in Serratia 39006, via the PhoBR two-component system. Phosphate limitation also activated secondary metabolism and QS in Serratia 39006. In addition, a pstS mutation resulted in upregulation of rap. Rap, a putative SlyA/MarR-family transcriptional regulator, shares similarity with the global regulator RovA (regulator of virulence from Yersina spp. and is an activator of secondary metabolism in Serratia 39006. We demonstrate that expression of rap, pigA-O (encoding the prodigiosin biosynthetic operon and smaI are controlled via PhoBR in Serratia 39006. Conclusion Phosphate limitation regulates secondary metabolism in Serratia 39006 via multiple inter-linked pathways, incorporating transcriptional control mediated by three important global regulators, PhoB, SmaR and Rap.

  16. Three-body recombination of two-component cold atomic gases into deep dimers in an optical model

    International Nuclear Information System (INIS)

    Mikkelsen, M; Jensen, A S; Fedorov, D V; Zinner, N T

    2015-01-01

    We consider three-body recombination into deep dimers in a mass-imbalanced two-component atomic gas. We use an optical model where a phenomenological imaginary potential is added to the lowest adiabatic hyper-spherical potential. The consequent imaginary part of the energy eigenvalue corresponds to the decay rate or recombination probability of the three-body system. The method is formulated in details and the relevant qualitative features are discussed as functions of scattering lengths and masses. We use zero-range model in analyses of recent recombination data. The dominating scattering length is usually related to the non-equal two-body systems. We account for temperature smearing which tends to wipe out the higher-lying Efimov peaks. The range and the strength of the imaginary potential determine positions and shapes of the Efimov peaks as well as the absolute value of the recombination rate. The Efimov scaling between recombination peaks is calculated and shown to depend on both scattering lengths. Recombination is predicted to be largest for heavy–heavy–light systems. Universal properties of the optical parameters are indicated. We compare to available experiments and find in general very satisfactory agreement. (paper)

  17. Two-Component Structure of the Radio Source 0014+813 from VLBI Observations within the CONT14 Program

    Science.gov (United States)

    Titov, O. A.; Lopez, Yu. R.

    2018-03-01

    We consider a method of reconstructing the structure delay of extended radio sources without constructing their radio images. The residuals derived after the adjustment of geodetic VLBI observations are used for this purpose. We show that the simplest model of a radio source consisting of two point components can be represented by four parameters (the angular separation of the components, the mutual orientation relative to the poleward direction, the flux-density ratio, and the spectral index difference) that are determined for each baseline of a multi-baseline VLBI network. The efficiency of this approach is demonstrated by estimating the coordinates of the radio source 0014+813 observed during the two-week CONT14 program organized by the International VLBI Service (IVS) in May 2014. Large systematic deviations have been detected in the residuals of the observations for the radio source 0014+813. The averaged characteristics of the radio structure of 0014+813 at a frequency of 8.4 GHz can be calculated from these deviations. Our modeling using four parameters has confirmed that the source consists of two components at an angular separation of 0.5 mas in the north-south direction. Using the structure delay when adjusting the CONT14 observations leads to a correction of the average declination estimate for the radio source 0014+813 by 0.070 mas.

  18. A Two-Component Regulatory System Impacts Extracellular Membrane-Derived Vesicle Production in Group A Streptococcus

    Directory of Open Access Journals (Sweden)

    Ulrike Resch

    2016-11-01

    Full Text Available Export of macromolecules via extracellular membrane-derived vesicles (MVs plays an important role in the biology of Gram-negative bacteria. Gram-positive bacteria have also recently been reported to produce MVs; however, the composition and mechanisms governing vesiculogenesis in Gram-positive bacteria remain undefined. Here, we describe MV production in the Gram-positive human pathogen group A streptococcus (GAS, the etiological agent of necrotizing fasciitis and streptococcal toxic shock syndrome. M1 serotype GAS isolates in culture exhibit MV structures both on the cell wall surface and in the near vicinity of bacterial cells. A comprehensive analysis of MV proteins identified both virulence-associated protein substrates of the general secretory pathway in addition to “anchorless surface proteins.” Characteristic differences in the contents, distributions, and fatty acid compositions of specific lipids between MVs and GAS cell membrane were also observed. Furthermore, deep RNA sequencing of vesicular RNAs revealed that GAS MVs contained differentially abundant RNA species relative to bacterial cellular RNA. MV production by GAS strains varied in a manner dependent on an intact two-component system, CovRS, with MV production negatively regulated by the system. Modulation of MV production through CovRS was found to be independent of both GAS cysteine protease SpeB and capsule biosynthesis. Our data provide an explanation for GAS secretion of macromolecules, including RNAs, lipids, and proteins, and illustrate a regulatory mechanism coordinating this secretory response.

  19. X-ray induced specific locus mutations in the ad-3 region of two-component heterokaryons of neurospora crassa

    International Nuclear Information System (INIS)

    Serres, F.J. de; Miller, I.R.

    1988-01-01

    The basis for the reduced growth rates of heterokaryons between strains carrying nonallelic combinations of gene/point mutations and multilocus deletion mutations has been investigated by a simple genetic test. The growth rates of forced 2-component heterokaryons (dikaryons) between multilocus deletion mutations were compared with forced 3-component heterokaryons (trikaryons) containing an ad-3A R ad-3B R double mutant as their third component. Since the third component has no genetic damage at other loci immediately adjacent to the ad-3A or ad-3B locus, the growth rate on minimal medium depends on the functional activity of the unaltered ad-3A and ad-3B loci in the first two components. Tests in the present experiments have shown the ad-3 IR mutations result not only in inactivation of the ad-3 loci by multilocus deletion byt also, in many cases, in partial gene inactivation by an unknown mechanisms at other loci in the immediately adacent regions. The heterozygous effects observed in our present experiments with multilocus deletions in Neurospora can be explained either by a spreading-type position effect of the type found by others in Drosophila, mice, Oenothera and Aspergillus or by undetected genetic damage in the immediately adjacent genetic regions. (author). 18 refs.; 8 figs.; 2 tabs

  20. Functionalization of PDMS modified and plasma activated two-component polyurethane coatings by surface attachment of enzymes

    Energy Technology Data Exchange (ETDEWEB)

    Kreider, Alexej; Richter, Katharina; Sell, Stephan; Fenske, Mandus; Tornow, Christian; Stenzel, Volkmar [Fraunhofer Institute for Manufacturing Technology and Advanced Materials - IFAM, Wiener Strasse 12, 28359 Bremen (Germany); Grunwald, Ingo, E-mail: ingo.grunwald@ifam.fraunhofer.de [Fraunhofer Institute for Manufacturing Technology and Advanced Materials - IFAM, Wiener Strasse 12, 28359 Bremen (Germany)

    2013-05-15

    This article describes a new strategy for coupling the enzyme horseradish peroxidase to a two-component polyurethane (2C-PUR) coating. A stable polymer conjugate was achieved by combining the enzyme and the 2C-PUR coating which was modified with poly(dimethylsiloxane) (PDMS), located at the surface. An atmospheric pressure plasma jet system was used to convert alkyl groups from the PDMS into polar silanol functionalities. This conversion was proven by X-ray photoelectron spectroscopy and dynamic contact angle measurements. In addition, the stability of the activated 2C-PUR surface containing silanol groups was determined by measuring the contact angle as a function of time. Compared to the non-modified 2C-PUR systems the one with PDMS displayed a higher stability over a time period over 28 h. In a silanization process the coating was treated with (3-aminopropyl) trimethoxysilane and the enzyme was subsequently immobilized to the coating via the cross linker glutaraldehyde to receive new biomimetic catalytic/enzymatic functions. The chemical immobilization (chemisorption) of the enzyme to the surface showed statistically significant higher biological activity as compared to references samples without using a cross linker (physisorption). The presented technique offers the opportunity to design new and smart multifunctional surface coatings which employ biomimetic capabilities.

  1. A Unique Fungal Two-Component System Regulates Stress Responses, Drug Sensitivity, Sexual Development, and Virulence of Cryptococcus neoformans

    Science.gov (United States)

    Bahn, Yong-Sun; Kojima, Kaihei; Cox, Gary M.

    2006-01-01

    The stress-activated mitogen-activated protein kinase (MAPK) pathway is widely used by eukaryotic organisms as a central conduit via which cellular responses to the environment effect growth and differentiation. The basidiomycetous human fungal pathogen Cryptococcus neoformans uniquely uses the stress-activated Pbs2-Hog1 MAPK system to govern a plethora of cellular events, including stress responses, drug sensitivity, sexual reproduction, and virulence. Here, we characterized a fungal “two-component” system that controls these fundamental cellular functions via the Pbs2-Hog1 MAPK cascade. A typical response regulator, Ssk1, modulated all Hog1-dependent phenotypes by controlling Hog1 phosphorylation, indicating that Ssk1 is the major upstream signaling component of the Pbs2-Hog1 pathway. A second response regulator, Skn7, governs sensitivity to Na+ ions and the antifungal agent fludioxonil, negatively controls melanin production, and functions independently of Hog1 regulation. To control these response regulators, C. neoformans uses multiple sensor kinases, including two-component–like (Tco) 1 and Tco2. Tco1 and Tco2 play shared and distinct roles in stress responses and drug sensitivity through the Hog1 MAPK system. Furthermore, each sensor kinase mediates unique cellular functions for virulence and morphological differentiation. Our findings highlight unique adaptations of this global two-component MAPK signaling cascade in a ubiquitous human fungal pathogen. PMID:16672377

  2. Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

    International Nuclear Information System (INIS)

    Rajagopal, Appavu; Deepa, Mohan; Govindaraju, Munisamy

    2016-01-01

    While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”

  3. Aromatic-Aromatic Interactions in Biological System: Structure Activity Relationships

    Energy Technology Data Exchange (ETDEWEB)

    Rajagopal, Appavu; Deepa, Mohan [Molecular Biophysics Unit, Indian Institute of Sciences-Bangalore, Karnataka (India); Govindaraju, Munisamy [Bio-Spatial Technology Research Unit, Department of Environmental Biotechnology, School of Environmental Sciences, Bharathidasan University, Tiruchirappalli, Tamil Nadu (India)

    2016-02-26

    While, intramolecular hydrogen bonds have attracted the greatest attention in studies of peptide conformations, the recognition that several other weakly polar interactions may be important determinants of folded structure has been growing. Burley and Petsko provided a comprehensive overview of the importance of weakly polar interactions, in shaping protein structures. The interactions between aromatic rings, which are spatially approximate, have attracted special attention. A survey of the proximal aromatic residue pairs in proteins, allowed Burley and Petsko to suggest that, “phenyl ring centroids are separated by a preferential distance of between 4.5 and 7 Å, and dihedral angles approximately 90° are most common”.

  4. Detection of chlorinated aromatic compounds

    Science.gov (United States)

    Ekechukwu, A.A.

    1996-02-06

    A method for making a composition for measuring the concentration of chlorinated aromatic compounds in aqueous fluids, and an optical probe for use with the method are disclosed. The composition comprises a hydrophobic polymer matrix, preferably polyamide, with a fluorescent indicator uniformly dispersed therein. The indicator fluoresces in the presence of the chlorinated aromatic compounds with an intensity dependent on the concentration of these compounds in the fluid of interest, such as 8-amino-2-naphthalene sulfonate. The probe includes a hollow cylindrical housing that contains the composition in its distal end. The probe admits an aqueous fluid to the probe interior for exposure to the composition. An optical fiber transmits excitation light from a remote source to the composition while the indicator reacts with chlorinated aromatic compounds present in the fluid. The resulting fluorescence light signal is reflected to a second optical fiber that transmits the light to a spectrophotometer for analysis. 5 figs.

  5. Role of the SaeRS two-component regulatory system in Staphylococcus epidermidis autolysis and biofilm formation

    Science.gov (United States)

    2011-01-01

    Background Staphylococcus epidermidis (SE) has emerged as one of the most important causes of nosocomial infections. The SaeRS two-component signal transduction system (TCS) influences virulence and biofilm formation in Staphylococcus aureus. The deletion of saeR in S. epidermidis results in impaired anaerobic growth and decreased nitrate utilization. However, the regulatory function of SaeRS on biofilm formation and autolysis in S. epidermidis remains unclear. Results The saeRS genes of SE1457 were deleted by homologous recombination. The saeRS deletion mutant, SE1457ΔsaeRS, exhibited increased biofilm formation that was disturbed more severely (a 4-fold reduction) by DNase I treatment compared to SE1457 and the complementation strain SE1457saec. Compared to SE1457 and SE1457saec, SE1457ΔsaeRS showed increased Triton X-100-induced autolysis (approximately 3-fold) and decreased cell viability in planktonic/biofilm states; further, SE1457ΔsaeRS also released more extracellular DNA (eDNA) in the biofilms. Correlated with the increased autolysis phenotype, the transcription of autolysis-related genes, such as atlE and aae, was increased in SE1457ΔsaeRS. Whereas the expression of accumulation-associated protein was up-regulated by 1.8-fold in 1457ΔsaeRS, the expression of an N-acetylglucosaminyl transferase enzyme (encoded by icaA) critical for polysaccharide intercellular adhesin (PIA) synthesis was not affected by the deletion of saeRS. Conclusions Deletion of saeRS in S. epidermidis resulted in an increase in biofilm-forming ability, which was associated with increased eDNA release and up-regulated Aap expression. The increased eDNA release from SE1457ΔsaeRS was associated with increased bacterial autolysis and decreased bacterial cell viability in the planktonic/biofilm states. PMID:21702925

  6. Role of the SaeRS two-component regulatory system in Staphylococcus epidermidis autolysis and biofilm formation

    Directory of Open Access Journals (Sweden)

    Francois Patrice

    2011-06-01

    Full Text Available Abstract Background Staphylococcus epidermidis (SE has emerged as one of the most important causes of nosocomial infections. The SaeRS two-component signal transduction system (TCS influences virulence and biofilm formation in Staphylococcus aureus. The deletion of saeR in S. epidermidis results in impaired anaerobic growth and decreased nitrate utilization. However, the regulatory function of SaeRS on biofilm formation and autolysis in S. epidermidis remains unclear. Results The saeRS genes of SE1457 were deleted by homologous recombination. The saeRS deletion mutant, SE1457ΔsaeRS, exhibited increased biofilm formation that was disturbed more severely (a 4-fold reduction by DNase I treatment compared to SE1457 and the complementation strain SE1457saec. Compared to SE1457 and SE1457saec, SE1457ΔsaeRS showed increased Triton X-100-induced autolysis (approximately 3-fold and decreased cell viability in planktonic/biofilm states; further, SE1457ΔsaeRS also released more extracellular DNA (eDNA in the biofilms. Correlated with the increased autolysis phenotype, the transcription of autolysis-related genes, such as atlE and aae, was increased in SE1457ΔsaeRS. Whereas the expression of accumulation-associated protein was up-regulated by 1.8-fold in 1457ΔsaeRS, the expression of an N-acetylglucosaminyl transferase enzyme (encoded by icaA critical for polysaccharide intercellular adhesin (PIA synthesis was not affected by the deletion of saeRS. Conclusions Deletion of saeRS in S. epidermidis resulted in an increase in biofilm-forming ability, which was associated with increased eDNA release and up-regulated Aap expression. The increased eDNA release from SE1457ΔsaeRS was associated with increased bacterial autolysis and decreased bacterial cell viability in the planktonic/biofilm states.

  7. Evolution of multidrug resistance during Staphylococcus aureus infection involves mutation of the essential two component regulator WalKR.

    Directory of Open Access Journals (Sweden)

    Benjamin P Howden

    2011-11-01

    Full Text Available Antimicrobial resistance in Staphylococcus aureus is a major public health threat, compounded by emergence of strains with resistance to vancomycin and daptomycin, both last line antimicrobials. Here we have performed high throughput DNA sequencing and comparative genomics for five clinical pairs of vancomycin-susceptible (VSSA and vancomycin-intermediate ST239 S. aureus (VISA; each pair isolated before and after vancomycin treatment failure. These comparisons revealed a frequent pattern of mutation among the VISA strains within the essential walKR two-component regulatory locus involved in control of cell wall metabolism. We then conducted bi-directional allelic exchange experiments in our clinical VSSA and VISA strains and showed that single nucleotide substitutions within either walK or walR lead to co-resistance to vancomycin and daptomycin, and caused the typical cell wall thickening observed in resistant clinical isolates. Ion Torrent genome sequencing confirmed no additional regulatory mutations had been introduced into either the walR or walK VISA mutants during the allelic exchange process. However, two potential compensatory mutations were detected within putative transport genes for the walK mutant. The minimal genetic changes in either walK or walR also attenuated virulence, reduced biofilm formation, and led to consistent transcriptional changes that suggest an important role for this regulator in control of central metabolism. This study highlights the dramatic impacts of single mutations that arise during persistent S. aureus infections and demonstrates the role played by walKR to increase drug resistance, control metabolism and alter the virulence potential of this pathogen.

  8. Haemophilus parasuis CpxRA two-component system confers bacterial tolerance to environmental stresses and macrolide resistance.

    Science.gov (United States)

    Cao, Qi; Feng, Fenfen; Wang, Huan; Xu, Xiaojuan; Chen, Huanchun; Cai, Xuwang; Wang, Xiangru

    2018-01-01

    Haemophilus parasuis is an opportunistic pathogen localized in the upper respiratory tracts of pigs, its infection begins from bacterial survival under complex conditions, like hyperosmosis, oxidative stress, phagocytosis, and sometimes antibiotics as well. The two-component signal transduction (TCST) system serves as a common stimulus-response mechanism that allows microbes to sense and respond to diverse environmental conditions via a series of phosphorylation reactions. In this study, we investigated the role of TCST system CpxRA in H. parasuis in response to different environmental stimuli by constructing the ΔcpxA and ΔcpxR single deletion mutants as well as the ΔcpxRA double deletion mutant from H. parasuis serotype 4 isolate JS0135. We demonstrated that H. parasuis TCST system CpxRA confers bacterial tolerance to stresses and bactericidal antibiotics. The CpxR was found to play essential roles in mediating oxidative stress, osmotic stresses and alkaline pH stress tolerance, as well as macrolide resistance (i.e. erythromycin), but the CpxA deletion did not decrease bacterial resistance to abovementioned stresses. Moreover, we found via RT-qPCR approach that HAPS_RS00160 and HAPS_RS09425, both encoding multidrug efflux pumps, were significantly decreased in erythromycin challenged ΔcpxR and ΔcpxRA mutants compared with wild-type strain JS0135. These findings characterize the role of the TCST system CpxRA in H. parasuis conferring stress response tolerance and bactericidal resistance, which will deepen our understanding of the pathogenic mechanism in H. parasuis. Copyright © 2017 Elsevier GmbH. All rights reserved.

  9. Evolutionary history of the OmpR/IIIA family of signal transduction two component systems in Lactobacillaceae and Leuconostocaceae

    Directory of Open Access Journals (Sweden)

    González-Candelas Fernando

    2011-02-01

    Full Text Available Abstract Background Two component systems (TCS are signal transduction pathways which typically consist of a sensor histidine kinase (HK and a response regulator (RR. In this study, we have analyzed the evolution of TCS of the OmpR/IIIA family in Lactobacillaceae and Leuconostocaceae, two families belonging to the group of lactic acid bacteria (LAB. LAB colonize nutrient-rich environments such as foodstuffs, plant materials and the gastrointestinal tract of animals thus driving the study of this group of both basic and applied interest. Results The genomes of 19 strains belonging to 16 different species have been analyzed. The number of TCS encoded by the strains considered in this study varied between 4 in Lactobacillus helveticus and 17 in Lactobacillus casei. The OmpR/IIIA family was the most prevalent in Lactobacillaceae accounting for 71% of the TCS present in this group. The phylogenetic analysis shows that no new TCS of this family has recently evolved in these Lactobacillaceae by either lineage-specific gene expansion or domain shuffling. Furthermore, no clear evidence of non-orthologous replacements of either RR or HK partners has been obtained, thus indicating that coevolution of cognate RR and HKs has been prevalent in Lactobacillaceae. Conclusions The results obtained suggest that vertical inheritance of TCS present in the last common ancestor and lineage-specific gene losses appear as the main evolutionary forces involved in their evolution in Lactobacillaceae, although some HGT events cannot be ruled out. This would agree with the genomic analyses of Lactobacillales which show that gene losses have been a major trend in the evolution of this group.

  10. 454 Transcriptome sequencing suggests a role for two-component signalling in cellularization and differentiation of barley endosperm transfer cells.

    Science.gov (United States)

    Thiel, Johannes; Hollmann, Julien; Rutten, Twan; Weber, Hans; Scholz, Uwe; Weschke, Winfriede

    2012-01-01

    Cell specification and differentiation in the endosperm of cereals starts at the maternal-filial boundary and generates the endosperm transfer cells (ETCs). Besides the importance in assimilate transfer, ETCs are proposed to play an essential role in the regulation of endosperm differentiation by affecting development of proximate endosperm tissues. We attempted to identify signalling elements involved in early endosperm differentiation by using a combination of laser-assisted microdissection and 454 transcriptome sequencing. 454 sequencing of the differentiating ETC region from the syncytial state until functionality in transfer processes captured a high proportion of novel transcripts which are not available in existing barley EST databases. Intriguingly, the ETC-transcriptome showed a high abundance of elements of the two-component signalling (TCS) system suggesting an outstanding role in ETC differentiation. All components and subfamilies of the TCS, including distinct kinds of membrane-bound receptors, have been identified to be expressed in ETCs. The TCS system represents an ancient signal transduction system firstly discovered in bacteria and has previously been shown to be co-opted by eukaryotes, like fungi and plants, whereas in animals and humans this signalling route does not exist. Transcript profiling of TCS elements by qRT-PCR suggested pivotal roles for specific phosphorelays activated in a coordinated time flow during ETC cellularization and differentiation. ETC-specificity of transcriptionally activated TCS phosphorelays was assessed for early differentiation and cellularization contrasting to an extension of expression to other grain tissues at the beginning of ETC maturation. Features of candidate genes of distinct phosphorelays and transcriptional activation of genes putatively implicated in hormone signalling pathways hint at a crosstalk of hormonal influences, putatively ABA and ethylene, and TCS signalling. Our findings suggest an integral

  11. MzrA: a novel modulator of the EnvZ/OmpR two-component regulon

    Science.gov (United States)

    Gerken, Henri; Charlson, Emily S; Cicirelli, Elisha M; Kenney, Linda J; Misra, Rajeev

    2009-01-01

    Analysis of suppressors that alleviate the acute envelope stress phenotype of a ΔbamBΔdegP strain of Escherichia coli identified a novel protein MzrA and pleiotropic envZ mutations. Genetic evidence shows that overexpression of MzrA – formerly known as YqjB and EcfM – modulates the activity of EnvZ/OmpR similarly to pleiotropic EnvZ mutants and alter porin expression. However, porin expression in strains devoid of MzrA or overexpressing it is still sensitive to medium osmolarity, pH and procaine, all of which modulate EnvZ/OmpR activities. Thus, MzrA appears to alter the output of the EnvZ/OmpR system but not its ability to receive and respond to various environmental signals. Localization and topology experiments indicate that MzrA is a type II membrane protein, with its N-terminus exposed in the cytoplasm and C-terminus in the periplasm. Bacterial two-hybrid experiments determined that MzrA specifically interacts with EnvZ but not with OmpR or the related membrane sensor kinase, CpxA. This and additional genetic and biochemical evidence suggest that the interaction of MzrA with EnvZ would either enhance EnvZ's kinase activity or reduce its phosphatase activity, thus elevating the steady state levels of OmpR∼P. Furthermore, our data show that MzrA links the two-component envelope stress response regulators, CpxA/CpxR and EnvZ/OmpR. PMID:19432797

  12. a Novel Two-Component Decomposition for Co-Polar Channels of GF-3 Quad-Pol Data

    Science.gov (United States)

    Kwok, E.; Li, C. H.; Zhao, Q. H.; Li, Y.

    2018-04-01

    Polarimetric target decomposition theory is the most dynamic and exploratory research area in the field of PolSAR. But most methods of target decomposition are based on fully polarized data (quad pol) and seldom utilize dual-polar data for target decomposition. Given this, we proposed a novel two-component decomposition method for co-polar channels of GF-3 quad-pol data. This method decomposes the data into two scattering contributions: surface, double bounce in dual co-polar channels. To save this underdetermined problem, a criterion for determining the model is proposed. The criterion can be named as second-order averaged scattering angle, which originates from the H/α decomposition. and we also put forward an alternative parameter of it. To validate the effectiveness of proposed decomposition, Liaodong Bay is selected as research area. The area is located in northeastern China, where it grows various wetland resources and appears sea ice phenomenon in winter. and we use the GF-3 quad-pol data as study data, which which is China's first C-band polarimetric synthetic aperture radar (PolSAR) satellite. The dependencies between the features of proposed algorithm and comparison decompositions (Pauli decomposition, An&Yang decomposition, Yamaguchi S4R decomposition) were investigated in the study. Though several aspects of the experimental discussion, we can draw the conclusion: the proposed algorithm may be suitable for special scenes with low vegetation coverage or low vegetation in the non-growing season; proposed decomposition features only using co-polar data are highly correlated with the corresponding comparison decomposition features under quad-polarization data. Moreover, it would be become input of the subsequent classification or parameter inversion.

  13. Two-component system VicRK regulates functions associated with establishment of Streptococcus sanguinis in biofilms.

    Science.gov (United States)

    Moraes, Julianna J; Stipp, Rafael N; Harth-Chu, Erika N; Camargo, Tarsila M; Höfling, José F; Mattos-Graner, Renata O

    2014-12-01

    Streptococcus sanguinis is a commensal pioneer colonizer of teeth and an opportunistic pathogen of infectious endocarditis. The establishment of S. sanguinis in host sites likely requires dynamic fitting of the cell wall in response to local stimuli. In this study, we investigated the two-component system (TCS) VicRK in S. sanguinis (VicRKSs), which regulates genes of cell wall biogenesis, biofilm formation, and virulence in opportunistic pathogens. A vicK knockout mutant obtained from strain SK36 (SKvic) showed slight reductions in aerobic growth and resistance to oxidative stress but an impaired ability to form biofilms, a phenotype restored in the complemented mutant. The biofilm-defective phenotype was associated with reduced amounts of extracellular DNA during aerobic growth, with reduced production of H2O2, a metabolic product associated with DNA release, and with inhibitory capacity of S. sanguinis competitor species. No changes in autolysis or cell surface hydrophobicity were detected in SKvic. Reverse transcription-quantitative PCR (RT-qPCR), electrophoretic mobility shift assays (EMSA), and promoter sequence analyses revealed that VicR directly regulates genes encoding murein hydrolases (SSA_0094, cwdP, and gbpB) and spxB, which encodes pyruvate oxidase for H2O2 production. Genes previously associated with spxB expression (spxR, ccpA, ackA, and tpK) were not transcriptionally affected in SKvic. RT-qPCR analyses of S. sanguinis biofilm cells further showed upregulation of VicRK targets (spxB, gbpB, and SSA_0094) and other genes for biofilm formation (gtfP and comE) compared to expression in planktonic cells. This study provides evidence that VicRKSs regulates functions crucial for S. sanguinis establishment in biofilms and identifies novel VicRK targets potentially involved in hydrolytic activities of the cell wall required for these functions. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

  14. Remote sensing of particle dynamics: a two-component unmixing model in a western UK shelf sea.

    Science.gov (United States)

    Mitchell, Catherine; Cunningham, Alex

    2014-05-01

    The relationship between the backscattering and absorption coefficients, in particular the backscattering to absorption ratio, is mediated by the type of particles present in the water column. By considering the optical signals to be driven by phytoplankton and suspended minerals, with a relatively constant influence from CDOM, radiative transfer modelling is used to propose a method for retrieving the optical contribution of phytoplankton and suspended minerals to the total absorption coefficient with mean percentage errors of below 5% for both components. These contributions can be converted to constituent concentrations if the appropriate specific inherent optical properties are known or can be determined from the maximum and minimum backscattering to absorption ratios of the data. Remotely sensed absorption and backscattering coefficients from eight years of MODIS data for the Irish Sea reveal maximum backscattering to absorption coefficient ratios over the winter (with an average for the region of 0.27), which then decrease to a minimum over the summer months (with an average of 0.06) before increasing again through to winter, indicating a change in the particles present in the water column. Application of the two-component unmixing model to this data showed seasonal cycles of both phytoplankton and suspended mineral concentrations which vary in both amplitude and periodicity depending on their location. For example, in the Bristol Channel the amplitude of the suspended mineral concentration throughout one cycle is approximately 75% greater than a yearly cycle in the eastern Irish Sea. These seasonal cycles give an insight into the complex dynamics of particles in the water column, indicating the suspension of sediment throughout the winter months and the loss of sediments from the surface layer over the summer during stratification. The relationship between the timing of the phytoplankton spring bloom and changes in the availability of light in the water

  15. Fused aromatic thienopyrazines: structure, properties and function

    KAUST Repository

    Mondal, Rajib; Ko, Sangwon; Bao, Zhenan

    2010-01-01

    Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier

  16. Molecular evolution of the two-component system BvgAS involved in virulence regulation in Bordetella.

    Directory of Open Access Journals (Sweden)

    Julien Herrou

    Full Text Available The whooping cough agent Bordetella pertussis is closely related to Bordetella bronchiseptica, which is responsible for chronic respiratory infections in various mammals and is occasionally found in humans, and to Bordetella parapertussis, one lineage of which causes mild whooping cough in humans and the other ovine respiratory infections. All three species produce similar sets of virulence factors that are co-regulated by the two-component system BvgAS. We characterized the molecular diversity of BvgAS in Bordetella by sequencing the two genes from a large number of diverse isolates. The response regulator BvgA is virtually invariant, indicating strong functional constraints. In contrast, the multi-domain sensor kinase BvgS has evolved into two different types. The pertussis type is found in B. pertussis and in a lineage of essentially human-associated B. bronchiseptica, while the bronchiseptica type is associated with the majority of B. bronchiseptica and both ovine and human B. parapertussis. BvgS is monomorphic in B. pertussis, suggesting optimal adaptation or a recent population bottleneck. The degree of diversity of the bronchiseptica type BvgS is markedly different between domains, indicating distinct evolutionary pressures. Thus, absolute conservation of the putative solute-binding cavities of the two periplasmic Venus Fly Trap (VFT domains suggests that common signals are perceived in all three species, while the external surfaces of these domains vary more extensively. Co-evolution of the surfaces of the two VFT domains in each type and domain swapping experiments indicate that signal transduction in the periplasmic region may be type-specific. The two distinct evolutionary solutions for BvgS confirm that B. pertussis has emerged from a specific B. bronchiseptica lineage. The invariant regions of BvgS point to essential parts for its molecular mechanism, while the variable regions may indicate adaptations to different lifestyles. The

  17. Novel Two-Component System of Streptococcus sanguinis Affecting Functions Associated with Viability in Saliva and Biofilm Formation.

    Science.gov (United States)

    Camargo, Tarsila M; Stipp, Rafael N; Alves, Lívia A; Harth-Chu, Erika N; Höfling, José F; Mattos-Graner, Renata O

    2018-04-01

    Streptococcus sanguinis is a pioneer species of teeth and a common opportunistic pathogen of infective endocarditis. In this study, we identified a two-component system, S. sanguinis SptRS (SptRS Ss ), affecting S. sanguinis survival in saliva and biofilm formation. Isogenic mutants of sptR Ss (SKsptR) and sptS Ss (SKsptS) showed reduced cell counts in ex vivo assays of viability in saliva compared to those of parent strain SK36 and complemented mutants. Reduced counts of the mutants in saliva were associated with reduced growth rates in nutrient-poor medium (RPMI) and increased susceptibility to the deposition of C3b and the membrane attach complex (MAC) of the complement system, a defense component of saliva and serum. Conversely, sptR Ss and sptS Ss mutants showed increased biofilm formation associated with higher levels of production of H 2 O 2 and extracellular DNA. Reverse transcription-quantitative PCR (RT-qPCR) comparisons of strains indicated a global role of SptRS Ss in repressing genes for H 2 O 2 production (2.5- to 15-fold upregulation of spxB , spxR , vicR , tpk , and ackA in sptR Ss and sptS Ss mutants), biofilm formation, and/or evasion of host immunity (2.1- to 11.4-fold upregulation of srtA , pcsB , cwdP , iga , and nt5e ). Compatible with the homology of SptR Ss with AraC-type regulators, duplicate to multiple conserved repeats were identified in 1,000-bp regulatory regions of downstream genes, suggesting that SptR Ss regulates transcription by DNA looping. Significant transcriptional changes in the regulatory genes vicR , spxR , comE , comX , and mecA in the sptR Ss and sptS Ss mutants further indicated that SptRS Ss is part of a regulatory network that coordinates cell wall homeostasis, H 2 O 2 production, and competence. This study reveals that SptRS Ss is involved in the regulation of crucial functions for S. sanguinis persistence in the oral cavity. Copyright © 2018 American Society for Microbiology.

  18. Converting lignin to aromatics: step by step

    NARCIS (Netherlands)

    Strassberger, Z.I.

    2014-01-01

    Lignin, the glue that holds trees together, is the most abundant natural resource of aromatics. In that respect, it is a far more advanced resource than crude oil. This is because lignin already contains the aromatic functional groups. Thus, catalytic conversion of lignin to high-value aromatics is

  19. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, Jr., Lawrence A.

    1989-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  20. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, L.A. Jr.

    1989-07-18

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  1. The direct aromatization of methane

    Energy Technology Data Exchange (ETDEWEB)

    Marcelin, G.; Oukaci, R.; Migone, R.A.; Kazi, A.M. [Altamira Instruments, Pittsburgh, PA (United States)

    1995-12-31

    The thermal decomposition of methane shows significant potential as a process for the production of higher unsaturated and aromatic hydrocarbons when the extent of the reaction is limited. Thermodynamic calculations have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that when the reaction is limited to the formation of C{sub 2} to C{sub 10} products, yields of aromatics can exceed 40% at temperatures of 1200{degrees}C. Preliminary experiments have shown that cooling the product and reacting gases as the reaction proceeds can significantly reduce or eliminate the formation of solid carbon and heavier (C{sub 10+}) materials. Much work remains to be done in optimizing the quenching process and this is one of the goals of this program. Means to lower the temperature of the reaction are being studied as this result in a more feasible commercial process due to savings realized in energy and material of construction costs. The use of free-radical generators and catalysts will be investigated as a means of lowering the reaction temperature thus allowing faster quenching. It is highly likely that such studies will lead to a successful direct methane to higher hydrocarbon process.

  2. Bicyclic Baird-type aromaticity

    Science.gov (United States)

    Cha, Won-Young; Kim, Taeyeon; Ghosh, Arindam; Zhang, Zhan; Ke, Xian-Sheng; Ali, Rashid; Lynch, Vincent M.; Jung, Jieun; Kim, Woojae; Lee, Sangsu; Fukuzumi, Shunichi; Park, Jung Su; Sessler, Jonathan L.; Chandrashekar, Tavarekere K.; Kim, Dongho

    2017-12-01

    Classic formulations of aromaticity have long been associated with topologically planar conjugated macrocyclic systems. The theoretical possibility of so-called bicycloaromaticity was noted early on. However, it has yet to be demonstrated by experiment in a simple synthetic organic molecule. Conjugated organic systems are attractive for studying the effect of structure on electronic features. This is because, in principle, they can be modified readily through dedicated synthesis. As such, they can provide useful frameworks for testing by experiment with fundamental insights provided by theory. Here we detail the synthesis and characterization of two purely organic non-planar dithienothiophene-bridged [34]octaphyrins that permit access to two different aromatic forms as a function of the oxidation state. In their neutral forms, these congeneric systems contain competing 26 and 34 π-electronic circuits. When subject to two-electron oxidation, electronically mixed [4n+1]/[4n+1] triplet biradical species in the ground state are obtained that display global aromaticity in accord with Baird's rule.

  3. Spectroscopic Diagnosis of Excited-State Aromaticity: Capturing Electronic Structures and Conformations upon Aromaticity Reversal.

    Science.gov (United States)

    Oh, Juwon; Sung, Young Mo; Hong, Yongseok; Kim, Dongho

    2018-03-06

    Aromaticity, the special energetic stability derived from cyclic [4 n + 2]π-conjugated electronic structures, has been the topic of intense interest in chemistry because it plays a critical role in rationalizing molecular stability, reactivity, and physical/chemical properties. Recently, the pioneering work by Colin Baird on aromaticity reversal, postulating that aromatic (antiaromatic) character in the ground state reverses to antiaromatic (aromatic) character in the lowest excited triplet state, has attracted much scientific attention. The completely reversed aromaticity in the excited state provides direct insight into understanding the photophysical/chemical properties of photoactive materials. In turn, the application of aromatic molecules to photoactive materials has led to numerous studies revealing this aromaticity reversal. However, most studies of excited-state aromaticity have been based on the theoretical point of view. The experimental evaluation of aromaticity in the excited state is still challenging and strenuous because the assessment of (anti)aromaticity with conventional magnetic, energetic, and geometric indices is difficult in the excited state, which practically restricts the extension and application of the concept of excited-state aromaticity. Time-resolved optical spectroscopies can provide a new and alternative avenue to evaluate excited-state aromaticity experimentally while observing changes in the molecular features in the excited states. Time-resolved optical spectroscopies take advantage of ultrafast laser pulses to achieve high time resolution, making them suitable for monitoring ultrafast changes in the excited states of molecular systems. This can provide valuable information for understanding the aromaticity reversal. This Account presents recent breakthroughs in the experimental assessment of excited-state aromaticity and the verification of aromaticity reversal with time-resolved optical spectroscopic measurements. To

  4. Noncomparative scaling of aromaticity through electron itinerancy

    International Nuclear Information System (INIS)

    Paul, Satadal; Goswami, Tamal; Misra, Anirban

    2015-01-01

    Aromaticity is a multidimensional concept and not a directly observable. These facts have always stood in the way of developing an appropriate theoretical framework for scaling of aromaticity. In the present work, a quantitative account of aromaticity is developed on the basis of cyclic delocalization of π-electrons, which is the phenomenon leading to unique features of aromatic molecules. The stabilization in molecular energy, caused by delocalization of π-electrons is obtained as a second order perturbation energy for archetypal aromatic systems. The final expression parameterizes the aromatic stabilization energy in terms of atom to atom charge transfer integral, onsite repulsion energy and the population of spin orbitals at each site in the delocalized π-electrons. An appropriate computational platform is framed to compute each and individual parameter in the derived equation. The numerical values of aromatic stabilization energies obtained for various aromatic molecules are found to be in close agreement with available theoretical and experimental reports. Thus the reliable estimate of aromaticity through the proposed formalism renders it as a useful tool for the direct assessment of aromaticity, which has been a long standing problem in chemistry

  5. A two-component model of host–parasitoid interactions: determination of the size of inundative releases of parasitoids in biological pest contro

    NARCIS (Netherlands)

    Grasman, J.; Herwaarden, van O.A.; Hemerik, L.; Lenteren, van J.C.

    2001-01-01

    A two-component differential equation model is formulated for a host–parasitoid interaction. Transient dynamics and population crashes of this system are analysed using differential inequalities. Two different cases can be distinguished: either the intrinsic growth rate of the host population is

  6. The oligomeric assembly of the novel haem-degrading protein HbpS is essential for interaction with its cognate two-component sensor kinase

    NARCIS (Netherlands)

    Ortiz de Orué Lucana, Darío; Bogel, Gabriele; Zou, Peijian; Groves, Matthew R

    2009-01-01

    HbpS, a novel protein of previously unknown function from Streptomyces reticuli, is up-regulated in response to haemin- and peroxide-based oxidative stress and interacts with the SenS/SenR two-component signal transduction system. In this study, we report the high-resolution crystal structures (2.2

  7. Rhodococcus rhodochrous DSM 43269 3-Ketosteroid 9 alpha-Hydroxylase, a Two-Component Iron-Sulfur-Containing Monooxygenase with Subtle Steroid Substrate Specificity

    NARCIS (Netherlands)

    Petrusma, M.; Dijkhuizen, L.; van der Geize, R.

    2009-01-01

    This paper reports the biochemical characterization of a purified and reconstituted two-component 3-ketosteroid 9 alpha-hydroxylase (KSH). KSH of Rhodococcus rhodochrous DSM 43269, consisting of a ferredoxin reductase (KshB) and a terminal oxygenase (KshA), was heterologously expressed in

  8. Substrate specific hydrolysis of aromatic and aromatic-aliphatic esters in orchid tissue cultures

    Directory of Open Access Journals (Sweden)

    Agnieszka Mironowicz

    2014-01-01

    Full Text Available We found that tissue cultures of higher plants were able, similarly as microorganisms, to transform low-molecular-weight chemical compounds. In tissue cultures of orchids (Cymbidium 'Saint Pierre' and Dendrobium phalaenopsis acetates of phenols and aromatic-aliphatic alcohols were hydrolyzed, whereas methyl esters of aromatic and aromatic-aliphatic acids did not undergo this reaction. Acetates of racemic aromatic-aliphatic alcohols were hydrolyzed with distinct enantiospecificity.

  9. Birds and polycyclic aromatic hydrocarbons

    Science.gov (United States)

    Albers, P.H.

    2006-01-01

    Polycyclic aromatic hydrocarbons (PAH) are present throughout the global environment and are produced naturally and by activities of humans. Effects of PAH on birds have been determined by studies employing egg injection, egg immersion, egg shell application, single and multiple oral doses, subcutaneous injection, and chemical analysis of field-collected eggs and tissue. The four-to six-ring aromatic compounds are the most toxic to embryos, young birds, and adult birds. For embryos, effects include death, developmental abnormalities, and a variety of cellular and biochemical responses. For adult and young birds, effects include reduced egg production and hatching, increased clutch or brood abandonment, reduced growth, increased organweights, and a variety of biochemical responses. Trophic level accumulation is unlikely. Environmental exposure to PAH in areas of high human population or habitats affected by recent petroleum spills might be sufficient to adversely affect reproduction. Evidence of long-term effects of elevated concentrations of environmental PAH on bird populations is very limited and the mechanisms of effect are unclear.

  10. Application of two-component phase doppler interferometry to the measurement of particle size, mass flux, and velocities in two-phase flows

    OpenAIRE

    McDonell, VG; Samuelsen, GS

    1989-01-01

    The application of two-component interferometry is described for the spatially-resolved measurement of particle size, velocity and mass flux as well as continuous phase velocity. Such a capability is important to develop an understanding of the physical processes attendant to two-phase flow systems, especially those involving liquid atomization typical of a wide class of combustion systems. Adapted from laser anemometry, the technique (phase Doppler interferometry) measures single particle ev...

  11. A Two-Component Regulatory System, CsrR-CsrS, Represses Expression of Three Streptococcus pyogenes Virulence Factors, Hyaluronic Acid Capsule, Streptolysin S, and Pyrogenic Exotoxin B

    OpenAIRE

    Heath, Andrew; DiRita, Victor J.; Barg, Neil L.; Engleberg, N. Cary

    1999-01-01

    Certain Tn916 insertions in the chromosome of an M1-type, nonmucoid Streptococcus pyogenes isolate (MGAS166) were previously shown to result in stable mucoidy with increased expression of the capsular synthetic genes. The transposon insertions in these strains are directly upstream of an apparent operon encoding a two-component regulatory system, designated csrR-csrS. Compared with MGAS166, these mucoid mutants are more hemolytic and cause significantly more tissue damage in a murine model of...

  12. Theoretical studies of the structures and local aromaticity of conjugated polycyclic hydrocarbons using three aromatic indices

    Science.gov (United States)

    Sakai, Shogo; Kita, Yuki

    2013-07-01

    The structures and local aromaticity of some conjugated polycyclic hydrocarbons (from the butadienoid, acene, and phenylene series) are studied using ab initio MO and density functional methods. The aromaticities of the molecules are estimated using three indices: the nucleus-independent chemical shift (NICS), the harmonic oscillator model of aromaticity (HOMA), and the index of deviation from aromaticity (IDA). Assessment of the relationships between the structures and the aromatic indices shows that the IDA values correspond best to the characteristics of the conjugated polycyclic hydrocarbon structures.

  13. Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase

    Science.gov (United States)

    Werther, Tobias; Wahlefeld, Stefan; Salewski, Johannes; Kuhlmann, Uwe; Zebger, Ingo; Hildebrandt, Peter; Dobbek, Holger

    2017-07-01

    How an enzyme activates its substrate for turnover is fundamental for catalysis but incompletely understood on a structural level. With redox enzymes one typically analyses structures of enzyme-substrate complexes in the unreactive oxidation state of the cofactor, assuming that the interaction between enzyme and substrate is independent of the cofactors oxidation state. Here, we investigate the Michaelis complex of the flavoenzyme xenobiotic reductase A with the reactive reduced cofactor bound to its substrates by X-ray crystallography and resonance Raman spectroscopy and compare it to the non-reactive oxidized Michaelis complex mimics. We find that substrates bind in different orientations to the oxidized and reduced flavin, in both cases flattening its structure. But only authentic Michaelis complexes display an unexpected rich vibrational band pattern uncovering a strong donor-acceptor complex between reduced flavin and substrate. This interaction likely activates the catalytic ground state of the reduced flavin, accelerating the reaction within a compressed cofactor-substrate complex.

  14. Independent Recruitment of a Flavin-Dependent Monooxygenase for Safe Accumulation of Sequestered Pyrrolizidine Alkaloids in Grasshoppers and Moths

    OpenAIRE

    Wang, Linzhu; Beuerle, Till; Timbilla, James; Ober, Dietrich

    2012-01-01

    Several insect lineages have developed diverse strategies to sequester toxic pyrrolizidine alkaloids from food-plants for their own defense. Here, we show that in two highly divergent insect taxa, the hemimetabolous grasshoppers and the holometabolous butterflies, an almost identical strategy evolved independently for safe accumulation of pyrrolizidine alkaloids. This strategy involves a pyrrolizidine alkaloid N-oxygenase that transfers the pyrrolizidine alkaloids to their respective N-oxide,...

  15. Immediate and heterogeneous response of the LiaFSR two-component system of Bacillus subtilis to the peptide antibiotic bacitracin.

    Science.gov (United States)

    Kesel, Sara; Mader, Andreas; Höfler, Carolin; Mascher, Thorsten; Leisner, Madeleine

    2013-01-01

    Two-component signal transduction systems are one means of bacteria to respond to external stimuli. The LiaFSR two-component system of Bacillus subtilis consists of a regular two-component system LiaRS comprising the core Histidine Kinase (HK) LiaS and the Response Regulator (RR) LiaR and additionally the accessory protein LiaF, which acts as a negative regulator of LiaRS-dependent signal transduction. The complete LiaFSR system was shown to respond to various peptide antibiotics interfering with cell wall biosynthesis, including bacitracin. Here we study the response of the LiaFSR system to various concentrations of the peptide antibiotic bacitracin. Using quantitative fluorescence microscopy, we performed a whole population study analyzed on the single cell level. We investigated switching from the non-induced 'OFF' state into the bacitracin-induced 'ON' state by monitoring gene expression of a fluorescent reporter from the RR-regulated liaI promoter. We found that switching into the 'ON' state occurred within less than 20 min in a well-defined switching window, independent of the bacitracin concentration. The switching rate and the basal expression rate decreased at low bacitracin concentrations, establishing clear heterogeneity 60 min after bacitracin induction. Finally, we performed time-lapse microscopy of single cells confirming the quantitative response as obtained in the whole population analysis for high bacitracin concentrations. The LiaFSR system exhibits an immediate, heterogeneous and graded response to the inducer bacitracin in the exponential growth phase.

  16. Aromatic claw: A new fold with high aromatic content that evades structural prediction: Aromatic Claw

    Energy Technology Data Exchange (ETDEWEB)

    Sachleben, Joseph R. [Biomolecular NMR Core Facility, University of Chicago, Chicago Illinois; Adhikari, Aashish N. [Department of Chemistry, University of Chicago, Chicago Illinois; Gawlak, Grzegorz [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Hoey, Robert J. [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Liu, Gaohua [Northeast Structural Genomics Consortium (NESG), Department of Molecular Biology and Biochemistry, School of Arts and Sciences, and Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, and Center for Advanced Biotechnology and Medicine, Rutgers, The State University of New Jersey, Piscataway New Jersey; Joachimiak, Andrzej [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Biological Sciences Division, Argonne National Laboratory, Argonne Illinois; Montelione, Gaetano T. [Northeast Structural Genomics Consortium (NESG), Department of Molecular Biology and Biochemistry, School of Arts and Sciences, and Department of Biochemistry and Molecular Biology, Robert Wood Johnson Medical School, and Center for Advanced Biotechnology and Medicine, Rutgers, The State University of New Jersey, Piscataway New Jersey; Sosnick, Tobin R. [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Koide, Shohei [Department of Biochemistry and Molecular Biology, University of Chicago, Chicago Illinois; Department of Biochemistry and Molecular Pharmacology and the Perlmutter Cancer Center, New York University School of Medicine, New York New York

    2016-11-10

    We determined the NMR structure of a highly aromatic (13%) protein of unknown function, Aq1974 from Aquifex aeolicus (PDB ID: 5SYQ). The unusual sequence of this protein has a tryptophan content five times the normal (six tryptophan residues of 114 or 5.2% while the average tryptophan content is 1.0%) with the tryptophans occurring in a WXW motif. It has no detectable sequence homology with known protein structures. Although its NMR spectrum suggested that the protein was rich in β-sheet, upon resonance assignment and solution structure determination, the protein was found to be primarily α-helical with a small two-stranded β-sheet with a novel fold that we have termed an Aromatic Claw. As this fold was previously unknown and the sequence unique, we submitted the sequence to CASP10 as a target for blind structural prediction. At the end of the competition, the sequence was classified a hard template based model; the structural relationship between the template and the experimental structure was small and the predictions all failed to predict the structure. CSRosetta was found to predict the secondary structure and its packing; however, it was found that there was little correlation between CSRosetta score and the RMSD between the CSRosetta structure and the NMR determined one. This work demonstrates that even in relatively small proteins, we do not yet have the capacity to accurately predict the fold for all primary sequences. The experimental discovery of new folds helps guide the improvement of structural prediction methods.

  17. Hexacoordinate bonding and aromaticity in silicon phthalocyanine.

    Science.gov (United States)

    Yang, Yang

    2010-12-23

    Si-E bondings in hexacoordinate silicon phthalocyanine were analyzed using bond order (BO), energy partition, atoms in molecules (AIM), electron localization function (ELF), and localized orbital locator (LOL). Bond models were proposed to explain differences between hexacoordinate and tetracoordinate Si-E bondings. Aromaticity of silicon phthalocyanine was investigated using nucleus-independent chemical shift (NICS), harmonic oscillator model of aromaticity (HOMA), conceptual density functional theory (DFT), ring critical point (RCP) descriptors, and delocalization index (DI). Structure, energy, bonding, and aromaticity of tetracoordinate silicon phthalocyanine were studied and compared with hexacoordinate one.

  18. Exploring the Validity Range of the Polarimetric Two-Scale Two-Component Model for Soil Moisture Retrieval by Using AGRISAR Data

    Science.gov (United States)

    Di Martino, Gerardo; Iodice, Antonio; Natale, Antonio; Riccio, Daniele; Ruello, Giuseppe

    2015-04-01

    The recently proposed polarimetric two-scale two- component model (PTSTCM) in principle allows us obtaining a reasonable estimation of the soil moisture even in moderately vegetated areas, where the volumetric scattering contribution is non-negligible, provided that the surface component is dominant and the double-bounce component is negligible. Here we test the PTSTCM validity range by applying it to polarimetric SAR data acquired on areas for which, at the same times of SAR acquisitions, ground measurements of soil moisture were performed. In particular, we employ the AGRISAR'06 database, which includes data from several fields covering a period that spans all the phases of vegetation growth.

  19. A novel outer-membrane anion channel (porin) as part of a putatively two-component transport system for 4-toluenesulphonate in Comamonas testosteroni T-2

    OpenAIRE

    Mampel, Jörg; Maier, Elke; Tralau, Tewes; Ruff, Jürgen; Benz, Roland; Cook, Alasdair M.

    2004-01-01

    Inducible mineralization of TSA (4-toluenesulphonate) by Comamonas testosteroni T-2 is initiated by a secondary transport system, followed by oxygenation and oxidation by TsaMBCD to 4-sulphobenzoate under the regulation of TsaR and TsaQ. Evidence is presented for a novel, presumably two-component transport system (TsaST). It is proposed that TsaT, an outer-membrane porin, formed an anion-selective channel that works in co-operation with the putative secondary transporter, TsaS, located in the...

  20. Pulse shape discrimination in non-aromatic plastics

    Energy Technology Data Exchange (ETDEWEB)

    Paul Martinez, H.; Pawelczak, Iwona; Glenn, Andrew M.; Leslie Carman, M.; Zaitseva, Natalia; Payne, Stephen

    2015-01-21

    Recently it has been demonstrated that plastic scintillators have the ability to distinguish neutrons from gamma rays by way of pulse shape discrimination (PSD). This discovery has lead to new materials and new capabilities. Here we report our work with the effects of aromatic, non-aromatic, and mixed aromatic/non-aromatic matrices have on the performance of PSD plastic scintillators.

  1. The two-component spin-fermion model for high-Tc cuprates: its applications in neutron scattering and ARPES experiments

    International Nuclear Information System (INIS)

    Bang, Yunkyu

    2012-01-01

    Motivated by neutron scattering experiments in high-T c cuprates, we propose the two-component spin-fermion model as a minimal phenomenological model, which has both local spins and itinerant fermions as independent degrees of freedom (d.o.f.). Our calculations of the dynamic spin correlation function provide a successful description of the puzzling neutron experiment data and show that: (i) the upward dispersion branch of magnetic excitations is mostly due to local spin excitations; (ii) the downward dispersion branch is from collective particle-hole excitations of fermions; and (iii) the resonance mode is a mixture of both d.o.f. Using the same model with the same set of parameters, we calculated the renormalized quasiparticle (q.p.) dispersion and successfully reproduced one of the key features of the angle-resolved photoemission spectroscopy (ARPES) experiments, namely the high-energy kink structure in the fermion q.p. dispersion, thus supporting the two-component spin-fermion phenomenology. (paper)

  2. Determination of Bisphenol A and Bisphenol AF in Vinegar samples by two-component mixed ionic liquid dispersive liquid-phase microextraction coupled with high performance liquid chromatography

    International Nuclear Information System (INIS)

    Tai, Z.; Liu, M.; Hu, X.; Yang, Y.

    2014-01-01

    This paper describes a sensitive and simple method for the determination of bisphenol A (BPA) and bisphenol AF (BPAF) in vinegar samples using two-component mixed ionic liquid dispersive liquid-phase microextraction coupled with high performance liquid chromatography. In this work, BPA and BPAF were selected as the model analytes, and two-component mixed ionic liquid included 1-butyl-3-methylimidazolium hexafluorophosphate ((C4Mim)PF6) and 1-hexyl-3-methyl-imidazolium hexafluorophosphate ((C6Mim)PF6) was used as the extraction solvent for the first time here. Parameters that affect the extraction efficiency were investigated. Under the optimum conditions, good linear relationships were discovered in the range of 1.0-100 micro g/L for BPA and 2.0-150 micro g/L for BPAF, respectively. Detection limits of proposed method based on the signal-to-noise ratio (S/N=3) were in the range of 0.15-0.38 micro g/L. The efficiencies of proposed method have also been demonstrated with spiked real vinegar samples. The result show this method/ procedure to be a more efficient approach for the determination of BPA and BPAF in real vinegar, presenting average recovery rate of 89.3-112 % and precision values of 0.9-13.5% (RSDs, n = 6). In comparison with traditional solid phase extraction procedures this method results in lower solvent consumption, low pollution levels, and faster sample preparation. (author)

  3. STED Imaging of Golgi Dynamics with Cer-SiR: A Two-Component, Photostable, High-Density Lipid Probe for Live Cells.

    Science.gov (United States)

    Erdmann, Roman S; Toomre, Derek; Schepartz, Alanna

    2017-01-01

    Long time-lapse super-resolution imaging in live cells requires a labeling strategy that combines a bright, photostable fluorophore with a high-density localization probe. Lipids are ideal high-density localization probes, as they are >100 times more abundant than most membrane-bound proteins and simultaneously demark the boundaries of cellular organelles. Here, we describe Cer-SiR, a two-component, high-density lipid probe that is exceptionally photostable. Cer-SiR is generated in cells via a bioorthogonal reaction of two components: a ceramide lipid tagged with trans-cyclooctene (Cer-TCO) and a reactive, photostable Si-rhodamine dye (SiR-Tz). These components assemble within the Golgi apparatus of live cells to form Cer-SiR. Cer-SiR is benign to cellular function, localizes within the Golgi at a high density, and is sufficiently photostable to enable visualization of Golgi structure and dynamics by 3D confocal or long time-lapse STED microscopy.

  4. I. A model for the magnetic equation of state of liquid 3He. II. An induced interaction model for a two-component Fermi liquid

    International Nuclear Information System (INIS)

    Sanchez-Castro, C.R.

    1988-01-01

    This dissertation is divided in six chapters. Chapter 1 is an introduction to the rest of the dissertation. In it, the author presents the different models for the magnetic equation state of liquid 3 He, a derivation of the induced interaction equations for a one component Fermi liquid, and discuss the basic hamiltonian describing the heavy fermion compounds. In Chapter 2 and Chapter 3, he presents a complete discussion of the thermodynamics and Landau theory of a spin polarized Fermi liquid. A phenomenological model is then developed to predict the polarization dependence of the longitudinal Landau parameters in liquid 3 He. This model predicts a new magnetic equation of state and the possibility of liquid 3 He being 'nearly metamagnetic' at high pressures. Chapter 4 contains a microscopic calculation of the magnetic field dependence of the Landau parameters in a strongly correlated Fermi system using the induced interaction model. The system he studied consists of a single component Fermi liquid with parabolic energy bands, and a large on-site repulsive interaction. In Chapter 5, he presents a complete discussion of the Landau theory of a two component Fermi liquid. Then, he generalizes the induced interaction equations to calculate Landau parameters and scattering amplitudes for an arbitrary, spin polarized, two component Fermi liquid. The resulting equations are used to study a model for the heavy fermion Fermi liquid state: a two band electronic system with an antiferromagnetic interaction between the two bands. Chapter 6 contains the concluding remarks of the dissertation

  5. Control of CydB and GltA1 expression by the SenX3 RegX3 two component regulatory system of Mycobacterium tuberculosis.

    Directory of Open Access Journals (Sweden)

    Gretta Roberts

    Full Text Available Two component regulatory systems are used widely by bacteria to coordinate changes in global gene expression profiles in response to environmental signals. The SenX3-RegX3 two component system of Mycobacterium tuberculosis has previously been shown to play a role in virulence and phosphate-responsive control of gene expression. We demonstrate that expression of SenX3-RegX3 is controlled in response to growth conditions, although the absolute changes are small. Global gene expression profiling of a RegX3 deletion strain and wild-type strain in different culture conditions (static, microaerobic, anaerobic, as well as in an over-expressing strain identified a number of genes with changed expression patterns. Among those were genes previously identified as differentially regulated in aerobic culture, including ald (encoding alanine dehydrogenase cyd,encoding a subunit of the cytochrome D ubiquinol oxidase, and gltA1, encoding a citrate synthase. Promoter activity in the upstream regions of both cydB and gltA1 was altered in the RegX3 deletion strain. DNA-binding assays confirmed that RegX3 binds to the promoter regions of ald, cydB and gltA1 in a phosphorylation-dependent manner. Taken together these data suggest a direct role for the SenX-RegX3 system in modulating expression of aerobic respiration, in addition to its role during phosphate limitation.

  6. Microbial transformation of chlorinated aromatics in sediments

    NARCIS (Netherlands)

    Beurskens, J.E.M.

    1995-01-01

    Numerous contaminants like heavy metals, polycyclic aromatic hydrocarbons (PAHs), chlorinated benzenes (CBs), polychlorinated biphenyls (PCBs), polychlorinated dibenzo- p -dioxins (PCDDs) and polychlorinated furans (PCDFs) are detected in the major rivers in the

  7. Volatilisation of aromatic hydrocarbons from soil

    DEFF Research Database (Denmark)

    Lindhardt, B.; Christensen, T.H.

    1996-01-01

    The non-steady-state fluxes of aromatic hydrocarbons were measured in the laboratory from the surface of soils contaminated with coal tar Four soil samples from a former gasworks site were used for the experiments. The fluxes were quantified for 11 selected compounds, 4 mono- and 7 polycyclic...... aromatic hydrocarbons, for a period of up to 8 or 16 days. The concentrations of the selected compounds in the soils were between 0.2 and 3,100 mu g/g. The study included the experimental determination of the distribution coefficient of the aromatic hydrocarbons between the sorbed phase and the water under...... saturated conditions. The determined distribution coefficients showed that the aromatic hydrocarbons were more strongly sorbed to the total organic carbon including the coal tar pitch - by a factor of 8 to 25 - than expected for natural organic matter. The fluxes were also estimated using an analytical...

  8. International congress on aromatic and medicinal plants

    International Nuclear Information System (INIS)

    2009-01-01

    Full Text : In Morocco, medicinal and aromatic plants occupy an important place in the traditional care system of a large number of local people. They are also economically strong potential, but unfortunately they are not valued enough. Indeed, Morocco by its privileged geographical position in the Mediterranean basin and its floristic diversity (with a total of over 4,200 species and subspecies of which over 500 are recognized as medicinal and aromatic plants), is a leading provider of traditional global market. In this context and given the back label of the natural global, group research and studies on Aromatic and Medicinal Plants (GREPAM), the Faculty of Semlalia and University Cadi Ayyad, organize: the International Congress on Medicinal and Aromatic Plants CIPAM 2009. The organization of this conference is part of scientific research developed by the GREPAM. [fr

  9. Sodium Perborate Oxidation of an Aromatic Amine

    Science.gov (United States)

    Juestis, Laurence

    1977-01-01

    Describes an experiment involving the oxidation of aromatic primary amines to the corresponding azo compound; suggests procedures for studying factors that influence the yield of such a reaction, including the choice of solvent and the oxidant-amine ratio. (MLH)

  10. Polycyclic aromatic hydrocarbons (PAHs) degradation by laccase ...

    African Journals Online (AJOL)

    PRECIOUS

    2009-11-02

    Nov 2, 2009 ... Full Length Research Paper. Polycyclic aromatic ... production of paper, feeds, chemicals and fuels there is ... microbes with the production of lignin-modifying enzymes ... enable white rot fungi to degrade a variety of toxic.

  11. PROTONATED POLYCYCLIC AROMATIC HYDROCARBONS REVISITED

    International Nuclear Information System (INIS)

    Ricca, Alessandra; Bauschlicher, Charles W. Jr; Allamandola, Louis J.

    2011-01-01

    We reconsider the contribution that singly protonated polycyclic aromatic hydrocarbons (PAHs; HPAH + s) might make to the Class A component of the 6.2 μm interstellar emission feature in light of the recent experimental measurements of protonated naphthalene and coronene. Our calculations on the small HPAH + s have a band near 6.2 μm, as found in experiment. While the larger HPAH + s still have emission near 6.2 μm, the much larger intensity of the band near 6.3 μm overwhelms the weaker band at 6.2 μm, so that the 6.2 μm band is barely visible. Since the large PAHs are more representative of those in the interstellar medium, our work suggests that large HPAH + s cannot be major contributors to the observed emission at 6.2 μm (i.e., Class A species). Saturating large PAH cations with hydrogen atoms retains the 6.2 μm Class A band position, but the rest of the spectrum is inconsistent with observed spectra.

  12. AN AROMATIC INVENTORY OF THE LOCAL VOLUME

    International Nuclear Information System (INIS)

    Marble, A. R.; Engelbracht, C. W.; Block, M.; Van Zee, L.; Dale, D. A.; Cohen, S. A.; Schuster, M. D.; Smith, J. D. T.; Gordon, K. D.; Wu, Y.; Lee, J. C.; Kennicutt, R. C.; Skillman, E. D.; Johnson, L. C.; Calzetti, D.; Lee, H.

    2010-01-01

    Using infrared photometry from the Spitzer Space Telescope, we perform the first inventory of aromatic feature emission (also commonly referred to as polycyclic aromatic hydrocarbon emission) for a statistically complete sample of star-forming galaxies in the local volume. The photometric methodology involved is calibrated and demonstrated to recover the aromatic fraction of the Infrared Array Camera 8 μm flux with a standard deviation of 6% for a training set of 40 SINGS galaxies (ranging from stellar to dust dominated) with both suitable mid-infrared Spitzer Infrared Spectrograph spectra and equivalent photometry. A potential factor of 2 improvement could be realized with suitable 5.5 μm and 10 μm photometry, such as what may be provided in the future by the James Webb Space Telescope. The resulting technique is then applied to mid-infrared photometry for the 258 galaxies from the Local Volume Legacy (LVL) survey, a large sample dominated in number by low-luminosity dwarf galaxies for which obtaining comparable mid-infrared spectroscopy is not feasible. We find the total LVL luminosity due to five strong aromatic features in the 8 μm complex to be 2.47 x 10 10 L sun with a mean volume density of 8.8 x 10 6 L sun Mpc -3 . Twenty-four of the LVL galaxies, corresponding to a luminosity cut at M B = -18.22, account for 90% of the aromatic luminosity. Using oxygen abundances compiled from the literature for 129 of the 258 LVL galaxies, we find a correlation between metallicity and the aromatic-to-total infrared emission ratio but not the aromatic-to-total 8 μm dust emission ratio. A possible explanation is that metallicity plays a role in the abundance of aromatic molecules relative to the total dust content, but other factors, such as star formation and/or the local radiation field, affect the excitation of those molecules.

  13. An analysis of few-body cross sections in pp and πp interactions in terms of the two-component picture

    International Nuclear Information System (INIS)

    Karimaeki, V.

    1975-01-01

    The energy behaviour of total cross sections of exclusive channel with one, two or three produced pions has been studied in pp and πp interactions. Two components, interpreted as diffractive and non-diffractive, have been fitted to the cross section data assuming an asymptotic power law dependence in psub(lab) for both. Isotopic spin factors were used as constraints to fit different charge channels simultaneously as well as for determining diffractive cross sections for non-observable few-body channels. The diffractive component for fixed multiplicity is found to decrease as psub(lab)sup(-0.16+-0.04). Results are compared with the predictions of factorization and semilocal factorization hypotheses. Total diffractive cross sections derived by the analysis are 5.1+-0.6 mb in pp and 2.2+-0.3 mb in πp interactions at psub(lab)=10 GeV/c. (author)

  14. Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering

    Science.gov (United States)

    Vorberger, J.; Chapman, D. A.

    2018-01-01

    We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

  15. Construction of Methanol-Sensing Escherichia coli by the Introduction of a Paracoccus denitrificans MxaY-Based Chimeric Two-Component System.

    Science.gov (United States)

    Ganesh, Irisappan; Vidhya, Selvamani; Eom, Gyeong Tae; Hong, Soon Ho

    2017-06-28

    Escherichia coli was engineered to sense methanol by employing a chimeric two-component system (TCS) strategy. A chimeric MxaY/EnvZ (MxaYZ) TCS was constructed by fusing the Paracoccus denitrificans MxaY with the E. coli EnvZ. Real-time quantitative PCR analysis and GFP-based fluorescence analysis showed maximum transcription of ompC and the fluorescence at 0.01% of methanol, respectively. These results suggested that E. coli was successfully engineered to sense methanol by the introduction of chimeric MxaYZ. By using this strategy, various chimeric TCS-based bacterial biosensors can be constructed and used for the development of biochemical-producing recombinant microorganisms.

  16. Local unitary transformation method for large-scale two-component relativistic calculations: case for a one-electron Dirac Hamiltonian.

    Science.gov (United States)

    Seino, Junji; Nakai, Hiromi

    2012-06-28

    An accurate and efficient scheme for two-component relativistic calculations at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level is presented. The present scheme, termed local unitary transformation (LUT), is based on the locality of the relativistic effect. Numerical assessments of the LUT scheme were performed in diatomic molecules such as HX and X(2) (X = F, Cl, Br, I, and At) and hydrogen halide clusters, (HX)(n) (X = F, Cl, Br, and I). Total energies obtained by the LUT method agree well with conventional IODKH results. The computational costs of the LUT method are drastically lower than those of conventional methods since in the former there is linear-scaling with respect to the system size and a small prefactor.

  17. Mixing of two-component flow in a simplified stirred tank with cellular automaton method; Cellular automaton ho ni yoru kakuhan sonai no niseibunryu no kongo keisan

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, S; Takahashi, R [Tokyo Institute of Technology, Tokyo (Japan)

    1996-01-25

    The applicability of a cellular automaton technique to engineering problems will be examined by dealing with mixing in multicomponent flow. The quality and accumulation rate of the product depend on the mixing of raw materials basically. After thoroughly understanding the mixing process, we optimize the geometrical allocation of such elements as a propeller with casing, a chimney and a product output nozzle in a reactor. Usually mixing is formulated by partial differential equations of conservation laws and empirical formulae, and solved numerically by the finite difference technique. In order to evaluate the fine structure of time-dependent interfacial behavior in multicomponent flow, the cellular automaton technique is used, since this has an advantage of describing the pattern formation in detail. It will be demonstrated in the present paper that mixing of two-component immiscible flow is reasonably simulated mesoscopically. 13 refs., 17 figs.

  18. Chromatographic studies on thermal and radiolytic degradation of n-dodecane-HNO3 two components system and its purification employing silica gel treatment

    International Nuclear Information System (INIS)

    Kadam, Prashant; Kaushik, C.P.; Ozarde, P.D.; Bindu, M.; Tripathi, S.C.; Jambunathan, U.; Pandit, G.G.

    2005-01-01

    This paper describes the studies carried out to examine the extent of degradation of n-dodecane at elevated temperature for different time periods and the effect of gamma radiolysis at different absorbed dose, in n-dodecane- nitric acid two components system. The studies also involved the identification of the degradation products formed during above process using GC-MS. A large number of degradation products were observed. Formation of degradation products increases with absorbed dose and time of heating. Further purification of degraded dodecane was carried out with silica gel crystals as an adsorbent. Treated dodecane samples were subjected to GC/GC-MS analysis, to confirm the extent of removal degradation products. (author)

  19. The collision of multimode dromions and a firewall in the two-component long-wave-short-wave resonance interaction equation

    International Nuclear Information System (INIS)

    Radha, R; Kumar, C Senthil; Lakshmanan, M; Gilson, C R

    2009-01-01

    In this communication, we investigate the two-component long-wave-short-wave resonance interaction equation and show that it admits the Painleve property. We then suitably exploit the recently developed truncated Painleve approach to generate exponentially localized solutions for the short-wave components S (1) and S (2) while the long wave L admits a line soliton only. The exponentially localized solutions driving the short waves S (1) and S (2) in the y-direction are endowed with different energies (intensities) and are called 'multimode dromions'. We also observe that the multimode dromions suffer from intramodal inelastic collision while the existence of a firewall across the modes prevents the switching of energy between the modes. (fast track communication)

  20. Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering.

    Science.gov (United States)

    Vorberger, J; Chapman, D A

    2018-01-01

    We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

  1. Impact of the Staphylococcus epidermidis LytSR two-component regulatory system on murein hydrolase activity, pyruvate utilization and global transcriptional profile

    Directory of Open Access Journals (Sweden)

    Yu Fangyou

    2010-11-01

    Full Text Available Abstract Background Staphylococcus epidermidis has emerged as one of the most important nosocomial pathogens, mainly because of its ability to colonize implanted biomaterials by forming a biofilm. Extensive studies are focused on the molecular mechanisms involved in biofilm formation. The LytSR two-component regulatory system regulates autolysis and biofilm formation in Staphylococcus aureus. However, the role of LytSR played in S. epidermidis remained unknown. Results In the present study, we demonstrated that lytSR knock-out in S. epidermidis did not alter susceptibility to Triton X-100 induced autolysis. Quantitative murein hydrolase assay indicated that disruption of lytSR in S. epidermidis resulted in decreased activities of extracellular murein hydrolases, although zymogram showed no apparent differences in murein hydrolase patterns between S. epidermidis strain 1457 and its lytSR mutant. Compared to the wild-type counterpart, 1457ΔlytSR produced slightly more biofilm, with significantly decreased dead cells inside. Microarray analysis showed that lytSR mutation affected the transcription of 164 genes (123 genes were upregulated and 41 genes were downregulated. Specifically, genes encoding proteins responsible for protein synthesis, energy metabolism were downregulated, while genes involved in amino acid and nucleotide biosynthesis, amino acid transporters were upregulated. Impaired ability to utilize pyruvate and reduced activity of arginine deiminase was observed in 1457ΔlytSR, which is consistent with the microarray data. Conclusions The preliminary results suggest that in S. epidermidis LytSR two-component system regulates extracellular murein hydrolase activity, bacterial cell death and pyruvate utilization. Based on the microarray data, it appears that lytSR inactivation induces a stringent response. In addition, LytSR may indirectly enhance biofilm formation by altering the metabolic status of the bacteria.

  2. The NtrY-NtrX two-component system is involved in controlling nitrate assimilation in Herbaspirillum seropedicae strain SmR1.

    Science.gov (United States)

    Bonato, Paloma; Alves, Lysangela R; Osaki, Juliana H; Rigo, Liu U; Pedrosa, Fabio O; Souza, Emanuel M; Zhang, Nan; Schumacher, Jörg; Buck, Martin; Wassem, Roseli; Chubatsu, Leda S

    2016-11-01

    Herbaspirillum seropedicae is a diazotrophic β-Proteobacterium found endophytically associated with gramineae (Poaceae or graminaceous plants) such as rice, sorghum and sugar cane. In this work we show that nitrate-dependent growth in this organism is regulated by the master nitrogen regulatory two-component system NtrB-NtrC, and by NtrY-NtrX, which functions to specifically regulate nitrate metabolism. NtrY is a histidine kinase sensor protein predicted to be associated with the membrane and NtrX is the response regulator partner. The ntrYntrX genes are widely distributed in Proteobacteria. In α-Proteobacteria they are frequently located downstream from ntrBC, whereas in β-Proteobacteria these genes are located downstream from genes encoding an RNA methyltransferase and a proline-rich protein with unknown function. The NtrX protein of α-Proteobacteria has an AAA+ domain, absent in those from β-Proteobacteria. An ntrY mutant of H. seropedicae showed the wild-type nitrogen fixation phenotype, but the nitrate-dependent growth was abolished. Gene fusion assays indicated that NtrY is involved in the expression of genes coding for the assimilatory nitrate reductase as well as the nitrate-responsive two-component system NarX-NarL (narK and narX promoters, respectively). The purified NtrX protein was capable of binding the narK and narX promoters, and the binding site at the narX promoter for the NtrX protein was determined by DNA footprinting. In silico analyses revealed similar sequences in other promoter regions of H. seropedicae that are related to nitrate assimilation, supporting the role of the NtrY-NtrX system in regulating nitrate metabolism in H. seropedicae. © 2016 Federation of European Biochemical Societies.

  3. A connecter-like factor, CacA, links RssB/RpoS and the CpxR/CpxA two-component system in Salmonella.

    Science.gov (United States)

    Kato, Akinori; Hayashi, Hironori; Nomura, Wataru; Emori, Haruka; Hagihara, Kei; Utsumi, Ryutaro

    2012-10-02

    Bacteria integrate numerous environmental stimuli when generating cellular responses. Increasing numbers of examples describe how one two-component system (TCS) responds to signals detected by the sensor of another TCS. However, the molecular mechanisms underlying this phenomenon remain poorly defined. Here, we report a connector-like factor that affects the activity of the CpxR/CpxA two-component system in Salmonella enterica serovar Typhimurium. We isolated a clone that induced the expression of a cpxP-lac gene fusion from a high-copy-number plasmid pool of random Salmonella genomic fragments. A 63-amino acid protein, CacA, was responsible for the CpxA/CpxR-dependent activation of the cpxP gene. The CpxR-activated genes cpxP and spy exhibited approximately 30% and 50% reductions in transcription, respectively, in a clean cacA deletion mutant strain in comparison to wild-type. From 33 response regulator (RR) deletion mutants, we identified that the RssB regulator represses cacA transcription. Substitution mutations in a conserved -10 region harboring the RNA polymerase recognition sequence, which is well conserved with a known RpoS -10 region consensus sequence, rendered the cacA promoter RpoS-independent. The CacA-mediated induction of cpxP transcription was affected in a trxA deletion mutant, which encodes thioredoxin 1, suggesting a role for cysteine thiol-disulfide exchange(s) in CacA-dependent Cpx activation. We identified CacA as an activator of the CpxR/CpxA system in the plasmid clone. We propose that CacA may integrate the regulatory status of RssB/RpoS into the CpxR/CpxA system. Future investigations are necessary to thoroughly elucidate how CacA activates the CpxR/CpxA system.

  4. A connecter-like factor, CacA, links RssB/RpoS and the CpxR/CpxA two-component system in Salmonella

    Directory of Open Access Journals (Sweden)

    Kato Akinori

    2012-10-01

    Full Text Available Abstract Background Bacteria integrate numerous environmental stimuli when generating cellular responses. Increasing numbers of examples describe how one two-component system (TCS responds to signals detected by the sensor of another TCS. However, the molecular mechanisms underlying this phenomenon remain poorly defined. Results Here, we report a connector-like factor that affects the activity of the CpxR/CpxA two-component system in Salmonella enterica serovar Typhimurium. We isolated a clone that induced the expression of a cpxP-lac gene fusion from a high-copy-number plasmid pool of random Salmonella genomic fragments. A 63-amino acid protein, CacA, was responsible for the CpxA/CpxR-dependent activation of the cpxP gene. The CpxR-activated genes cpxP and spy exhibited approximately 30% and 50% reductions in transcription, respectively, in a clean cacA deletion mutant strain in comparison to wild-type. From 33 response regulator (RR deletion mutants, we identified that the RssB regulator represses cacA transcription. Substitution mutations in a conserved -10 region harboring the RNA polymerase recognition sequence, which is well conserved with a known RpoS -10 region consensus sequence, rendered the cacA promoter RpoS-independent. The CacA-mediated induction of cpxP transcription was affected in a trxA deletion mutant, which encodes thioredoxin 1, suggesting a role for cysteine thiol-disulfide exchange(s in CacA-dependent Cpx activation. Conclusions We identified CacA as an activator of the CpxR/CpxA system in the plasmid clone. We propose that CacA may integrate the regulatory status of RssB/RpoS into the CpxR/CpxA system. Future investigations are necessary to thoroughly elucidate how CacA activates the CpxR/CpxA system.

  5. Two-component mantle melting-mixing model for the generation of mid-ocean ridge basalts: Implications for the volatile content of the Pacific upper mantle

    Science.gov (United States)

    Shimizu, Kei; Saal, Alberto E.; Myers, Corinne E.; Nagle, Ashley N.; Hauri, Erik H.; Forsyth, Donald W.; Kamenetsky, Vadim S.; Niu, Yaoling

    2016-03-01

    We report major, trace, and volatile element (CO2, H2O, F, Cl, S) contents and Sr, Nd, and Pb isotopes of mid-ocean ridge basalt (MORB) glasses from the Northern East Pacific Rise (NEPR) off-axis seamounts, the Quebrada-Discovery-GoFar (QDG) transform fault system, and the Macquarie Island. The incompatible trace element (ITE) contents of the samples range from highly depleted (DMORB, Th/La ⩽ 0.035) to enriched (EMORB, Th/La ⩾ 0.07), and the isotopic composition spans the entire range observed in EPR MORB. Our data suggest that at the time of melt generation, the source that generated the EMORB was essentially peridotitic, and that the composition of NMORB might not represent melting of a single upper mantle source (DMM), but rather mixing of melts from a two-component mantle (depleted and enriched DMM or D-DMM and E-DMM, respectively). After filtering the volatile element data for secondary processes (degassing, sulfide saturation, assimilation of seawater-derived component, and fractional crystallization), we use the volatiles to ITE ratios of our samples and a two-component mantle melting-mixing model to estimate the volatile content of the D-DMM (CO2 = 22 ppm, H2O = 59 ppm, F = 8 ppm, Cl = 0.4 ppm, and S = 100 ppm) and the E-DMM (CO2 = 990 ppm, H2O = 660 ppm, F = 31 ppm, Cl = 22 ppm, and S = 165 ppm). Our two-component mantle melting-mixing model reproduces the kernel density estimates (KDE) of Th/La and 143Nd/144Nd ratios for our samples and for EPR axial MORB compiled from the literature. This model suggests that: (1) 78% of the Pacific upper mantle is highly depleted (D-DMM) while 22% is enriched (E-DMM) in volatile and refractory ITE, (2) the melts produced during variable degrees of melting of the E-DMM controls most of the MORB geochemical variation, and (3) a fraction (∼65% to 80%) of the low degree EMORB melts (produced by ∼1.3% melting) may escape melt aggregation by freezing at the base of the oceanic lithosphere, significantly enriching it in

  6. Regulation of the Two-Component Regulator CpxR on Aminoglycosides and β-lactams Resistance in Salmonella enterica Serovar Typhimurium

    Directory of Open Access Journals (Sweden)

    Hui eHuang

    2016-04-01

    Full Text Available The two-component signal transduction system CpxAR is especially widespread in Gram-negative bacteria. It has been reported that CpxAR contributes to the multidrug resistance (MDR in Escherichia coli. CpxR is a response regulator in the two-component CpxAR system. The aim of this study was to explore the role of cpxR in the MDR of S. enterica serovar Typhimurium. The minimal inhibitory concentrations (MICs of various antibiotics commonly used in veterinary medicine for strains JS (a multidrug-susceptible standard strain of S. enterica serovar Typhimurium, JS△cpxR, JS△cpxR/pcpxR, JS△cpxR/pcpxR*, JS△cpxR△acrB, JS△cpxR△acrB/pcpxR, JS△cpxR△acrB/pcpxR*, 9 S. enterica serovar Typhimurium isolates (SH1–9, and SH1–9△cpxR were determined by the 2-fold broth microdilution method. The relative mRNA expression levels of ompF, ompC, ompW, ompD, tolC, acrB, acrD, acrF, mdtA, marA, and soxS in strains JS, JS△cpxR, and JS△cpxR/pcpxR were detected by real-time PCR. The results showed 2- to 4-fold decreases in the MICs of amikacin (AMK, gentamycin (GEN, apramycin (APR, neomycin (NEO, ceftriaxone (CRO, ceftiofur (CEF, and cefquinome (CEQ for strain JS△cpxR, as compared to those for the parental strain JS. Likewise, SH1–9△cpxR were found to have 2- to 8-fold reduction in resistance to the above antibiotics, except for NEO, as compared to their parental strains SH1–9. Furthermore, 2- to 4-fold further decreases in the MICs of AMK, GEN, APR, and CEF for strain JS△cpxR△acrB were observed, as compared to those for strain JS△acrB. In addition, CpxR overproduction in strain JS△cpxR led to significant decreases in the mRNA expression levels of ompF, ompC, ompW, ompD, tolC, acrB, marA, and soxS, and significant increases in those of stm3031 and stm1530. Notably, after all strains were induced simultaneously by GEN to the 15th passage at subinhibitory concentrations, strain JS△cpxR/pcpxR showed significant increases in m

  7. Ion beam irradiation effects on aromatic polymers

    International Nuclear Information System (INIS)

    Shukushima, Satoshi; Ueno, Keiji

    1995-01-01

    We studied the optical and thermal properties of aromatic polymer films which had been irradiated with 1 MeV H + , H 2 + and He + ions. The examined aromatic polymers were polyetherether ketone(PEEK), polyetherimide(PEI), polyether sulfon(PES), polysulfon(PSF), and polyphenylene sulfide(PPS). The optical densities at 300nm of PES and PSF greatly increased after the irradiation. The optical densities at 400nm of all the examined polymer lineally increased with the irradiation dose. The PEEK film which had been irradiated with 1 MeV H + was not deformed above melting point. This demonstrates that cross-linking occurs in PEEK films by ion beam irradiation. As for the effects, depending on the mass of the irradiated ions, it was found that the ions with a high mass induced larger effects on the aromatic polymers for the same absorption energy. (author)

  8. Identification of genes for small non-coding RNAs that belong to the regulon of the two-component regulatory system CiaRH in Streptococcus

    Directory of Open Access Journals (Sweden)

    Hakenbeck Regine

    2010-11-01

    Full Text Available Abstract Background Post-transcriptional regulation by small RNAs (sRNAs in bacteria is now recognized as a wide-spread regulatory mechanism modulating a variety of physiological responses including virulence. In Streptococcus pneumoniae, an important human pathogen, the first sRNAs to be described were found in the regulon of the CiaRH two-component regulatory system. Five of these sRNAs were detected and designated csRNAs for cia-dependent small RNAs. CiaRH pleiotropically affects β-lactam resistance, autolysis, virulence, and competence development by yet to be defined molecular mechanisms. Since CiaRH is highly conserved among streptococci, it is of interest to determine if csRNAs are also included in the CiaRH regulon in this group of organisms consisting of commensal as well as pathogenic species. Knowledge on the participation of csRNAs in CiaRH-dependent regulatory events will be the key to define the physiological role of this important control system. Results Genes for csRNAs were predicted in streptococcal genomes and data base entries other than S. pneumoniae by searching for CiaR-activated promoters located in intergenic regions that are followed by a transcriptional terminator. 61 different candidate genes were obtained specifying csRNAs ranging in size from 51 to 202 nt. Comparing these genes among each other revealed 40 different csRNA types. All streptococcal genomes harbored csRNA genes, their numbers varying between two and six. To validate these predictions, S. mitis, S. oralis, and S. sanguinis were subjected to csRNA-specific northern blot analysis. In addition, a csRNA gene from S. thermophilus plasmid pST0 introduced into S. pneumoniae was also tested. Each of the csRNAs was detected on these blots and showed the anticipated sizes. Thus, the method applied here is able to predict csRNAs with high precision. Conclusions The results of this study strongly suggest that genes for small non-coding RNAs, csRNAs, are part of

  9. Global aromatics supply. Today and tomorrow

    Energy Technology Data Exchange (ETDEWEB)

    Bender, M. [BASF SE, Ludwigshafen (Germany)

    2013-11-01

    Aromatics are the essential building blocks for some of the largest petrochemical products in today's use. To the vast majority they are consumed to produce intermediates for polymer products and, hence, contribute to our modern lifestyle. Their growth rates are expected to be in line with GDP growth in future. This contrasts the significantly lower growth rates of the primary sources for aromatics - fuel processing and steam cracking of naphtha fractions. A supply gap can be expected to open up in future for which creative solutions will be required. (orig.)

  10. Production of aromatics from di- and polyoxygenates

    Energy Technology Data Exchange (ETDEWEB)

    Beck, Taylor; Blank, Brian; Jones, Casey; Woods, Elizabeth; Cortright, Randy

    2017-07-04

    Methods, catalysts, and reactor systems for producing in high yield aromatic chemicals and liquid fuels from a mixture of oxygenates comprising di- and polyoxygenates are disclosed. Also disclosed are methods, catalysts, and reactor systems for producing aromatic chemicals and liquid fuels from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like; and methods, catalysts, and reactor systems for producing the mixture of oxygenates from oxygenated hydrocarbons such as carbohydrates, sugars, sugar alcohols, sugar degradation products, and the like. The disclosed catalysts for preparing the mixture of oxygenates comprise a Ni.sub.nSn.sub.m alloy and a crystalline alumina support.

  11. Transformations of Aromatic Compounds by Nitrosomonas europaea

    OpenAIRE

    Keener, William K.; Arp, Daniel J.

    1994-01-01

    Benzene and a variety of substituted benzenes inhibited ammonia oxidation by intact cells of Nitrosomonas europaea. In most cases, the inhibition was accompanied by transformation of the aromatic compound to a more oxidized product or products. All products detected were aromatic, and substituents were often oxidized but were not separated from the benzene ring. Most transformations were enhanced by (NH4)2SO4 (12.5 mM) and were prevented by C2H2, a mechanism-based inactivator of ammonia monoo...

  12. Silicone elastomers with aromatic voltage stabilizers

    DEFF Research Database (Denmark)

    A Razak, Aliff Hisyam; Skov, Anne Ladegaard

    of electron-trapping by aromatic compounds grafted to silicone backbones in a crosslinked PDMS is illustrated in Fig. 1. The electrical breakdown strength, the storage modulus and the loss modulus of the elastomer were investigated, as well as the excitation energy from the collision between electron carriers...... and benzene rings in PDMS-PPMS copolymer was measured by UV-vis spectroscopy. The developed elastomers were inherently soft with enhanced electrical breakdown strength due to delocalized pi-electrons of aromatic rings attached to the silicone backbone. The dielectric relative permittivity of PDMS...

  13. Engineering Aromatic-Aromatic Interactions To Nucleate Folding in Intrinsically Disordered Regions of Proteins.

    Science.gov (United States)

    Balakrishnan, Swati; Sarma, Siddhartha P

    2017-08-22

    Aromatic interactions are an important force in protein folding as they combine the stability of a hydrophobic interaction with the selectivity of a hydrogen bond. Much of our understanding of aromatic interactions comes from "bioinformatics" based analyses of protein structures and from the contribution of these interactions to stabilizing secondary structure motifs in model peptides. In this study, the structural consequences of aromatic interactions on protein folding have been explored in engineered mutants of the molten globule protein apo-cytochrome b 5 . Structural changes from disorder to order due to aromatic interactions in two variants of the protein, viz., WF-cytb5 and FF-cytb5, result in significant long-range secondary and tertiary structure. The results show that 54 and 52% of the residues in WF-cytb5 and FF-cytb5, respectively, occupy ordered regions versus 26% in apo-cytochrome b 5 . The interactions between the aromatic groups are offset-stacked and edge-to-face for the Trp-Phe and Phe-Phe mutants, respectively. Urea denaturation studies indicate that both mutants have a C m higher than that of apo-cytochrome b 5 and are more stable to chaotropic agents than apo-cytochrome b 5 . The introduction of these aromatic residues also results in "trimer" interactions with existing aromatic groups, reaffirming the selectivity of the aromatic interactions. These studies provide insights into the aromatic interactions that drive disorder-to-order transitions in intrinsically disordered regions of proteins and will aid in de novo protein design beyond small peptide scaffolds.

  14. Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes

    Science.gov (United States)

    Smith, R.E.; Dolbeare, F.A.

    1980-10-21

    Analysis of proteinases is accomplished using conventional amino acid containing aromatic amine substrates. Aromatic amines such as 4-methoxy-2-naphthylamine (4M2NA), 2-naphthylamine, aminoisophthalic acid dimethyl ester, p-nitroaniline, 4-methoxy-1-aminofluorene and coumarin derivatives resulting from enzymatic hydrolysis of the substrate couples with aromatic aldehydes such as 5-nitrosalicylaldehyde (5-NSA), benzaldehyde and p-nitrobenzaldehyde to produce Schiff-base complexes which are water insoluble. Certain Schiff-base complexes produce a shift from blue to orange-red (visible) fluorescence. Such complexes are useful in the assay of enzymes. No Drawings

  15. Triggering sporulation in Bacillus subtilis with artificial two-component systems reveals the importance of proper Spo0A activation dynamics.

    Science.gov (United States)

    Vishnoi, Monika; Narula, Jatin; Devi, Seram Nganbiton; Dao, Hoang-Anh; Igoshin, Oleg A; Fujita, Masaya

    2013-10-01

    Sporulation initiation in Bacillus subtilis is controlled by the phosphorylated form of the master regulator Spo0A which controls transcription of a multitude of sporulation genes. In this study, we investigated the importance of temporal dynamics of phosphorylated Spo0A (Spo0A∼P) accumulation by rewiring the network controlling its phosphorylation. We showed that simultaneous induction of KinC, a kinase that can directly phosphorylate Spo0A, and Spo0A itself from separately controlled inducible promoters can efficiently trigger sporulation even under nutrient rich conditions. However, the sporulation efficiency in this artificial two-component system was significantly impaired when KinC and/or Spo0A induction was too high. Using mathematical modelling, we showed that gradual accumulation of Spo0A∼P is essential for the proper temporal order of the Spo0A regulon expression, and that reduction in sporulation efficiency results from the reversal of that order. These insights led us to identify premature repression of DivIVA as one possible explanation for the adverse effects of accelerated accumulation of Spo0A∼P on sporulation. Moreover, we found that positive feedback resulting from autoregulation of the native spo0A promoter leads to robust control of Spo0A∼P accumulation kinetics. Thus we propose that a major function of the conserved architecture of the sporulation network is controlling Spo0A activation dynamics. © 2013 John Wiley & Sons Ltd.

  16. Calculations of electric dipole moments and static dipole polarizabilities based on the two-component normalized elimination of the small component method

    Science.gov (United States)

    Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

    2016-11-01

    The analytical energy gradient and Hessian of the two-component Normalized Elimination of the Small Component (2c-NESC) method with regard to the components of the electric field are derived and used to calculate spin-orbit coupling (SOC) corrected dipole moments and dipole polarizabilities of molecules, which contain elements with high atomic number. Calculated 2c-NESC dipole moments and isotropic polarizabilities agree well with the corresponding four-component-Dirac Hartree-Fock or density functional theory values. SOC corrections for the electrical properties are in general small, but become relevant for the accurate prediction of these properties when the molecules in question contain sixth and/or seventh period elements (e.g., the SO effect for At2 is about 10% of the 2c-NESC polarizability). The 2c-NESC changes in the electric molecular properties are rationalized in terms of spin-orbit splitting and SOC-induced mixing of frontier orbitals with the same j = l + s quantum numbers.

  17. The Role of the Two-Component System BaeSR in Disposing Chemicals through Regulating Transporter Systems in Acinetobacter baumannii.

    Directory of Open Access Journals (Sweden)

    Ming-Feng Lin

    Full Text Available Bacterial two-component regulatory systems (TCSs facilitate changes in gene expression in response to environmental stimuli. TCS BaeR regulons influence tigecycline susceptibility in Acinetobacter baumannii through positively regulating the pump genes adeA and adeB. In this study, we demonstrate that an additional two transport systems, AdeIJK and MacAB-TolC, are also regulated by BaeSR. In the wild type and clinical tigecycline-resistant A. baumannii strains, gene expression of AdeIJK and MacAB-TolC increased after tigecycline induction, implicating their importance to tigecycline resistance in addition to AdeABC. Phenotypic microarray results showed that A. baumannii is vulnerable to certain chemicals, especially tannic acid, after deleting baeR, which was confirmed using the spot assay. The wild-type strain of A. baumannii also exhibited 1.6-fold and 4.4-fold increase in gene expression of adeJ and macB in the medium with 100 μg/mL tannic acid, but the increase was fully inhibited by baeR deletion. An electrophoretic motility shift assay based on an interaction between His-BaeR and the adeA, adeI and macA promoter regions did not demonstrate direct binding. In conclusion, A. baumannii can use the TCS BaeSR in disposing chemicals, such as tannic acid and tigecycline, through regulating the efflux pumps.

  18. Ground-state and rotational properties of a two-component Bose–Einstein condensate in a harmonic plus quartic trap

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Guang-Ping [Key Laboratory of Time and Frequency Primary Standards, National Time Service Center, Chinese Academy of Sciences, Xi' an 710600 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zhang, Zhi-Yuan [The School of Physics and Mech-tronic Engineering, Sichuan University of Art and Science, DaZhou 635000 (China); Dong, Biao [Key Laboratory of Time and Frequency Primary Standards, National Time Service Center, Chinese Academy of Sciences, Xi' an 710600 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Wang, Lin-Xue [College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070 (China); Zhang, Xiao-Fei, E-mail: xfzhang@ntsc.ac.cn [Key Laboratory of Time and Frequency Primary Standards, National Time Service Center, Chinese Academy of Sciences, Xi' an 710600 (China); Zhang, Shou-Gang, E-mail: szhang@ntsc.ac.cn [Key Laboratory of Time and Frequency Primary Standards, National Time Service Center, Chinese Academy of Sciences, Xi' an 710600 (China)

    2015-10-02

    We consider a two-component Bose–Einstein condensate under extreme elongation in a harmonic plus quartic trap. The ground-state and rotational properties of such a system are numerically studied as a function of intra- and inter-component contact interactions, and of the rotational frequency. For the nonrotational case, we obtain the exact phase diagram showing the ground-state density distributions as contact-interactions varied. For both slowly and ultrarapidly rotational cases, we demonstrate that the vortex configurations depend strongly on the relative strength of the contact interactions, as well as on the rotational frequency. The controllable system may be used to investigate the interplay of interaction and rotation, and to explore more exotic quantum phases. - Highlights: • Quartic trap extends the parameter space to a fast rotating region. • Different ground state density distributions and novel vortex structures are obtained within the full parameter space. • Effects of the contact interactions and rotation are discussed in detail.

  19. The Staphylococcus aureus Two-Component System AgrAC Displays Four Distinct Genomic Arrangements That Delineate Genomic Virulence Factor Signatures

    Directory of Open Access Journals (Sweden)

    Kumari S. Choudhary

    2018-05-01

    Full Text Available Two-component systems (TCSs consist of a histidine kinase and a response regulator. Here, we evaluated the conservation of the AgrAC TCS among 149 completely sequenced Staphylococcus aureus strains. It is composed of four genes: agrBDCA. We found that: (i AgrAC system (agr was found in all but one of the 149 strains, (ii the agr positive strains were further classified into four agr types based on AgrD protein sequences, (iii the four agr types not only specified the chromosomal arrangement of the agr genes but also the sequence divergence of AgrC histidine kinase protein, which confers signal specificity, (iv the sequence divergence was reflected in distinct structural properties especially in the transmembrane region and second extracellular binding domain, and (v there was a strong correlation between the agr type and the virulence genomic profile of the organism. Taken together, these results demonstrate that bioinformatic analysis of the agr locus leads to a classification system that correlates with the presence of virulence factors and protein structural properties.

  20. The Staphylococcus aureus Two-Component System AgrAC Displays Four Distinct Genomic Arrangements That Delineate Genomic Virulence Factor Signatures

    Science.gov (United States)

    Choudhary, Kumari S.; Mih, Nathan; Monk, Jonathan; Kavvas, Erol; Yurkovich, James T.; Sakoulas, George; Palsson, Bernhard O.

    2018-01-01

    Two-component systems (TCSs) consist of a histidine kinase and a response regulator. Here, we evaluated the conservation of the AgrAC TCS among 149 completely sequenced Staphylococcus aureus strains. It is composed of four genes: agrBDCA. We found that: (i) AgrAC system (agr) was found in all but one of the 149 strains, (ii) the agr positive strains were further classified into four agr types based on AgrD protein sequences, (iii) the four agr types not only specified the chromosomal arrangement of the agr genes but also the sequence divergence of AgrC histidine kinase protein, which confers signal specificity, (iv) the sequence divergence was reflected in distinct structural properties especially in the transmembrane region and second extracellular binding domain, and (v) there was a strong correlation between the agr type and the virulence genomic profile of the organism. Taken together, these results demonstrate that bioinformatic analysis of the agr locus leads to a classification system that correlates with the presence of virulence factors and protein structural properties. PMID:29887846

  1. Mutation of the Streptococcus gordonii Thiol-Disulfide Oxidoreductase SdbA Leads to Enhanced Biofilm Formation Mediated by the CiaRH Two-Component Signaling System.

    Directory of Open Access Journals (Sweden)

    Lauren Davey

    Full Text Available Streptococcus gordonii is a commensal inhabitant of human oral biofilms. Previously, we identified an enzyme called SdbA that played an important role in biofilm formation by S. gordonii. SdbA is thiol-disulfide oxidoreductase that catalyzes disulfide bonds in secreted proteins. Surprisingly, inactivation of SdbA results in enhanced biofilm formation. In this study we investigated the basis for biofilm formation by the ΔsdbA mutant. The results revealed that biofilm formation was mediated by the interaction between the CiaRH and ComDE two-component signalling systems. Although it did not affect biofilm formation by the S. gordonii parent strain, CiaRH was upregulated in the ΔsdbA mutant and it was essential for the enhanced biofilm phenotype. The biofilm phenotype was reversed by inactivation of CiaRH or by the addition of competence stimulating peptide, the production of which is blocked by CiaRH activity. Competition assays showed that the enhanced biofilm phenotype also corresponded to increased oral colonization in mice. Thus, the interaction between SdbA, CiaRH and ComDE affects biofilm formation both in vitro and in vivo.

  2. A GENERALIZED TWO-COMPONENT MODEL OF SOLAR WIND TURBULENCE AND AB INITIO DIFFUSION MEAN-FREE PATHS AND DRIFT LENGTHSCALES OF COSMIC RAYS

    Energy Technology Data Exchange (ETDEWEB)

    Wiengarten, T.; Fichtner, H.; Kleimann, J.; Scherer, K. [Institut für Theoretische Physik IV, Ruhr-Universität Bochum (Germany); Oughton, S. [Department of Mathematics, University of Waikato, Hamilton 3240 (New Zealand); Engelbrecht, N. E. [Center for Space Research, North-West University, Potchefstroom 2520 (South Africa)

    2016-12-10

    We extend a two-component model for the evolution of fluctuations in the solar wind plasma so that it is fully three-dimensional (3D) and also coupled self-consistently to the large-scale magnetohydrodynamic equations describing the background solar wind. The two classes of fluctuations considered are a high-frequency parallel-propagating wave-like piece and a low-frequency quasi-two-dimensional component. For both components, the nonlinear dynamics is dominanted by quasi-perpendicular spectral cascades of energy. Driving of the fluctuations by, for example, velocity shear and pickup ions is included. Numerical solutions to the new model are obtained using the Cronos framework, and validated against previous simpler models. Comparing results from the new model with spacecraft measurements, we find improved agreement relative to earlier models that employ prescribed background solar wind fields. Finally, the new results for the wave-like and quasi-two-dimensional fluctuations are used to calculate ab initio diffusion mean-free paths and drift lengthscales for the transport of cosmic rays in the turbulent solar wind.

  3. The Acinetobacter baumannii Two-Component System AdeRS Regulates Genes Required for Multidrug Efflux, Biofilm Formation, and Virulence in a Strain-Specific Manner

    Directory of Open Access Journals (Sweden)

    Grace E. Richmond

    2016-04-01

    Full Text Available The opportunistic pathogen Acinetobacter baumannii is able to persist in the environment and is often multidrug resistant (MDR, causing difficulties in the treatment of infections. Here, we show that the two-component system AdeRS, which regulates the production of the AdeABC multidrug resistance efflux pump, is required for the formation of a protective biofilm in an ex vivo porcine mucosal model, which mimics a natural infection of the human epithelium. Interestingly, deletion of adeB impacted only on the ability of strain AYE to form a biofilm on plastic and only on the virulence of strain Singapore 1 for Galleria mellonella. RNA-Seq revealed that loss of AdeRS or AdeB significantly altered the transcriptional landscape, resulting in the changed expression of many genes, notably those associated with antimicrobial resistance and virulence interactions. For example, A. baumannii lacking AdeRS displayed decreased expression of adeABC, pil genes, com genes, and a pgaC-like gene, whereas loss of AdeB resulted in increased expression of pil and com genes and decreased expression of ferric acinetobactin transport system genes. These data define the scope of AdeRS-mediated regulation, show that changes in the production of AdeABC mediate important phenotypes controlled by AdeRS, and suggest that AdeABC is a viable target for antimicrobial drug and antibiofilm discovery.

  4. A two-component regulatory system, pehR-pehS, controls endopolygalacturonase production and virulence in the plant pathogen Erwinia carotovora subsp. carotovora.

    Science.gov (United States)

    Flego, D; Marits, R; Eriksson, A R; Kõiv, V; Karlsson, M B; Heikinheimo, R; Palva, E T

    2000-04-01

    Genes coding for the main virulence determinants of the plant pathogen Erwinia carotovora subsp. carotovora, the plant cell wall-degrading enzymes, are under the coordinate control of global regulator systems including both positive and negative factors. In addition to this global control, some virulence determinants are subject to specific regulation. We have previously shown that mutations in the pehR locus result in reduced virulence and impaired production of one of these enzymes, an endopolygalacturonase (PehA). In contrast, these pehR strains produce essentially wild-type levels of other extracellular enzymes including pectate lyases and cellulases. In this work, we characterized the pehR locus and showed that the DNA sequence is composed of two genes, designated pehR and pehS, present in an operon. Mutations in either pehR or pehS caused a Peh-negative phenotype and resulted in reduced virulence on tobacco seedlings. Complementation experiments indicated that both genes are required for transcriptional activation of the endopolygalacturonase gene, pehA, as well as restoration of virulence. Structural characterization of the pehR-pehS operon demonstrated that the corresponding polypeptides are highly similar to the two-component transcriptional regulators PhoP-PhoQ of both Escherichia coli and Salmonella typhimurium. Functional similarity of PehR-PehS with PhoP-PhoQ of E. coli and S. typhimurium was demonstrated by genetic complementation.

  5. Two-component spin-coated Ag/CNT composite films based on a silver heterogeneous nucleation mechanism adhesion-enhanced by mechanical interlocking and chemical grafting

    Science.gov (United States)

    Zhang, Yang; Kang, Zhixin; Bessho, Takeshi

    2017-03-01

    In this paper, a new method for the synthesis of silver carbon nanotube (Ag/CNT) composite films as conductive connection units for flexible electronic devices is presented. This method is about a two-component solution process by spin coating with an after-treatment annealing process. In this method, multi-walled carbon nanotubes (MWCNTs) act as the core of silver heterogeneous nucleation, which can be observed and analyzed by a field-emission scanning electron microscope. With the effects of mechanical interlocking, chemical grafting, and annealing, the interfacial adhesive strength between films and PET sheets was enhanced to 12 N cm-1. The tensile strength of the Ag/CNT composite films was observed to increase by 38% by adding 5 g l-1 MWCNTs. In the four-probe method, the resistivity of Ag/CNT-5 declined by 78.2% compared with pristine Ag films. The anti-fatigue performance of the Ag/CNT composite films was monitored by cyclic bending deformation and the results revealed that the growth rate of electrical resistance during the deformation was obviously retarded. As for industrial application, this method provides an efficient low-cost way to prepare Ag/CNT composite films and can be further applied to other coating systems.

  6. Regulation of Inducible Potassium Transporter KdpFABC by the KdpD/KdpE Two-Component System in Mycobacterium smegmatis

    Directory of Open Access Journals (Sweden)

    Jin He

    2017-04-01

    Full Text Available Kdp-ATPase is an inducible high affinity potassium uptake system that is widely distributed in bacteria, and is generally regulated by the KdpD/KdpE two-component system (TCS. In this study, conducted on Mycobacterium smegmatis, the kdpFABC (encoding Kdp-ATPase expression was found to be affected by low concentration of K+, high concentrations of Na+, and/or NH4+ of the medium. The KdpE was found to be a transcriptional regulator that bound to a specific 22-bp sequence in the promoter region of kdpFABC operon to positively regulate kdpFABC expression. The KdpE binding motif was highly conserved in the promoters of kdpFABC among the mycobacterial species. 5′-RACE data indicated a transcriptional start site (TSS of the kdpFABC operon within the coding sequence of MSMEG_5391, which comprised a 120-bp long 5′-UTR and an open reading frame of the 87-bp kdpF gene. The kdpE deletion resulted in altered growth rate under normal and low K+ conditions. Furthermore, under K+ limiting conditions, a single transcript (kdpFABCDE spanning kdpFABC and kdpDE operons was observed. This study provided the first insight into the regulation of kdpFABC operon by the KdpD/KdpE TCS in M. smegmatis.

  7. Orthogonality Catastrophe as a prerequisite for the irreversible decay of the global relative phase of a two-component Bose-Einstein condensate

    Science.gov (United States)

    Birman, Joseph L.; Kuklov, A. B.

    2001-05-01

    The concept of the orthogonality catastrophe (OC), which has been introduced previously for one component condensate ( A.B. Kuklov, J.L. Birman, PRA 63), 013609 (2001), is applied to the two-component condensate. The evolution of the global relative phase, which is created by the rf-pulse, is studied under the condition of no exchange of bosons between the components after the pulse. It is shown that the normal component does not induce the OC. Instead, it produces a reversible thermal dephasing, which competes with the quantum phase diffusion (QPD) effect (E.M.Wright, et al, PRL 77), 2158(1996). The thermal dephasing results from the thermal ensemble averaging, and the corresponding dephasing rate is controlled by the two-body interaction and temperature as well as by the closeness to the intrinsic su(2) symmetry, so that no dephasing exists in the case of the exact symmetry (A.B. Kuklov, J.L. Birman, PRL 85), 5488 (2000). The reversible nature of the thermal dephasing as well as of the QPD can be revealed in the atomic echo effect. The role of external noise in erasing the phase memory is discussed as well.

  8. A TWO-COMPONENT POWER LAW COVERING NEARLY FOUR ORDERS OF MAGNITUDE IN THE POWER SPECTRUM OF SPITZER FAR-INFRARED EMISSION FROM THE LARGE MAGELLANIC CLOUD

    International Nuclear Information System (INIS)

    Block, David L.; Puerari, Ivanio; Elmegreen, Bruce G.; Bournaud, Frederic

    2010-01-01

    Power spectra of Large Magellanic Cloud (LMC) emission at 24, 70, and 160 μm observed with the Spitzer Space Telescope have a two-component power-law structure with a shallow slope of -1.6 at low wavenumber, k, and a steep slope of -2.9 at high k. The break occurs at k -1 ∼ 100-200 pc, which is interpreted as the line-of-sight thickness of the LMC disk. The slopes are slightly steeper for longer wavelengths, suggesting the cooler dust emission is smoother than the hot emission. The power spectrum (PS) covers ∼3.5 orders of magnitude, and the break in the slope is in the middle of this range on a logarithmic scale. Large-scale driving from galactic and extragalactic processes, including disk self-gravity, spiral waves, and bars, presumably causes the low-k structure in what is effectively a two-dimensional geometry. Small-scale driving from stellar processes and shocks causes the high-k structure in a three-dimensional geometry. This transition in dimensionality corresponds to the observed change in PS slope. A companion paper models the observed power law with a self-gravitating hydrodynamics simulation of a galaxy like the LMC.

  9. A GENERALIZED TWO-COMPONENT MODEL OF SOLAR WIND TURBULENCE AND AB INITIO DIFFUSION MEAN-FREE PATHS AND DRIFT LENGTHSCALES OF COSMIC RAYS

    International Nuclear Information System (INIS)

    Wiengarten, T.; Fichtner, H.; Kleimann, J.; Scherer, K.; Oughton, S.; Engelbrecht, N. E.

    2016-01-01

    We extend a two-component model for the evolution of fluctuations in the solar wind plasma so that it is fully three-dimensional (3D) and also coupled self-consistently to the large-scale magnetohydrodynamic equations describing the background solar wind. The two classes of fluctuations considered are a high-frequency parallel-propagating wave-like piece and a low-frequency quasi-two-dimensional component. For both components, the nonlinear dynamics is dominanted by quasi-perpendicular spectral cascades of energy. Driving of the fluctuations by, for example, velocity shear and pickup ions is included. Numerical solutions to the new model are obtained using the Cronos framework, and validated against previous simpler models. Comparing results from the new model with spacecraft measurements, we find improved agreement relative to earlier models that employ prescribed background solar wind fields. Finally, the new results for the wave-like and quasi-two-dimensional fluctuations are used to calculate ab initio diffusion mean-free paths and drift lengthscales for the transport of cosmic rays in the turbulent solar wind.

  10. Ground-state and rotational properties of a two-component Bose–Einstein condensate in a harmonic plus quartic trap

    International Nuclear Information System (INIS)

    Chen, Guang-Ping; Zhang, Zhi-Yuan; Dong, Biao; Wang, Lin-Xue; Zhang, Xiao-Fei; Zhang, Shou-Gang

    2015-01-01

    We consider a two-component Bose–Einstein condensate under extreme elongation in a harmonic plus quartic trap. The ground-state and rotational properties of such a system are numerically studied as a function of intra- and inter-component contact interactions, and of the rotational frequency. For the nonrotational case, we obtain the exact phase diagram showing the ground-state density distributions as contact-interactions varied. For both slowly and ultrarapidly rotational cases, we demonstrate that the vortex configurations depend strongly on the relative strength of the contact interactions, as well as on the rotational frequency. The controllable system may be used to investigate the interplay of interaction and rotation, and to explore more exotic quantum phases. - Highlights: • Quartic trap extends the parameter space to a fast rotating region. • Different ground state density distributions and novel vortex structures are obtained within the full parameter space. • Effects of the contact interactions and rotation are discussed in detail

  11. Survey of studies on the flow and heat transfer of two-component, two-phase flow of liquid metal in magnetic field

    International Nuclear Information System (INIS)

    Kumamaru, Hiroshige

    1980-01-01

    Brief review of the studies on the flow and heat transfer of two-component, two-phase flow of liquid metal in magnetic field is presented. R.J. Thome measured the distribution of void rate, slip ratio and pressure loss for the two-phase flow of NaK-N 2 under vertical magnetic field. The void rate distribution became even and the slip ratio increased with the increasing magnetic field. The experimental results of pressure loss was compared with the calculation by an equation derived from the homogeneous flow model. R.G. Owen et al. made the analytical studies of the MHD friction loss of two phase flow. Michiyoshi et al. made experimental studies on the hydrodynamic local properties of Hg-Ar two-phase flow of slug region in a vertically ascending tube under magnetic field, and Kimi et al. also made studies on the heat transfer of Hg-Ar flow under magnetic field. Saito et al. measured the slip ratio and pressure loss of NaK-N 2 flow. As a whole, it can be said that the average void rate decreases, and its distribution becomes even under magnetic field. The slip ratio increases, and the friction loss factor becomes nearly one. It was hard to make clear the heat transfer characteristics. (Kato, T.)

  12. Two-component dressed-bag model for NN interaction: deuteron structure and phase shifts up to 1 GeV

    International Nuclear Information System (INIS)

    Kukulin, V.I.; Obukhovsky, I.T.; Pomerantsev, V.N.; Faessler, A.

    2002-01-01

    A two-component model is developed for the intermediate-range NN interaction based on a new mechanism with an intermediate symmetric six-quark bag 'dressed' by σ and other fields. To calculate the transition amplitude, the microscopic six-quark shell-model in combination with the 3 P 0 -quark pion production mechanism is used. As a result, an effective energy-dependent NN interaction is constructed. The new quark-meson model for the NN interaction has been demonstrated to result in a new type of NN tensor force at intermediate ranges, which is crucially important for the treatment of tensor mixing at intermediate energies. The suggested model is able to describe NN phase shifts in a broad energy range from low energy up to 1 GeV, and the deuteron structure. The generalization of the model results in new spin-orbit 2N and 3N forces and new meson-exchange currents induced by intermediate dressed bag components, and also in the enhancement of a collective σ-field in nuclei. (author)

  13. Replenishment policy for Entropic Order Quantity (EnOQ model with two component demand and partial back-logging under inflation

    Directory of Open Access Journals (Sweden)

    Bhanupriya Dash

    2017-09-01

    Full Text Available Background: Replenishment policy for entropic order quantity model with two component demand and partial backlogging under inflation is an important subject in the stock management. Methods: In this paper an inventory model for  non-instantaneous  deteriorating items with stock dependant consumption rate and partial back logged in addition the effect of inflection and time value of money on replacement policy with zero lead time consider was developed. Profit maximization model is formulated by considering the effects of partial backlogging under inflation with cash discounts. Further numerical example presented to evaluate the relative performance between the entropic order quantity and EOQ models separately. Numerical example is present to demonstrate the developed model and to illustrate the procedure. Lingo 13.0 version software used to derive optimal order quantity and total cost of inventory. Finally sensitivity analysis of the optimal solution with respect to different parameters of the system carried out. Results and conclusions: The obtained inventory model is very useful in retail business. This model can extend to total backorder.

  14. Modeling L2,3-Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory.

    Science.gov (United States)

    Kasper, Joseph M; Lestrange, Patrick J; Stetina, Torin F; Li, Xiaosong

    2018-04-10

    X-ray absorption spectroscopy is a powerful technique to probe local electronic and nuclear structure. There has been extensive theoretical work modeling K-edge spectra from first principles. However, modeling L-edge spectra directly with density functional theory poses a unique challenge requiring further study. Spin-orbit coupling must be included in the model, and a noncollinear density functional theory is required. Using the real-time exact two-component method, we are able to variationally include one-electron spin-orbit coupling terms when calculating the absorption spectrum. The abilities of different basis sets and density functionals to model spectra for both closed- and open-shell systems are investigated using SiCl 4 and three transition metal complexes, TiCl 4 , CrO 2 Cl 2 , and [FeCl 6 ] 3- . Although we are working in the real-time framework, individual molecular orbital transitions can still be recovered by projecting the density onto the ground state molecular orbital space and separating contributions to the time evolving dipole moment.

  15. Predicting Near Edge X-ray Absorption Spectra with the Spin-Free Exact-Two-Component Hamiltonian and Orthogonality Constrained Density Functional Theory.

    Science.gov (United States)

    Verma, Prakash; Derricotte, Wallace D; Evangelista, Francesco A

    2016-01-12

    Orthogonality constrained density functional theory (OCDFT) provides near-edge X-ray absorption (NEXAS) spectra of first-row elements within one electronvolt from experimental values. However, with increasing atomic number, scalar relativistic effects become the dominant source of error in a nonrelativistic OCDFT treatment of core-valence excitations. In this work we report a novel implementation of the spin-free exact-two-component (X2C) one-electron treatment of scalar relativistic effects and its combination with a recently developed OCDFT approach to compute a manifold of core-valence excited states. The inclusion of scalar relativistic effects in OCDFT reduces the mean absolute error of second-row elements core-valence excitations from 10.3 to 2.3 eV. For all the excitations considered, the results from X2C calculations are also found to be in excellent agreement with those from low-order spin-free Douglas-Kroll-Hess relativistic Hamiltonians. The X2C-OCDFT NEXAS spectra of three organotitanium complexes (TiCl4, TiCpCl3, TiCp2Cl2) are in very good agreement with unshifted experimental results and show a maximum absolute error of 5-6 eV. In addition, a decomposition of the total transition dipole moment into partial atomic contributions is proposed and applied to analyze the nature of the Ti pre-edge transitions in the three organotitanium complexes.

  16. The weathervane model, a functional and structural organization of the two-component alkanesulfonate oxidoreductase SsuD from Xanthomonas citri

    International Nuclear Information System (INIS)

    Pegos, V.R.; Oliveira, P.S.L.; Balan, A.

    2012-01-01

    Full text: In Xanthomonas citri, the phytopathogen responsible for the canker citrus disease, we identified in the ssuABCDE operon, genes encoding the alkanesulfonate ABC transporter as well as the two enzymes responsible for oxido reduction of the respective substrates. SsuD and SsuE proteins represent a two-component system that can be assigned to the group of FMNH 2 -dependent monooxygenases. How- ever, despite of the biochemical information about SsuD and SsuE orthologs from Escherichia coli, there is no structural information of how the two proteins work together. In this work, we used ultracentrifugation, SAXS data and molecular modeling to construct a structural/functional model, which consists of eight molecules organized in a weathervane shape. Through this model, SsuD ligand-binding site for NADPH 2 and FMN substrates is clearly exposed, in a way that might allow the protein-protein interactions with SsuE. Moreover, based on molecular dynamics simulations of SsuD in apo state, docked with NADPH 2 , FMN or both substrates, we characterized the residues of the pocket, the mechanism of substrate interaction and transfer of electrons from NADPH 2 to FMN. This is the first report that links functional and biochemical data with structural analyses. (author)

  17. Calculations of electric dipole moments and static dipole polarizabilities based on the two-component normalized elimination of the small component method.

    Science.gov (United States)

    Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

    2016-11-14

    The analytical energy gradient and Hessian of the two-component Normalized Elimination of the Small Component (2c-NESC) method with regard to the components of the electric field are derived and used to calculate spin-orbit coupling (SOC) corrected dipole moments and dipole polarizabilities of molecules, which contain elements with high atomic number. Calculated 2c-NESC dipole moments and isotropic polarizabilities agree well with the corresponding four-component-Dirac Hartree-Fock or density functional theory values. SOC corrections for the electrical properties are in general small, but become relevant for the accurate prediction of these properties when the molecules in question contain sixth and/or seventh period elements (e.g., the SO effect for At 2 is about 10% of the 2c-NESC polarizability). The 2c-NESC changes in the electric molecular properties are rationalized in terms of spin-orbit splitting and SOC-induced mixing of frontier orbitals with the same j = l + s quantum numbers.

  18. SEDIMENT-ASSOCIATED REACTIONS OF AROMATIC AMINES. 2. QSAR DEVELOPMENT

    Science.gov (United States)

    The fate of aromatic amines in soils and sediments is dominated by irreversible binding through nucleophilic addition and oxidative radical coupling. Despite the common occurrence of the aromatic amine functional group in organic chemicals, the molecular properties useful for pr...

  19. Fused aromatic thienopyrazines: structure, properties and function

    KAUST Repository

    Mondal, Rajib

    2010-01-01

    Recent development of a fused aromatic thieno[3.4-b]pyrazine system and their application in optoelectronic devices are reviewed. Introduction of a fused aromatic unit followed by side chain engineering, dramatically enhanced the charge carrier mobility in thin film transistor devices and mobilities up to 0.2 cm2/Vs were achieved. The optoelectronic properties of these fused aromatic thienopyrazine polymers (Eg = 1.3 to 1.6 eV, HOMO = -4.9 to -5.2 V) were tuned by introduction of various fused aromatic rings within thienopyrazine. By balancing the fundamental properties of these polymers, both high charge carrier mobilities and moderate PCEs in solar cells were achieved. Further, effects of copolymerizing units are discussed. Low band gap semiconducting polymer (Eg ∼ 1 eV) with high field effect mobility (0.044 cm2/Vs) was obtained using cyclopentadithiophene as copolymerizing unit. Finally, a molecular design approach to enhance the absorption coefficients is discussed, which resulted in improved power conversion efficiency in bulk heterojunction solar cells. © 2010 The Royal Society of Chemistry.

  20. Identifying specific interstellar polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Mulas, Giacomo; Malloci, Giuliano; Porceddu, Ignazio

    2005-01-01

    Interstellar Polycyclic Aromatic Hydrocarbons (PAHs) have been thought to be ubiquitous for more than twenty years, yet no single species in this class has been identified in the Interstellar Medium (ISM) to date. The unprecedented sensitivity and resolution of present Infrared Space Observatory (ISO) and forthcoming Herschel observations in the far infrared spectral range will offer a unique way out of this embarrassing impasse

  1. Toxic Potential of Carcinogenic Polycyclic Aromatic Hydrocarbons ...

    African Journals Online (AJOL)

    Toxic Potential of Carcinogenic Polycyclic Aromatic Hydrocarbons (cPAHs) and Heavy Metal in Crude Oil from Gokana Area, Rivers State, Nigeria. ... Considerable caution should be applied in exploration, exposure and distribution of the crude oil through protected and well maintained pipelines to avoid the possible ...

  2. Remediation of soil contaminated with polycyclic aromatic ...

    African Journals Online (AJOL)

    user

    2011-02-14

    Feb 14, 2011 ... The aim of this study was to determine ways of remediating soils contaminated with polycyclic aromatic hydrocarbons (PAHs) associated with crude oil. The study involves the use of planted cowpeas, mushrooms, algae, dead vegetable and live earthworm, and fire-heating of the contaminated garden soil ...

  3. Polycyclic Aromatic Hydrocarbons (PAHs) Levels in Two ...

    African Journals Online (AJOL)

    Polycyclic aromatic hydrocarbons (PAHs) concentrations were measured by gas chromatography with flame ionization detector (GC/FID) in two fish species, Sardinella maderensis (Flat sardinella) and Galeoides decadactylus (Lesser African threadfin or Shine-nose or Common threadfin) from Ghanaian coastal waters and ...

  4. Bioremediation of Polycyclic Aromatic Hydrocarbon contaminated ...

    African Journals Online (AJOL)

    This study investigates the effect of lead and chromium on the rate of bioremediation of polycyclic aromatic hydrocarbon (PAH) contaminated clay soil. Naphthalene was used as a target PAH. The soil was sterilized by heating at 120oC for one hour. 100g of the soil was contaminated with lead, chromium, nickel and mercury ...

  5. Discovering Chemical Aromaticity Using Fragrant Plants

    Science.gov (United States)

    Schneider, Tanya L.

    2010-01-01

    Introductory organic chemistry is often perceived as inaccessible by students. This article describes a method used to link organic chemistry to everyday experience, asking students to explore whether fragrant molecules are also aromatic in the chemical sense. Students were engaged in this activity, excited about their results, and performed well…

  6. Determination of carcinogenic polycyclic aromatic hydrocarbons in ...

    African Journals Online (AJOL)

    Determination of carcinogenic polycyclic aromatic hydrocarbons in air samples in Irbid, north Jordan. A Al-Gawadreh Sat, M.B. Gasim, A.R. Hassan, A Azid. Abstract. Air samples were collected at an urban site and a rural (BERQESH) site during February (2017) until March (2017) to determine concentrations of polycyclic ...

  7. Deuteration of benzen derivatives and condensed aromatics

    International Nuclear Information System (INIS)

    Ichikawa, Masaru.

    1970-01-01

    A process for the deuteration of aromatic compounds (benzene derivatives having one or more cyano, halogeno, nitro or other electron attractive groups, and condensed ring aromatics) is provided. The process comprises reducing said aromatic compound with an alkali metal (preferably K, Rb or Cs) in a solvent (dimethoxyethane, tetrahydrofuran, etc.) to provide an electron-acceptor-donor complex, which is followed by introducing gaseous deuterium into the solution. The deuteration takes place selectively at the position of highest electron density in accordance with nature of the substituent, regardless of steric hindrance. The process is applicable to a wide variety of aromatics to give deuterated compounds in high yields. In one example, 5x10 -3 mole of anthracene (An) was reacted with 2g of metallic potassium in 80cc of dimethoxyethane in a N 2 atmosphere. Into the resulting solution of An=2K + was introduced D 2 gas (30 cmHg) at 25 0 C. After decomposition with air and washing with alcohol, the precipitate was recrystallized from benzene. Yield of recovered AN: more than 90%. Yield of deuteration: 100%. Position of deuteration: 9 and 10 (revealed by NMR and mass spectroscopy). (Kaichi, S.)

  8. Determination of carcinogenic polycyclic aromatic hydrocarbons ...

    African Journals Online (AJOL)

    Log in or Register to get access to full text downloads. ... collected from the most polluted part of Bangsai river at Saver industrial zone was analyzed for the presence of polycyclic aromatic hydrocarbon, anthracene, by gas chromatography-mass spectrometry (GC-MS). A ... EMAIL FREE FULL TEXT EMAIL FREE FULL TEXT

  9. Aromatization of propane over MFI-gallosilicates

    NARCIS (Netherlands)

    Bayense, C.R.; vd Pol, A.J.H.P.; Hooff, van J.H.C.

    1991-01-01

    The results of propane aromatization over gallium containing HZSM-5 zeolites are described. Highly dispersed gallium in the zeolite (framework or extra-framework) was found to possess dehydrogenation activity, especially in the presence of strong Brønsted acid sites. The extra-framework gallium was

  10. Microbial platform for production of aromatic compounds

    DEFF Research Database (Denmark)

    Skovbjerg, Christine Alexandra Egaa; Olsen, Kresten Jon Kromphardt; Larsen, Thomas Ostenfeld

    2017-01-01

    Polyketides form the basic building blocks of numerous natural products, which are in use in pharmaceuticals, food additives and other fine chemicals. Many of these polyketides possess very specific cyclic and aromatic conformations. The programmable platform we aim to create will be able...

  11. Synthesis and bioelectrochemical behavior of aromatic amines.

    Science.gov (United States)

    Shabbir, Muhammad; Akhter, Zareen; Ahmad, Iqbal; Ahmed, Safeer; Bolte, Michael; McKee, Vickie

    2017-12-01

    Four aromatic amines 1-amino-4-phenoxybenzene (A 1 ), 4-(4-aminophenyloxy) biphenyl (A 2 ), 1-(4-aminophenoxy) naphthalene (A 3 ) and 2-(4-aminophenoxy) naphthalene (A 4 ) were synthesized and characterized by elemental, spectroscopic (FTIR, NMR), mass spectrometric and single crystal X-ray diffraction methods. The compounds crystallized in monoclinic crystal system with space group P2 1 . Intermolecular hydrogen bonds were observed between the amine group and amine/ether acceptors of neighboring molecules. Electrochemical investigations were done using cyclic voltammetry (CV), square wave voltammetry (SWV) and differential pulse voltammetry (DPV). CV studies showed that oxidation of aromatic amines takes place at about 0.9 V (vs. Ag/AgCl) and the electron transfer (ET) process has irreversible nature. After first scan reactive intermediate were generated electrochemically and some other cathodic and anodic peaks also appeared in the succeeding scans. DPV study revealed that ET process is accompanied by one electron. DNA binding study of aromatic amines was performed by CV and UV-visible spectroscopy. These investigations revealed groove binding mode of interaction of aromatic amines with DNA. Copyright © 2017 Elsevier Inc. All rights reserved.

  12. Aromatic cytokinins in micropropagated potato plants

    Czech Academy of Sciences Publication Activity Database

    Baroja, F. E.; Aguirreolea, J.; Martínková, Hana; Hanuš, Jan; Strnad, Miroslav

    2002-01-01

    Roč. 40, č. 3 (2002), s. 217-224 ISSN 0981-9428 R&D Projects: GA MŠk OC 844.10; GA ČR GA301/02/0475 Institutional research plan: CEZ:AV0Z5038910 Keywords : Acclimatization * Aromatic cytokinins * Micropropagation Subject RIV: CE - Biochemistry Impact factor: 1.582, year: 2002

  13. 40 CFR 721.5762 - Aromatic aldehyde phenolic resin (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Aromatic aldehyde phenolic resin... Specific Chemical Substances § 721.5762 Aromatic aldehyde phenolic resin (generic). (a) Chemical substance... aromatic aldehyde phenolic resin (PMN P-01-573) is subject to reporting under this section for the...

  14. The Conserved Actinobacterial Two-Component System MtrAB Coordinates Chloramphenicol Production with Sporulation in Streptomyces venezuelae NRRL B-65442

    Directory of Open Access Journals (Sweden)

    Nicolle F. Som

    2017-06-01

    Full Text Available Streptomyces bacteria make numerous secondary metabolites, including half of all known antibiotics. Production of antibiotics is usually coordinated with the onset of sporulation but the cross regulation of these processes is not fully understood. This is important because most Streptomyces antibiotics are produced at low levels or not at all under laboratory conditions and this makes large scale production of these compounds very challenging. Here, we characterize the highly conserved actinobacterial two-component system MtrAB in the model organism Streptomyces venezuelae and provide evidence that it coordinates production of the antibiotic chloramphenicol with sporulation. MtrAB are known to coordinate DNA replication and cell division in Mycobacterium tuberculosis where TB-MtrA is essential for viability but MtrB is dispensable. We deleted mtrB in S. venezuelae and this resulted in a global shift in the metabolome, including constitutive, higher-level production of chloramphenicol. We found that chloramphenicol is detectable in the wild-type strain, but only at very low levels and only after it has sporulated. ChIP-seq showed that MtrA binds upstream of DNA replication and cell division genes and genes required for chloramphenicol production. dnaA, dnaN, oriC, and wblE (whiB1 are DNA binding targets for MtrA in both M. tuberculosis and S. venezuelae. Intriguingly, over-expression of TB-MtrA and gain of function TB- and Sv-MtrA proteins in S. venezuelae also switched on higher-level production of chloramphenicol. Given the conservation of MtrAB, these constructs might be useful tools for manipulating antibiotic production in other filamentous actinomycetes.

  15. Investigation of the nanoscale two-component ZnS-ZnO heterostructures by means of HR-TEM and X-ray based analysis

    Science.gov (United States)

    Pankin, I. A.; Polozhentsev, O. E.; Soldatov, M. A.; Bugaev, A. L.; Tsaturyan, A.; Lomachenko, K. A.; Guda, A. A.; Budnyk, A. P.; Lamberti, C.; Soldatov, A. V.

    2018-06-01

    This article is devoted to the spectroscopic characterization of ZnS-ZnO nanoscale heterostructures synthesized by the microwave-assisted solvothermal method. The synthesized samples were investigated by means of X-ray powder diffraction (XRPD), high energy resolution fluorescence detected X-ray absorption near-edge-structure (HERFD-XANES) spectroscopy, valence-to-core X-ray emission spectroscopy (VtC-XES) and high resolution transmission electron microscopy (HR-TEM) as well as energy dispersive X-ray spectroscopy (EDX). The average crystallite size estimated by the broadening of XRPD peaks increases from 2.7 nm to 3.7 nm in the temperature range from 100 °C to 150 °C. HR-TEM images show that nanoparticles are arranged in aggregates with the 60-200 nm size. Theoretical estimation shows that the systems synthesized at higher temperatures more prone to the agglomeration. The full profile Reitveld analysis of XRPD data reveals the formation of hexagonal zinc sulfide structure, whereas electron diffraction data reveal also the formation of cubic zinc sulfide and claim the polymorphous character of the system. High energy resolution Zn K-edge XANES data unambiguously demonstrate the presence of a certain amount of the zinc oxide which is likely to have an amorphous structure and could not be detected by XRPD. Qualitative analysis of XANES data allows deriving ZnS/ZnO ratio as a function of synthesis temperature. EDX analysis depicts homogeneous distribution of ZnS and amorphous ZnO phases across the conglomerates. A complementary element-selective valence to core X-ray emission spectroscopy evidences formation of two-component system and confirms estimations of ZnS/ZnO fractions obtained by linear combination fit of XANES data.

  16. On the characterization of dynamic supramolecular systems: a general mathematical association model for linear supramolecular copolymers and application on a complex two-component hydrogen-bonding system.

    Science.gov (United States)

    Odille, Fabrice G J; Jónsson, Stefán; Stjernqvist, Susann; Rydén, Tobias; Wärnmark, Kenneth

    2007-01-01

    A general mathematical model for the characterization of the dynamic (kinetically labile) association of supramolecular assemblies in solution is presented. It is an extension of the equal K (EK) model by the stringent use of linear algebra to allow for the simultaneous presence of an unlimited number of different units in the resulting assemblies. It allows for the analysis of highly complex dynamic equilibrium systems in solution, including both supramolecular homo- and copolymers without the recourse to extensive approximations, in a field in which other analytical methods are difficult. The derived mathematical methodology makes it possible to analyze dynamic systems such as supramolecular copolymers regarding for instance the degree of polymerization, the distribution of a given monomer in different copolymers as well as its position in an aggregate. It is to date the only general means to characterize weak supramolecular systems. The model was fitted to NMR dilution titration data by using the program Matlab, and a detailed algorithm for the optimization of the different parameters has been developed. The methodology is applied to a case study, a hydrogen-bonded supramolecular system, salen 4+porphyrin 5. The system is formally a two-component system but in reality a three-component system. This results in a complex dynamic system in which all monomers are associated to each other by hydrogen bonding with different association constants, resulting in homo- and copolymers 4n5m as well as cyclic structures 6 and 7, in addition to free 4 and 5. The system was analyzed by extensive NMR dilution titrations at variable temperatures. All chemical shifts observed at different temperatures were used in the fitting to obtain the DeltaH degrees and DeltaS degrees values producing the best global fit. From the derived general mathematical expressions, system 4+5 could be characterized with respect to above-mentioned parameters.

  17. Systems level analysis of two-component signal transduction systems in Erwinia amylovora: Role in virulence, regulation of amylovoran biosynthesis and swarming motility

    Directory of Open Access Journals (Sweden)

    Sundin George W

    2009-05-01

    Full Text Available Abstract Background Two-component signal transduction systems (TCSTs, consisting of a histidine kinase (HK and a response regulator (RR, represent a major paradigm for signal transduction in prokaryotes. TCSTs play critical roles in sensing and responding to environmental conditions, and in bacterial pathogenesis. Most TCSTs in Erwinia amylovora have either not been identified or have not yet been studied. Results We used a systems approach to identify TCST and related signal transduction genes in the genome of E. amylovora. Comparative genomic analysis of TCSTs indicated that E. amylovora TCSTs were closely related to those of Erwinia tasmaniensis, a saprophytic enterobacterium isolated from apple flowers, and to other enterobacteria. Forty-six TCST genes in E. amylovora including 17 sensor kinases, three hybrid kinases, 20 DNA- or ligand-binding RRs, four RRs with enzymatic output domain (EAL-GGDEF proteins, and two kinases were characterized in this study. A systematic TCST gene-knockout experiment was conducted, generating a total of 59 single-, double-, and triple-mutants. Virulence assays revealed that five of these mutants were non-pathogenic on immature pear fruits. Results from phenotypic characterization and gene expression experiments indicated that several groups of TCST systems in E. amylovora control amylovoran biosynthesis, one of two major virulence factors in E. amylovora. Both negative and positive regulators of amylovoran biosynthesis were identified, indicating a complex network may control this important feature of pathogenesis. Positive (non-motile, EnvZ/OmpR, negative (hypermotile, GrrS/GrrA, and intermediate regulators for swarming motility in E. amylovora were also identified. Conclusion Our results demonstrated that TCSTs in E. amylovora played major roles in virulence on immature pear fruit and in regulating amylovoran biosynthesis and swarming motility. This suggested presence of regulatory networks governing

  18. A conserved two-component regulatory system, PidS/PidR, globally regulates pigmentation and virulence-related phenotypes of Burkholderia glumae.

    Science.gov (United States)

    Karki, Hari Sharan; Barphagha, Inderjit Kaur; Ham, Jong Hyun

    2012-09-01

    Burkholderia glumae is a rice pathogenic bacterium that causes bacterial panicle blight. Some strains of this pathogen produce dark brown pigments when grown on casamino-acid peptone glucose (CPG) agar medium. A pigment-positive and highly virulent strain of B. glumae, 411gr-6, was randomly mutagenized with mini-Tn5gus, and the resulting mini-Tn5gus derivatives showing altered pigmentation phenotypes were screened on CPG agar plates to identify the genetic elements governing the pigmentation of B. glumae. In this study, a novel two-component regulatory system (TCRS) composed of the PidS sensor histidine kinase and the PidR response regulator was identified as an essential regulatory factor for pigmentation. Notably, the PidS/PidR TCRS was also required for the elicitation of the hypersensitive response on tobacco leaves, indicating the dependence of the hypersensitive response and pathogenicity (Hrp) type III secretion system of B. glumae on this regulatory factor. In addition, B. glumae mutants defective in the PidS/PidR TCRS showed less production of the phytotoxin, toxoflavin, and less virulence on rice panicles and onion bulbs relative to the parental strain, 411gr-6. The presence of highly homologous PidS and PidR orthologues in other Burkholderia species suggests that PidS/PidR-family TCRSs may exert the same or similar functions in different Burkholderia species, including both plant and animal pathogens. © 2012 THE AUTHORS. MOLECULAR PLANT PATHOLOGY © 2012 BSPP AND BLACKWELL PUBLISHING LTD.

  19. A proteomic analysis of the regulon of the NarP two-component regulatory system response regulator in the bovine pathogen Mannheimia haemolytica A1

    Directory of Open Access Journals (Sweden)

    Inamoto Ichiro

    2011-11-01

    Full Text Available Abstract Background The response of the NarQP two-component signal transduction system regulon in response to the presence of nitrate for the bovine pathogen Mannheimia haemolytica A1 was investigated by proteomic analysis. Total proteins from a narP mutant and the parent SH1217 grown with or without NaNO3 supplement were examined by ISO-DALT 2D electrophoresis and liquid chromatography-mass spectrometry. Results Seventeen proteins were differentially expressed in the parent strain SH1217 in response to the addition of NaNO3 to the growth media. These responses were absent in the narP mutant, indicating that the altered production of these proteins is mediated by NarPMh. Interestingly, NarPMh mediated the increased production of some proteins which are not generally associated with nitrate respiration, such as the iron transporters FbpA and YfeA. The increased production of proteins such as superoxide dismutase, SodA, and GAPDH were also observed. The increased production of these iron-regulated proteins by NarPMh is thought to enhance the swift establishment of the nitrate respiration mechanism of M. haemolytica during pathogenesis. Conclusion The data suggested NarPMh acts as an important regulator which regulates the expression of a small set of proteins in response to nitrate availability. This may contribute to the prevalence of M. haemolytica A1 in its host during pathogenesis of BPP, through enhancing the effectiveness of nitrate respiration either directly or indirectly.

  20. Gene expression analysis of two extensively drug-resistant tuberculosis isolates show that two-component response systems enhance drug resistance.

    Science.gov (United States)

    Yu, Guohua; Cui, Zhenling; Sun, Xian; Peng, Jinfu; Jiang, Jun; Wu, Wei; Huang, Wenhua; Chu, Kaili; Zhang, Lu; Ge, Baoxue; Li, Yao

    2015-05-01

    Global analysis of expression profiles using DNA microarrays was performed between a reference strain H37Rv and two clinical extensively drug-resistant isolates in response to three anti-tuberculosis drug exposures (isoniazid, capreomycin, and rifampicin). A deep analysis was then conducted using a combination of genome sequences of the resistant isolates, resistance information, and related public microarray data. Certain known resistance-associated gene sets were significantly overrepresented in upregulated genes in the resistant isolates relative to that observed in H37Rv, which suggested a link between resistance and expression levels of particular genes. In addition, isoniazid and capreomycin response genes, but not rifampicin, either obtained from published works or our data, were highly consistent with the differentially expressed genes of resistant isolates compared to those of H37Rv, indicating a strong association between drug resistance of the isolates and genes differentially regulated by isoniazid and capreomycin exposures. Based on these results, 92 genes of the studied isolates were identified as candidate resistance genes, 10 of which are known resistance-related genes. Regulatory network analysis of candidate resistance genes using published networks and literature mining showed that three two-component regulatory systems and regulator CRP play significant roles in the resistance of the isolates by mediating the production of essential envelope components. Finally, drug sensitivity testing indicated strong correlations between expression levels of these regulatory genes and sensitivity to multiple anti-tuberculosis drugs in Mycobacterium tuberculosis. These findings may provide novel insights into the mechanism underlying the emergence and development of drug resistance in resistant tuberculosis isolates and useful clues for further studies on this issue. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. Regulation of natural competence by the orphan two-component system sensor kinase ChiS involves a non-canonical transmembrane regulator in Vibrio cholerae.

    Science.gov (United States)

    Yamamoto, Shouji; Mitobe, Jiro; Ishikawa, Takahiko; Wai, Sun Nyunt; Ohnishi, Makoto; Watanabe, Haruo; Izumiya, Hidemasa

    2014-01-01

    In Vibrio cholerae, 41 chitin-inducible genes, including the genes involved in natural competence for DNA uptake, are governed by the orphan two-component system (TCS) sensor kinase ChiS. However, the mechanism by which ChiS controls the expression of these genes is currently unknown. Here, we report the involvement of a novel transcription factor termed 'TfoS' in this process. TfoS is a transmembrane protein that contains a large periplasmic domain and a cytoplasmic AraC-type DNA-binding domain, but lacks TCS signature domains. Inactivation of tfoS abolished natural competence as well as transcription of the tfoR gene encoding a chitin-induced small RNA essential for competence gene expression. A TfoS fragment containing the DNA-binding domain specifically bound to and activated transcription from the tfoR promoter. Intracellular TfoS levels were unaffected by disruption of chiS and coexpression of TfoS and ChiS in Escherichia coli recovered transcription of the chromosomally integrated tfoR::lacZ gene, suggesting that TfoS is post-translationally modulated by ChiS during transcriptional activation; however, this regulation persisted when the canonical phosphorelay residues of ChiS were mutated. The results presented here suggest that ChiS operates a chitin-induced non-canonical signal transduction cascade through TfoS, leading to transcriptional activation of tfoR. © 2013 John Wiley & Sons Ltd.

  2. MzrA-EnvZ Interactions in the Periplasm Influence the EnvZ/OmpR Two-Component Regulon▿ †

    Science.gov (United States)

    Gerken, Henri; Misra, Rajeev

    2010-01-01

    MzrA was identified as a modulator of the EnvZ/OmpR two-component signal transduction system. Previous evidence indicated that MzrA interacts with EnvZ and modulates its enzymatic activities to influence OmpR phosphate (OmpR∼P) levels. Moreover, MzrA was shown to connect the bacterial envelope stress response systems CpxA/CpxR and σE to EnvZ/OmpR to widen the defensive response regulatory network. In this study, experiments were carried out to establish whether the membrane or periplasmic domain of MzrA is critical for MzrA-EnvZ interactions and to reveal MzrA residues that play an important role in these interactions. Data obtained from chimeric constructs, in which the transmembrane domain of MzrA was replaced with the unrelated transmembrane domain of NarX or signal sequence of PhoA, showed that the transmembrane domain residues of MzrA do not play a critical role in MzrA-EnvZ interactions. The importance of the periplasmic domain of MzrA in MzrA-EnvZ interactions was revealed by characterizing bifunctional, fully soluble, and periplasmically localized MalE::MzrA chimeras. This was further corroborated through the isolation of loss-of-function, single-amino-acid substitutions in the conserved periplasmic domain of MzrA that interfered with MzrA-EnvZ binding in a bacterial two-hybrid system. Together, the data suggest that the binding of MzrA to EnvZ influences the ability of EnvZ to receive and/or respond to environmental signals in the periplasm and modulate its biochemical output to OmpR. PMID:20889743

  3. Equation-free analysis of two-component system signalling model reveals the emergence of co-existing phenotypes in the absence of multistationarity.

    Directory of Open Access Journals (Sweden)

    Rebecca B Hoyle

    Full Text Available Phenotypic differences of genetically identical cells under the same environmental conditions have been attributed to the inherent stochasticity of biochemical processes. Various mechanisms have been suggested, including the existence of alternative steady states in regulatory networks that are reached by means of stochastic fluctuations, long transient excursions from a stable state to an unstable excited state, and the switching on and off of a reaction network according to the availability of a constituent chemical species. Here we analyse a detailed stochastic kinetic model of two-component system signalling in bacteria, and show that alternative phenotypes emerge in the absence of these features. We perform a bifurcation analysis of deterministic reaction rate equations derived from the model, and find that they cannot reproduce the whole range of qualitative responses to external signals demonstrated by direct stochastic simulations. In particular, the mixed mode, where stochastic switching and a graded response are seen simultaneously, is absent. However, probabilistic and equation-free analyses of the stochastic model that calculate stationary states for the mean of an ensemble of stochastic trajectories reveal that slow transcription of either response regulator or histidine kinase leads to the coexistence of an approximate basal solution and a graded response that combine to produce the mixed mode, thus establishing its essential stochastic nature. The same techniques also show that stochasticity results in the observation of an all-or-none bistable response over a much wider range of external signals than would be expected on deterministic grounds. Thus we demonstrate the application of numerical equation-free methods to a detailed biochemical reaction network model, and show that it can provide new insight into the role of stochasticity in the emergence of phenotypic diversity.

  4. A survey of HK, HPt, and RR domains and their organization in two-component systems and phosphorelay proteins of organisms with fully sequenced genomes

    Directory of Open Access Journals (Sweden)

    Baldiri Salvado

    2015-08-01

    Full Text Available Two Component Systems and Phosphorelays (TCS/PR are environmental signal transduction cascades in prokaryotes and, less frequently, in eukaryotes. The internal domain organization of proteins and the topology of TCS/PR cascades play an important role in shaping the responses of the circuits. It is thus important to maintain updated censuses of TCS/PR proteins in order to identify the various topologies used by nature and enable a systematic study of the dynamics associated with those topologies. To create such a census, we analyzed the proteomes of 7,609 organisms from all domains of life with fully sequenced and annotated genomes. To begin, we survey each proteome searching for proteins containing domains that are associated with internal signal transmission within TCS/PR: Histidine Kinase (HK, Response Regulator (RR and Histidine Phosphotranfer (HPt domains, and analyze how these domains are arranged in the individual proteins. Then, we find all types of operon organization and calculate how much more likely are proteins that contain TCS/PR domains to be coded by neighboring genes than one would expect from the genome background of each organism. Finally, we analyze if the fusion of domains into single TCS/PR proteins is more frequently observed than one might expect from the background of each proteome. We find 50 alternative ways in which the HK, HPt, and RR domains are observed to organize into single proteins. In prokaryotes, TCS/PR coding genes tend to be clustered in operons. 90% of all proteins identified in this study contain just one of the three domains, while 8% of the remaining proteins combine one copy of an HK, a RR, and/or an HPt domain. In eukaryotes, 25% of all TCS/PR proteins have more than one domain. These results might have implications for how signals are internally transmitted within TCS/PR cascades. These implications could explain the selection of the various designs in alternative circumstances.

  5. Antimicrobial Tolerance of Pseudomonas aeruginosa Biofilms Is Activated during an Early Developmental Stage and Requires the Two-Component Hybrid SagS

    Science.gov (United States)

    Gupta, Kajal; Marques, Cláudia N. H.; Petrova, Olga E.

    2013-01-01

    A hallmark characteristic of biofilms is their extraordinary tolerance to antimicrobial agents. While multiple factors are thought to contribute to the high level of antimicrobial tolerance of biofilms, little is known about the timing of induction of biofilm tolerance. Here, we asked when over the course of their development do biofilms gain their tolerance to antimicrobial agents? We demonstrate that in Pseudomonas aeruginosa, biofilm tolerance is linked to biofilm development, with transition to the irreversible attachment stage regulated by the two-component hybrid SagS, marking the timing when biofilms switch to the high-level tolerance phenotype. Inactivation of sagS rendered biofilms but not planktonic cells more susceptible to tobramycin, norfloxacin, and hydrogen peroxide. Moreover, inactivation of sagS also eliminated the recalcitrance of biofilms to killing by bactericidal antimicrobial agents, a phenotype comparable to that observed upon inactivation of brlR, which encodes a MerR-like transcriptional regulator required for biofilm tolerance. Multicopy expression of brlR in a ΔsagS mutant restored biofilm resistance and recalcitrance to killing by bactericidal antibiotics to wild-type levels. In contrast, expression of sagS did not restore the susceptibility phenotype of ΔbrlR mutant biofilms to wild-type levels, indicating that BrlR functions downstream of SagS. Inactivation of sagS correlated with reduced BrlR levels in biofilms, with the produced BrlR being impaired in binding to the previously described BrlR-activated promoters of the two multidrug efflux pump operons mexAB-oprM and mexEF-oprN. Our findings demonstrate that biofilm tolerance is linked to early biofilm development and SagS, with SagS contributing indirectly to BrlR activation. PMID:23995639

  6. X-ray-induced specific-locus mutations in the ad-3 region of two-component heterokaryons of Neurospora crass

    International Nuclear Information System (INIS)

    De Serres, F.J.

    1990-01-01

    More extensive complementation tests than those performed initially on a series of 832 X-ray-induced specific-locus mutations in the adenine-4 (ad-3) region of a two-component heterokaryon (H-12) of Neurospora crassa showed that unexpectedly high frequencies of specific-locus mutations in the ad-3 region have additional, but separate, sites of recessive lethal damage in the immediately adjacent genetic regions. In the present paper, X-ray-induced irreparable ad-3 mutants of the folowing genotypes and numbers (ad-3A ad-3B, ad-3A ad-3B nic-2, and ad-3B nic-2) have also subjected to the same genetic fine structure analysis. These experiments, in the previous and present papers, were designed to determine the extent of the functional inactivation in the ad-3 and immediately adjacent genetic regions in individual mutants classified as presumptive multilocus deletions or multiplelocus mutations. The data in the present paper have shown that in Neurospora crassa most X-ray-induced irreparable mutants of genotype ad-3A ad-3B, ad-3A ad-3B nic-2, and ad-3 nic-2 map as a series of overlapping multilocus deletions. In addition, genetic fine structure analysis has shown that some of the mutants classified, initially, as multilocus deletions, are actually multiple-locus mutations: multilocus deletions with closely linked, and separate, sites of recessive lethal damage with a wide variety of genotyes. Combining data from the present experiments with previously published date, the frequency of multiple-locus mutations among X-ray-induced gene/point mutations and multilocus deletions in the ad-3 region is 6.2%. (author). 27 refs.; 4 figs.; 7 tab

  7. A benchmark study for the crown-type splashing dynamics of one- and two-component droplet wall-film interactions

    Science.gov (United States)

    Geppert, A.; Terzis, A.; Lamanna, G.; Marengo, M.; Weigand, B.

    2017-12-01

    The present paper investigates experimentally the impact dynamics of crown-type splashing for miscible two- and one-component droplet wall-film interactions over a range of Weber numbers and dimensionless film thicknesses. The splashing outcome is parametrised in terms of a set of quantifiable parameters, such as crown height, top and base diameter, wall inclination, number of fingers, and secondary droplet properties. The results show that the outcome of a splashing event is not affected by the choice of similar or dissimilar fluids, provided the dimensionless film thickness is larger than 0.1. Below this threshold, distinctive features of two-component interactions appear, such as hole formation and crown bottom breakdown. The observation of different crown shapes (e.g. V-shaped, cylindrical, and truncated-cone) confirms that vorticity production induces changes in the crown wall inclination, thus affecting the evolution of the crown height and top diameter. The evolution of the crown base diameter, instead, is mainly dependent on the relative importance of liquid inertia and viscous losses in the wall-film. The maximum number of liquid fingers decreases with increasing wall, film thickness, due to the enhanced attenuation of the effect of surface properties on the fingering process. The formation of secondary droplets is also affected by changes in the crown wall inclination. In particular, for truncated-cone shapes the occurrence of crown rim contraction induces a large scatter in the secondary droplet properties. Consequently, empirical models for the maximum number and mean diameter of the secondary droplets are derived for V-shaped crowns, as observed for the hexadecane-Hyspin interactions.

  8. Parsing of the free energy of aromatic-aromatic stacking interactions in solution

    Energy Technology Data Exchange (ETDEWEB)

    Kostjukov, Viktor V.; Khomytova, Nina M. [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine); Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas [Faculty of Chemical Sciences, Autonomous University of Puebla, Puebla (Mexico); Evstigneev, Maxim P., E-mail: max_evstigneev@mail.ru [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine)

    2011-10-15

    Graphical abstract: Highlights: > A protocol for decomposition of the free energy of aromatic stacking is developed. > The factors stabilizing/destabilizing stacking of aromatic molecules are defined. > Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

  9. Parsing of the free energy of aromatic-aromatic stacking interactions in solution

    International Nuclear Information System (INIS)

    Kostjukov, Viktor V.; Khomytova, Nina M.; Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas; Evstigneev, Maxim P.

    2011-01-01

    Graphical abstract: Highlights: → A protocol for decomposition of the free energy of aromatic stacking is developed. → The factors stabilizing/destabilizing stacking of aromatic molecules are defined. → Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

  10. Cyano-containing ionic liquids for the extraction of aromatic hydrocarbons from an aromatic/aliphatic mixture

    NARCIS (Netherlands)

    Meindersma, G.W.; Haan, de A.B.

    2012-01-01

    Ionic liquids can replace conventional solvents in aromatic/aliphatic extractions, if they have higher aromatic distribution coefficients and higher or similar aromatic/aliphatic selectivities. Also physical properties, such as density and viscosity, must be taken into account if a solvent is

  11. Prenatal exposure to polycyclic aromatic hydrocarbons/aromatics, BDNF and child development

    International Nuclear Information System (INIS)

    Perera, Frederica; Phillips, David H.; Wang, Ya; Roen, Emily; Herbstman, Julie; Rauh, Virginia; Wang, Shuang; Tang, Deliang

    2015-01-01

    Objectives: Within a New York City (NYC) birth cohort, we assessed the associations between polycyclic aromatic hydrocarbon (PAH) and other aromatic DNA adducts and brain derived neurotrophic factor (BDNF) concentrations in umbilical cord blood, and neurodevelopment at age 2 years and whether BDNF is a mediator of the associations between PAH/aromatic-DNA adducts and neurodevelopment. Methods: PAH/aromatic-DNA adduct concentrations in cord blood were measured in 505 children born to nonsmoking African-American and Dominican women residing in NYC, and a subset was assessed for neurodevelopment at 2 years using the Bayley Scales of Infant Development Mental Development Index (MDI). A spectrum of PAH/aromatic-DNA adducts was measured using the 32 P-postlabeling assay; DNA adducts formed by benzo[a]pyrene (B[a]P), a representative PAH, were measured by High Performance Liquid Chromatography (HPLC)/fluorescence. BDNF mature protein in cord blood plasma was quantified by an ELISA. Multivariate regression analysis, adjusting for potential confounders, was conducted. Results: PAH/aromatic-DNA adduct concentration measured by postlabeling was inversely associated with BDNF concentration (p=0.02) and with MDI scores at 2 years (p=0.04). BDNF level was positively associated with MDI scores (p=0.003). Restricting to subjects having all three measures (PAH/aromatic-DNA adducts by postlabeling, MDI, and BDNF), results were similar but attenuated (p=0.13, p=0.05, p=0.01, respectively). Associations between B[a]P-DNA adducts and BDNF and B[a]P-DNA adducts and MDI at age 2 years were not significant. At age 3 years, the positive association of BDNF with MDI was not observed. Conclusions: The results at age 2 suggest that prenatal exposure to a spectrum of PAH/aromatic pollutants may adversely affect early neurodevelopment, in part by reducing BDNF levels during the fetal period. However, the same relationship was not seen at age 3. - Highlights: • Cord blood Polycyclic Aromatic

  12. Prenatal exposure to polycyclic aromatic hydrocarbons/aromatics, BDNF and child development

    Energy Technology Data Exchange (ETDEWEB)

    Perera, Frederica, E-mail: fpp1@columbia.edu [Department of Environmental Health Sciences, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Phillips, David H. [Analytical and Environmental Sciences Division, MRC-PHE Centre for Environment and Health, King' s College London, Franklin-Wilkins Building, London SE1 9NH (United Kingdom); Wang, Ya [Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Department of Biostatistics, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Roen, Emily; Herbstman, Julie [Department of Environmental Health Sciences, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Rauh, Virginia [Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); The Heilbrunn Department of Population and Family Health, Columbia University, 60 Haven Avenue, New York, NY 10032 (United States); Wang, Shuang [Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Department of Biostatistics, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Tang, Deliang [Department of Environmental Health Sciences, Mailman School of Public Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States); Columbia Center for Children' s Environmental Health, Columbia University, 722 W. 168th St., New York, NY 10032 (United States)

    2015-10-15

    Objectives: Within a New York City (NYC) birth cohort, we assessed the associations between polycyclic aromatic hydrocarbon (PAH) and other aromatic DNA adducts and brain derived neurotrophic factor (BDNF) concentrations in umbilical cord blood, and neurodevelopment at age 2 years and whether BDNF is a mediator of the associations between PAH/aromatic-DNA adducts and neurodevelopment. Methods: PAH/aromatic-DNA adduct concentrations in cord blood were measured in 505 children born to nonsmoking African-American and Dominican women residing in NYC, and a subset was assessed for neurodevelopment at 2 years using the Bayley Scales of Infant Development Mental Development Index (MDI). A spectrum of PAH/aromatic-DNA adducts was measured using the {sup 32}P-postlabeling assay; DNA adducts formed by benzo[a]pyrene (B[a]P), a representative PAH, were measured by High Performance Liquid Chromatography (HPLC)/fluorescence. BDNF mature protein in cord blood plasma was quantified by an ELISA. Multivariate regression analysis, adjusting for potential confounders, was conducted. Results: PAH/aromatic-DNA adduct concentration measured by postlabeling was inversely associated with BDNF concentration (p=0.02) and with MDI scores at 2 years (p=0.04). BDNF level was positively associated with MDI scores (p=0.003). Restricting to subjects having all three measures (PAH/aromatic-DNA adducts by postlabeling, MDI, and BDNF), results were similar but attenuated (p=0.13, p=0.05, p=0.01, respectively). Associations between B[a]P-DNA adducts and BDNF and B[a]P-DNA adducts and MDI at age 2 years were not significant. At age 3 years, the positive association of BDNF with MDI was not observed. Conclusions: The results at age 2 suggest that prenatal exposure to a spectrum of PAH/aromatic pollutants may adversely affect early neurodevelopment, in part by reducing BDNF levels during the fetal period. However, the same relationship was not seen at age 3. - Highlights: • Cord blood Polycyclic

  13. Survey of benzene and aromatics in Canadian Gasoline - 1994

    International Nuclear Information System (INIS)

    Tushingham, M.

    1996-01-01

    A comprehensive database of the benzene and aromatics levels of gasoline produced in or imported into Canada during 1994, was presented. Environment Canada conducted a survey that requested refineries and importers to report quarterly on benzene and aromatics levels in gasoline. Benzene, which has been declared toxic by the Canadian Environmental Protection Act, is found in gasoline and is formed during the combustion of the aromatic components of gasoline. It was shown that benzene and aromatics levels differ regionally and seasonally. There are also variations in benzene levels between batches of gasoline produced at any one refinery. This report listed the responses to the benzene/aromatics survey. It also described the analytical procedures used to measure benzene and aromatics levels in gasoline, and provided guidelines for reporting gasoline benzene and total aromatics data. 7 tabs., 21 figs

  14. A quantum mechanical/molecular mechanical study of the hydroxylation of phenol and halogeneted derivatives by phenol hydroxylase

    NARCIS (Netherlands)

    Ridder, L.; Mulholland, A.J.; Rietjens, I.M.C.M.; Vervoort, J.

    2000-01-01

    A combined quantum mechanical and molecular mechanical (QM/MM) method (AM1/CHARMM) was used to investigate the mechanism of the aromatic hydroxylation of phenol by a flavin dependent phenol hydroxylase (PH), an essential reaction in the degradation of a wide range of aromatic compounds. The model

  15. Two Component Decomposition of Dual Polarimetric HH/VV SAR Data: Case Study for the Tundra Environment of the Mackenzie Delta Region, Canada

    Directory of Open Access Journals (Sweden)

    Tobias Ullmann

    2016-12-01

    Full Text Available This study investigates a two component decomposition technique for HH/VV-polarized PolSAR (Polarimetric Synthetic Aperture Radar data. The approach is a straight forward adaption of the Yamaguchi decomposition and decomposes the data into two scattering contributions: surface and double bounce under the assumption of a negligible vegetation scattering component in Tundra environments. The dependencies between the features of this two and the classical three component Yamaguchi decomposition were investigated for Radarsat-2 (quad and TerraSAR-X (HH/VV data for the Mackenzie Delta Region, Canada. In situ data on land cover were used to derive the scattering characteristics and to analyze the correlation among the PolSAR features. The double bounce and surface scattering features of the two and three component scattering model (derived from pseudo-HH/VV- and quad-polarized data showed similar scattering characteristics and positively correlated-R2 values of 0.60 (double bounce and 0.88 (surface scattering were observed. The presence of volume scattering led to differences between the features and these were minimized for land cover classes of low vegetation height that showed little volume scattering contribution. In terms of separability, the quad-polarized Radarsat-2 data offered the best separation of the examined tundra land cover types and will be best suited for the classification. This is anticipated as it represents the largest feature space of all tested ones. However; the classes “wetland” and “bare ground” showed clear positions in the feature spaces of the C- and X-Band HH/VV-polarized data and an accurate classification of these land cover types is promising. Among the possible dual-polarization modes of Radarsat-2 the HH/VV was found to be the favorable mode for the characterization of the aforementioned tundra land cover classes due to the coherent acquisition and the preserved co-pol. phase. Contrary, HH/HV-polarized and VV

  16. The impact of ColRS two-component system and TtgABC efflux pump on phenol tolerance of Pseudomonas putida becomes evident only in growing bacteria

    Directory of Open Access Journals (Sweden)

    Kivisaar Maia

    2010-04-01

    Full Text Available Abstract Background We have recently found that Pseudomonas putida deficient in ColRS two-component system is sensitive to phenol and displays a serious defect on solid glucose medium where subpopulation of bacteria lyses. The latter phenotype is significantly enhanced by the presence of phenol in growth medium. Here, we focused on identification of factors affecting phenol tolerance of the colR-deficient P. putida. Results By using transposon mutagenesis approach we identified a set of phenol-tolerant derivatives of colR-deficient strain. Surprisingly, half of independent phenol tolerant clones possessed miniTn5 insertion in the ttgABC operon. However, though inactivation of TtgABC efflux pump significantly enhanced phenol tolerance, it did not affect phenol-enhanced autolysis of the colR mutant on glucose medium indicating that phenol- and glucose-caused stresses experienced by the colR-deficient P. putida are not coupled. Inactivation of TtgABC pump significantly increased the phenol tolerance of the wild-type P. putida as well. Comparison of phenol tolerance of growing versus starving bacteria revealed that both ColRS and TtgABC systems affect phenol tolerance only under growth conditions and not under starvation. Flow cytometry analysis showed that phenol strongly inhibited cell division and to some extent also caused cell membrane permeabilization to propidium iodide. Single cell analysis of populations of the ttgC- and colRttgC-deficient strains revealed that their membrane permeabilization by phenol resembles that of the wild-type and the colR mutant, respectively. However, cell division of P. putida with inactivated TtgABC pump seemed to be less sensitive to phenol than that of the parental strain. At the same time, cell division appeared to be more inhibited in the colR-mutant strain than in the wild-type P. putida. Conclusions ColRS signal system and TtgABC efflux pump are involved in the phenol tolerance of P. putida. However, as

  17. Modeling the monthly mean soil-water balance with a statistical-dynamical ecohydrology model as coupled to a two-component canopy model

    Directory of Open Access Journals (Sweden)

    J. P. Kochendorfer

    2010-10-01

    Full Text Available The statistical-dynamical annual water balance model of Eagleson (1978 is a pioneering work in the analysis of climate, soil and vegetation interactions. This paper describes several enhancements and modifications to the model that improve its physical realism at the expense of its mathematical elegance and analytical tractability. In particular, the analytical solutions for the root zone fluxes are re-derived using separate potential rates of transpiration and bare-soil evaporation. Those potential rates, along with the rate of evaporation from canopy interception, are calculated using the two-component Shuttleworth-Wallace (1985 canopy model. In addition, the soil column is divided into two layers, with the upper layer representing the dynamic root zone. The resulting ability to account for changes in root-zone water storage allows for implementation at the monthly timescale. This new version of the Eagleson model is coined the Statistical-Dynamical Ecohydrology Model (SDEM. The ability of the SDEM to capture the seasonal dynamics of the local-scale soil-water balance is demonstrated for two grassland sites in the US Great Plains. Sensitivity of the results to variations in peak green leaf area index (LAI suggests that the mean peak green LAI is determined by some minimum in root zone soil moisture during the growing season. That minimum appears to be close to the soil matric potential at which the dominant grass species begins to experience water stress and well above the wilting point, thereby suggesting an ecological optimality hypothesis in which the need to avoid water-stress-induced leaf abscission is balanced by the maximization of carbon assimilation (and associated transpiration. Finally, analysis of the sensitivity of model-determined peak green LAI to soil texture shows that the coupled model is able to reproduce the so-called "inverse texture effect", which consists of the observation that natural vegetation in dry climates tends

  18. Relationship of the CreBC two-component regulatory system and inner membrane protein CreD with swimming motility in Stenotrophomonas maltophilia.

    Directory of Open Access Journals (Sweden)

    Hsin-Hui Huang

    Full Text Available The CreBC two-component system (TCS is a conserved regulatory system found in Escherichia coli, Aeromonas spp., Pseudomonas aeruginosa, and Stenotrophomonas maltophilia. In this study, we determined how CreBC TCS regulates secreted protease activities and swimming motility using creB, creC, and creBC in-frame deletion mutants (KJΔCreB, KJΔCreC, and KJΔBC of S. maltophilia KJ. Compared to wild-type KJ, KJΔCreB had a comparable secreted protease activity; however, the secreted protease activities were obviously reduced in KJΔCreC and KJΔBC, suggesting that CreC works together with another unidentified response regulator (not CreB to regulate secreted protease activity. Single gene inactivation of creB or creC resulted in mutants with an enhanced swimming motility, and this phenotype was exacerbated in a double mutant KJΔBC. To elucidate the underlying mechanism responsible for the ΔcreBC-mediated swimming enhancement, flagella morphology observation, RNA-seq based transcriptome assay, qRT-PCR, and membrane integrity and potential assessment were performed. Flagella morphological observation ruled out the possibility that swimming enhancement was due to altered flagella morphology. CreBC inactivation upregulated the expression of creD and flagella-associated genes encoding the basal body- and motor-associated proteins. Furthermore, KJΔBC had an increased membrane susceptibility to Triton X-100 and CreD upregulation in KJΔBC partially alleviated the compromise of membrane integrity. The impact of creBC TCS on bacterial membrane potential was assessed by carbonyl cyanide m-chlorophenyl hydrazine (CCCP50 concentration at which 50% of bacterial swimming is inhibited. CCCP50 of wild-type KJ increased when creBC was deleted, indicating an association between the higher membrane potential of KJΔBC cells and enhanced motility. Upregulation of the basal body- and motor-associated genes of flagella in KJΔBC cells may explain the increased

  19. The two-component system CpxRA negatively regulates the Locus of Enterocyte Effacement of enterohemorrhagic Escherichia coli involving sigma 32 and Lon protease

    Directory of Open Access Journals (Sweden)

    MIGUEL A. eDE LA CRUZ

    2016-02-01

    Full Text Available Enterohemorrhagic Escherichia coli (EHEC is a significant cause of serious human gastrointestinal disease worldwide. EHEC strains contain a pathogenicity island called the locus of enterocyte effacement (LEE, which encodes virulence factors responsible for damaging the gut mucosa. The Cpx envelope stress response of E. coli is controlled by a two-component system consisting of a sensor histidine kinase (CpxA and a cytoplasmic response regulator (CpxR. In this study, we investigated the role of CpxRA in the expression of LEE-encoded virulence factors of EHEC. We found that a mutation in cpxA significantly affected adherence of EHEC to human epithelial cells. Analysis of this mutant revealed the presence of high levels of CpxR which repressed transcription of grlA and ler, the main positive virulence regulators of the LEE, and influenced negatively the production of the type 3 secretion system–associated EspABD translocator proteins. It is known that CpxR activates rpoH (Sigma factor 32, which in turns activates transcription of the lon protease gene. We found that transcription levels of ler and grlA were significantly increased in the lon and cpxA lon mutants suggesting that lon is involved in down-regulating LEE genes. In addition, the Galleria mellonella model of infection was used to analyze the effect of the loss of the cpx and lon genes in EHEC’s ability to kill the larvae. We found that the cpxA mutant was significantly deficient at killing the larvae however, the cpxA lon mutant which overexpresses LEE genes in vitro, was unable to kill the larvae, suggesting that virulence in the G. mellonella model is T3SS independent and that CpxA modulates virulence through a yet unknown EHEC-specific factor. Our data provides new insights and broadens our scope into the complex regulatory network of the LEE in which the CpxA sensor kinase plays an important role in a cascade involving both global and virulence regulators.

  20. Role of the two component signal transduction system CpxAR in conferring cefepime and chloramphenicol resistance in Klebsiella pneumoniae NTUH-K2044.

    Directory of Open Access Journals (Sweden)

    Vijaya Bharathi Srinivasan

    Full Text Available BACKGROUND: Klebsiella pneumoniae is a gram-negative, non-motile, facultative anaerobe belonging to the Enterobacteriaceae family of the γ-Proteobacteria class in the phylum Proteobacteria. Multidrug resistant K. pneumoniae have caused major therapeutic problems worldwide due to emergence of extended-spectrum β-lactamase producing strains. Two-component systems serve as a basic stimulus-response coupling mechanism to allow organisms to sense and respond to changes in many different environmental conditions including antibiotic stress. PRINCIPAL FINDINGS: In the present study, we investigated the role of an uncharacterized cpxAR operon in bacterial physiology and antimicrobial resistance by generating isogenic mutant (ΔcpxAR deficient in the CpxA/CpxR component derived from the hyper mucoidal K1 strain K. pneumoniae NTUH-K2044. The behaviour of ΔcpxAR was determined under hostile conditions, reproducing stresses encountered in the gastrointestinal environment and deletion resulted in higher sensitivity to bile, osmotic and acid stresses. The ΔcpxAR was more susceptible to β-lactams and chloramphenicol than the wild-type strain, and complementation restored the altered phenotypes. The relative change in expression of acrB, acrD, eefB efflux genes were decreased in cpxAR mutant as evidenced by qRT-PCR. Comparison of outer membrane protein profiles indicated a conspicuous difference in the knock out background. Gel shift assays demonstrated direct binding of CpxR(KP to promoter region of ompC(KP in a concentration dependent manner. CONCLUSIONS AND SIGNIFICANCE: The Cpx envelope stress response system is known to be activated by alterations in pH, membrane composition and misfolded proteins, and this systematic investigation reveals its direct involvement in conferring antimicrobial resistance against clinically significant antibiotics for the very first time. Overall results displayed in this report reflect the pleiotropic role of the Cpx

  1. HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS IN THE 3 μ m REGION: ROLE OF PERIPHERY

    Energy Technology Data Exchange (ETDEWEB)

    Maltseva, Elena; Petrignani, Annemieke; Buma, Wybren Jan [University of Amsterdam, Science Park 904, 1098 XH Amsterdam (Netherlands); Candian, Alessandra; Mackie, Cameron J.; Tielens, Alexander G. G. M. [Leiden Observatory, Niels Bohrweg 2, 2333 CA Leiden (Netherlands); Huang, Xinchuan [SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Lee, Timothy J. [NASA Ames Research Center, Moffett Field, California 94035-1000 (United States); Oomens, Jos, E-mail: w.j.buma@uva.nl [Radboud University, Toernooiveld 7, 6525 ED Nijmegen (Netherlands)

    2016-11-01

    In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3 μ m absorption band. For this purpose, we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950–3150 cm{sup −1} range. The experimental spectra are compared with standard harmonic calculations and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3 μ m region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive data set of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3 μ m band, and on features such as the two-component emission character of this band and the 3 μ m emission plateau.

  2. High-Resolution IR Absorption Spectroscopy of Polycyclic Aromatic Hydrocarbons in the 3-micrometers Region: Role of Periphery

    Science.gov (United States)

    Maltseva, Elena; Petrignani, Annemieke; Candian, Alessandra; Mackie, Cameron J.; Huang, Xinchuan; Lee, Timothy J.; Tielens, Alexander G. G. M.; Oomens, Jos; Buma, Wybren Jan

    2017-01-01

    In this work we report on high-resolution IR absorption studies that provide a detailed view on how the peripheral structure of irregular polycyclic aromatic hydrocarbons (PAHs) affects the shape and position of their 3-micrometers absorption band. To this purpose we present mass-selected, high-resolution absorption spectra of cold and isolated phenanthrene, pyrene, benz[a]antracene, chrysene, triphenylene, and perylene molecules in the 2950-3150 per cm range. The experimental spectra are compared with standard harmonic calculations, and anharmonic calculations using a modified version of the SPECTRO program that incorporates a Fermi resonance treatment utilizing intensity redistribution. We show that the 3-micrometers region is dominated by the effects of anharmonicity, resulting in many more bands than would have been expected in a purely harmonic approximation. Importantly, we find that anharmonic spectra as calculated by SPECTRO are in good agreement with the experimental spectra. Together with previously reported high-resolution spectra of linear acenes, the present spectra provide us with an extensive dataset of spectra of PAHs with a varying number of aromatic rings, with geometries that range from open to highly-condensed structures, and featuring CH groups in all possible edge configurations. We discuss the astrophysical implications of the comparison of these spectra on the interpretation of the appearance of the aromatic infrared 3-micrometers band, and on features such as the two-component emission character of this band and the 3-micrometers emission plateau.

  3. Radiation chemistry of aromatic dimer radical cations

    International Nuclear Information System (INIS)

    Okamoto, Kazumasa; Tagawa, Seiichi

    2009-01-01

    π-π Interactions of aromatic molecules are paid attention much in many fields, especially biology, chemistry, and applied physics, represented as protein, DNA, electron donor-accepter complexes, charge transfers, and self assembly molecules. Aromatic molecules including benzene rings are the simplest case to study the π-π interactions. To interpret the charge resonance (CR) structure in the dimer radical cations, spectroscopic and ESR methods have been carried out. The spectroscopic study on the dimer radical ion of molecules with two chromophores would be profitable to identify the electronic and configurational properties. In this article, dynamics of the dimer radical cation of benzenes, polystyrenes, and resist polymers is described on the basis of direct observation of CR band by the nanosecond pulse radiolysis and low temperature γ-radiolysis methods. (author)

  4. Side Chain Cyclized Aromatic Amino Acids

    DEFF Research Database (Denmark)

    Van der Poorten, Olivier; Knuhtsen, Astrid; Sejer Pedersen, Daniel

    2016-01-01

    Constraining the conformation of flexible peptides is a proven strategy to increase potency, selectivity, and metabolic stability. The focus has mostly been on constraining the backbone dihedral angles; however, the correct orientation of the amino acid side chains (χ-space) that constitute...... the peptide pharmacophore is equally important. Control of χ-space utilizes conformationally constrained amino acids that favor, disfavor, or exclude the gauche (-), the gauche (+), or the trans conformation. In this review we focus on cyclic aromatic amino acids in which the side chain is connected...... to the peptide backbone to provide control of χ(1)- and χ(2)-space. The manifold applications for cyclized analogues of the aromatic amino acids Phe, Tyr, Trp, and His within peptide medicinal chemistry are showcased herein with examples of enzyme inhibitors and ligands for G protein-coupled receptors....

  5. Extremely long aromatics: diastereomerically pure [19]helicene

    Czech Academy of Sciences Publication Activity Database

    Nejedlý, Jindřich; Rybáček, Jiří; Stará, Irena G.; Starý, Ivo

    2016-01-01

    Roč. 14, č. 2 (2016), s. 78-79 ISSN 2336-7202. [Mezioborové setkání mladých biologů, biochemiků a chemiků /16./. 10.05.2016-13.05.2016, Milovy] R&D Projects: GA ČR(CZ) GA16-08294S Institutional support: RVO:61388963 Keywords : long helicene * long aromatics * chiral molecules Subject RIV: CC - Organic Chemistry

  6. Studies in Aromatic and Amine Nitration.

    Science.gov (United States)

    1980-05-20

    of Commerce, May 1978. 4. J. Hoggett , R. Moodie, F. Penton, and K. Schofield, Nitration and Aromatic Reactivity (Cambridge University Press, 1971). 5...Moodie, K. Schofield, and G. Tobin, J. Chem. Soc., Chem. Comm., 180 (1978); (b) J. Hoggett , R. Moodie, and K. Schofield, Chem. Comm. 605 (1969). 10. (a) S...Lawrence Livermore Laboratories (Received, 5th Februaty 1980; Com. 124.) 42 ’(a) J. Hoggett , R. B. Moodie, J. R. Penton, and K. Schofield, in ’Nitration

  7. Aromatic compounds from three Brazilian Lauraceae species

    Energy Technology Data Exchange (ETDEWEB)

    Batista, Andrea Nastri de Luca; Batista Junior, Joao Marcos; Lopez, Silvia Noeli; Furlan, Maysa; Cavalheiro, Alberto Jose; Silva, Dulce Helena Siqueira; Bolzani, Vanderlan da Silva [UNESP, Araraquara, SP (Brazil). Inst. de Quimica. Dept. de Quimica Organica; Nunomura, Sergio Massayoshi [Instituto Nacional de Pesquisa da Amazonia (INPA), Manaus, AM (Brazil). Dept. de Produtos Naturais; Yoshida, Massayoshi [Centro de Biotecnologia da Amazonia, Manaus, AM (Brazil)

    2010-07-01

    Phytochemical investigations on three Brazilian Lauraceae species from the Cerrado region of Sao Paulo State, Ocotea corymbosa (Meins) Mez., O. elegans Mez. and Persea pyrifolia Nees and Mart. ex Nees resulted in the isolation of flavonoids, an ester of the 4-O-E-caffeoylquinic acid, an aromatic sesquiterpene besides furofuran lignans. This is the first chemical study on the leaves of Ocotea elegans and O. corymbosa as well as the first report of non-volatile compounds from Persea pyrifolia. (author)

  8. Aromatic compounds from three Brazilian Lauraceae species

    International Nuclear Information System (INIS)

    Batista, Andrea Nastri de Luca; Batista Junior, Joao Marcos; Lopez, Silvia Noeli; Furlan, Maysa; Cavalheiro, Alberto Jose; Silva, Dulce Helena Siqueira; Bolzani, Vanderlan da Silva

    2010-01-01

    Phytochemical investigations on three Brazilian Lauraceae species from the Cerrado region of Sao Paulo State, Ocotea corymbosa (Meins) Mez., O. elegans Mez. and Persea pyrifolia Nees and Mart. ex Nees resulted in the isolation of flavonoids, an ester of the 4-O-E-caffeoylquinic acid, an aromatic sesquiterpene besides furofuran lignans. This is the first chemical study on the leaves of Ocotea elegans and O. corymbosa as well as the first report of non-volatile compounds from Persea pyrifolia. (author)

  9. Microbial transformation of chlorinated aromatics in sediments

    OpenAIRE

    Beurskens, J.E.M.

    1995-01-01

    Numerous contaminants like heavy metals, polycyclic aromatic hydrocarbons (PAHs), chlorinated benzenes (CBs), polychlorinated biphenyls (PCBs), polychlorinated dibenzo- p -dioxins (PCDDs) and polychlorinated furans (PCDFs) are detected in the major rivers in the Netherlands. These contaminants have relatively low aqueous solubilities and bind substantially to the suspended solids in river water. Due to decreasing stream velocities in the downstream stretches of a...

  10. Activity relationships for aromatic crown ethers

    International Nuclear Information System (INIS)

    Wilson, Mark James

    1998-01-01

    This thesis involves an investigation of aromatic crown ethers and a study of their binding constants for alkali metals. The study was motivated by the current needs of the semiconductor industry to improve the scavenging of mobile ions from fabricated circuits. A number of aromatic crown ethers have been sulphonated in an attempt to improve their water solubility and cation binding activity. These materials have been extensively studied and their binding activity determined. In collaboration with a molecular modelling study, the effect of ionisable sulphonate groups on the macrocycles' behaviour has been investigated. The broader issue of the effect of substituents in aromatic crown ethers has also been studied with the preparation of a wide range of substituted crown ethers. The cation binding activity of these materials has been found to bear a simple relationship to the electron withdrawing nature of the aromatic substituents. This relationship can be accurately monitored using electronic charge densities from molecular modelling and this rational has been applied to the study of proton ionisable and lariating crown ethers. The incorporation of crown ethers into polyamic acid and polyimide frameworks has also been investigated, where the resulting materials have been found to exhibit unusual cation binding and uptake properties. These results imply that the combination of the crown ethers' macrocycle and adjacent carboxylic acid residues, from the polyamic acids, are conducive to effective cationic binding. NMR measurements, in conjunction with molecular modelling, have been used to explore the geometry changes encountered as the crown ether goes from it's uncomplexed to its complexed state. The energy requirement for these geometry changes has subsequently been used to examine the cation selectivity of these materials. The electronic charge changes associated with the complexation have also been investigated and correlated with the theoretical results. (author)

  11. Transformations of aromatic hydrocarbons over zeolites

    Czech Academy of Sciences Publication Activity Database

    Voláková, Martina; Žilková, Naděžda; Čejka, Jiří

    2008-01-01

    Roč. 34, 5-7 (2008), s. 439-454 ISSN 0922-6168 R&D Projects: GA ČR GA203/05/0197; GA AV ČR 1QS400400560; GA AV ČR KJB4040402 Institutional research plan: CEZ:AV0Z40400503 Keywords : aromatic hydrocarbons * zeolites * alkylation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.514, year: 2008

  12. Aromatics Oxidation and Soot Formation in Flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J. B.; Richter, H.

    2005-03-29

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and the growth process to polycyclic aromatic hydrocarbons (PAH) of increasing size, soot and fullerenes formation in flames. The overall objective of the experimental aromatics oxidation work is to extend the set of available data by measuring concentration profiles for decomposition intermediates such as phenyl, cyclopentadienyl, phenoxy or indenyl radicals which could not be measured with molecular-beam mass spectrometry to permit further refinement and testing of benzene oxidation mechanisms. The focus includes PAH radicals which are thought to play a major role in the soot formation process while their concentrations are in many cases too low to permit measurement with conventional mass spectrometry. The radical species measurements are used in critical testing and improvement of a kinetic model describing benzene oxidation and PAH growth. Thermodynamic property data of selected species are determined computationally, for instance using density functional theory (DFT). Potential energy surfaces are explored in order to identify additional reaction pathways. The ultimate goal is to understand the conversion of high molecular weight compounds to nascent soot particles, to assess the roles of planar and curved PAH and relationships between soot and fullerenes formation. The specific aims are to characterize both the high molecular weight compounds involved in the nucleation of soot particles and the structure of soot including internal nanoscale features indicative of contributions of planar and/or curved PAH to particle inception.

  13. Strong CH/O interactions between polycyclic aromatic hydrocarbons and water: Influence of aromatic system size.

    Science.gov (United States)

    Veljković, Dušan Ž

    2018-03-01

    Energies of CH/O interactions between water molecule and polycyclic aromatic hydrocarbons with a different number of aromatic rings were calculated using ab initio calculations at MP2/cc-PVTZ level. Results show that an additional aromatic ring in structure of polycyclic aromatic hydrocarbons significantly strengthens CH/O interactions. Calculated interaction energies in optimized structures of the most stable tetracene/water complex is -2.27 kcal/mol, anthracene/water is -2.13 kcal/mol and naphthalene/water is -1.97 kcal/mol. These interactions are stronger than CH/O contacts in benzene/water complex (-1.44 kcal/mol) while CH/O contacts in tetracene/water complex are even stronger than CH/O contacts in pyridine/water complexes (-2.21 kcal/mol). Electrostatic potential maps for different polycyclic aromatic hydrocarbons were calculated and used to explain trends in the energies of interactions. Copyright © 2017 Elsevier Inc. All rights reserved.

  14. Metabolism and Biomarkers of Heterocyclic Aromatic Amines in Molecular Epidemiology Studies: Lessons Learned from Aromatic Amines

    Science.gov (United States)

    2011-01-01

    Aromatic amines and heterocyclic aromatic amines (HAAs) are structurally related classes of carcinogens that are formed during the combustion of tobacco or during the high-temperature cooking of meats. Both classes of procarcinogens undergo metabolic activation by N-hydroxylation of the exocyclic amine group, to produce a common proposed intermediate, the arylnitrenium ion, which is the critical metabolite implicated in toxicity and DNA damage. However, the biochemistry and chemical properties of these compounds are distinct and different biomarkers of aromatic amines and HAAs have been developed for human biomonitoring studies. Hemoglobin adducts have been extensively used as biomarkers to monitor occupational and environmental exposures to a number of aromatic amines; however, HAAs do not form hemoglobin adducts at appreciable levels and other biomarkers have been sought. A number of epidemiologic studies that have investigated dietary consumption of well-done meat in relation to various tumor sites reported a positive association between cancer risk and well-done meat consumption, although some studies have shown no associations between well-done meat and cancer risk. A major limiting factor in most epidemiological studies is the uncertainty in quantitative estimates of chronic exposure to HAAs and, thus, the association of HAAs formed in cooked meat and cancer risk has been difficult to establish. There is a critical need to establish long-term biomarkers of HAAs that can be implemented in molecular epidemioIogy studies. In this review article, we highlight and contrast the biochemistry of several prototypical carcinogenic aromatic amines and HAAs to which humans are chronically exposed. The biochemical properties and the impact of polymorphisms of the major xenobiotic-metabolizing enzymes on the biological effects of these chemicals are examined. Lastly, the analytical approaches that have been successfully employed to biomonitor aromatic amines and HAAs, and

  15. Recent Advances in Microbial Production of Aromatic Chemicals and Derivatives.

    Science.gov (United States)

    Noda, Shuhei; Kondo, Akihiko

    2017-08-01

    Along with the development of metabolic engineering and synthetic biology tools, various microbes are being used to produce aromatic chemicals. In microbes, aromatics are mainly produced via a common important precursor, chorismate, in the shikimate pathway. Natural or non-natural aromatics have been produced by engineering metabolic pathways involving chorismate. In the past decade, novel approaches have appeared to produce various aromatics or to increase their productivity, whereas previously, the targets were mainly aromatic amino acids and the strategy was deregulating feedback inhibition. In this review, we summarize recent studies of microbial production of aromatics based on metabolic engineering approaches. In addition, future perspectives and challenges in this research area are discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. A method of refining aromatic hydrocarbons from coal chemical production

    Energy Technology Data Exchange (ETDEWEB)

    Zieborak, K.; Koprowski, A.; Ratajczak, W.

    1979-10-01

    A method is disclosed for refining aromatic hydrocarbons of coal chemical production by contact of liquid aromatic hydrocarbons and their mixtures with a strongly acid macroporous sulfocationite in the H-form at atmospheric pressure and high temperature. The method is distinguished in that the aromatic hydrocarbons and their mixtures, from which alkali compounds have already been removed, are supplied for refinement with the sulfocationite with simultaneous addition of olefin derivatives of aromatic hydrocarbons, followed by separation of pure hydrocarbons by rectification. Styrene or alpha-methylstyrene is used as the olefin derivatives of the aromatic hydrocarbons. The method is performed in several stages with addition of olefin derivatives of aromatic hydrocarbons at each stage.

  17. Cation Radical Accelerated Nucleophilic Aromatic Substitution via Organic Photoredox Catalysis.

    Science.gov (United States)

    Tay, Nicholas E S; Nicewicz, David A

    2017-11-15

    Nucleophilic aromatic substitution (S N Ar) is a direct method for arene functionalization; however, it can be hampered by low reactivity of arene substrates and their availability. Herein we describe a cation radical-accelerated nucleophilic aromatic substitution using methoxy- and benzyloxy-groups as nucleofuges. In particular, lignin-derived aromatics containing guaiacol and veratrole motifs were competent substrates for functionalization. We also demonstrate an example of site-selective substitutive oxygenation with trifluoroethanol to afford the desired trifluoromethylaryl ether.

  18. Spectrofluorimetric study of the aromatic carbohydrates of Noriisk petroleum

    Energy Technology Data Exchange (ETDEWEB)

    Alekseeva, T.A.; Lekveishvili, E.G.; Melikadze, L.D.; Teplitskaia, T.A.; Tevdorashvili, M.N.

    1979-01-01

    Investigation was made of the specimens of aromatic hydrocarbons which were produced by photochemical decomposition of the products of photocondensation with maleicanhydride of narrow aromatic fractions separated by a system of methods from a high temperature part of Noriisk petroleum. Use was made of a standard spectrofluorimeter of low resolution. A series of aromatic hydrocarbons, naphthalene, benzofluorene, phenantrene, chrizene, pyrene, tetraphene, and 3,4-benzophenantrene were installed in the machine.

  19. Separation of aromatics by vapor permeation through solvent swollen membrane

    Energy Technology Data Exchange (ETDEWEB)

    Ito, A.; Adachi, K.; Feng, Y. [Niigata University, Niigata (Japan)

    1995-12-20

    A vapor permeation process for aromatics separation from a hydrocarbon mixture was studied by means of the simultaneous permeation of dimethylsulfoxide vapor as an agent for membrane swelling and preferential permeation of aromatics. The separation performance of the process was demonstrated by a polyvinylalcohol membrane for mixed vapors of benzene/cyclohexane, xylene/octane and a model gasoline. The aromatic vapors preferentially permeated from these mixed vapor feeds. The separation factor was over 10. The separation mechanism of the process mainly depends on the relative salability of the vapors between aromatics and other hydrocarbons in dimethylsulfoxide. 14 refs., 9 figs., 1 tab.

  20. Aromatic plant production on metal contaminated soils

    International Nuclear Information System (INIS)

    Zheljazkov, Valtcho D.; Craker, Lyle E.; Xing Baoshan; Nielsen, Niels E.; Wilcox, Andrew

    2008-01-01

    Field and container experiments were conducted to assess the feasibility of growing aromatic crops in metal contaminated areas and the effect of metals on herbage and oil productivity. The field experiments were conducted in the vicinities of the Non-Ferrous Metals Combine (Zn-Cu smelter) near Plovdiv, Bulgaria using coriander, sage, dill, basil, hyssop, lemon balm, and chamomile grown at various distances from the smelter. Herbage essential oil yields of basil, chamomile, dill, and sage were reduced when they were grown closer to the smelter. Metal removal from the site with the harvestable plant parts was as high as 180 g ha -1 for Cd, 660 g ha -1 for Pb, 180 g ha -1 for Cu, 350 g ha -1 for Mn, and 205 g ha -1 for Zn. Sequential extraction of soil demonstrated that metal fractionation was affected by the distance to the smelter. With decreasing distance to the smelter, the transfer factor (TF) for Cu and Zn decreased but increased for Cd, while the bioavailability factor (BF) for Cd, Pb, Cu, Mn, and Zn decreased. Scanning electron microscopy and X-ray microanalyses of contaminated soil verified that most of the Pb, Cd, Mn, Cu, and Zn were in the form of small (< 1 μm) particles, although there were larger particles (1-5 μm) with high concentrations of individual metals. This study demonstrated that high concentrations of heavy metals in soil or growth medium did not result in metal transfer into the essential oil. Of the tested metals, only Cu at high concentrations may reduce oil content. Our results demonstrated that aromatic crops may not have significant phytoremediation potential, but growth of these crops in metal contaminated agricultural soils is a feasible alternative. Aromatic crops can provide economic return and metal-free final product, the essential oil

  1. Aromatic plant production on metal contaminated soils

    Energy Technology Data Exchange (ETDEWEB)

    Zheljazkov, Valtcho D. [Mississippi State, Department of Plant and Soil Sciences and North Mississippi Research and Extension Center, 5421 Highway 145 South, Verona, MS 38879 (United States)], E-mail: vj40@pss.msstate.edu; Craker, Lyle E.; Xing Baoshan [Department of Plant and Soil Sciences, 12 Stockbridge Hall, University of Massachusetts, Amherst, MA 01003 (United States); Nielsen, Niels E. [Plant Nutrition and Soil Fertility Lab, Department of Agricultural Sciences, Royal Veterinary and Agricultural University, Thorvaldsensvej 40, DK1871, Copenhagen (Denmark); Wilcox, Andrew [Harper Adams University College, Newport, Shropshire, TF10 8NB (United Kingdom)

    2008-06-01

    Field and container experiments were conducted to assess the feasibility of growing aromatic crops in metal contaminated areas and the effect of metals on herbage and oil productivity. The field experiments were conducted in the vicinities of the Non-Ferrous Metals Combine (Zn-Cu smelter) near Plovdiv, Bulgaria using coriander, sage, dill, basil, hyssop, lemon balm, and chamomile grown at various distances from the smelter. Herbage essential oil yields of basil, chamomile, dill, and sage were reduced when they were grown closer to the smelter. Metal removal from the site with the harvestable plant parts was as high as 180 g ha{sup -1} for Cd, 660 g ha{sup -1} for Pb, 180 g ha{sup -1} for Cu, 350 g ha{sup -1} for Mn, and 205 g ha{sup -1} for Zn. Sequential extraction of soil demonstrated that metal fractionation was affected by the distance to the smelter. With decreasing distance to the smelter, the transfer factor (TF) for Cu and Zn decreased but increased for Cd, while the bioavailability factor (BF) for Cd, Pb, Cu, Mn, and Zn decreased. Scanning electron microscopy and X-ray microanalyses of contaminated soil verified that most of the Pb, Cd, Mn, Cu, and Zn were in the form of small (< 1 {mu}m) particles, although there were larger particles (1-5 {mu}m) with high concentrations of individual metals. This study demonstrated that high concentrations of heavy metals in soil or growth medium did not result in metal transfer into the essential oil. Of the tested metals, only Cu at high concentrations may reduce oil content. Our results demonstrated that aromatic crops may not have significant phytoremediation potential, but growth of these crops in metal contaminated agricultural soils is a feasible alternative. Aromatic crops can provide economic return and metal-free final product, the essential oil.

  2. Polycyclic aromatic hydrocarbons in stellar medium

    Science.gov (United States)

    Rastogi, Shantanu

    2005-06-01

    Polycyclic Aromatic Hydrocarbons (PAHs) are an important com- ponent of the Interstellar Medium (ISM). They are being used as probes for understanding of process and conditions of different astrophysical environments. The understanding of their IR spectra and its variations with PAH size and ionization state is useful in characterizing the ISM. Spectral features of model graphene sheets and also that of smaller PAH molecules are reported. The variation of intensity with charge state of the molecule shows that cations give a better correlation with observations. The relationship between changes in charge distribution with intensity changes upon ionization has been probed.

  3. Microbial degradation of polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Volkering, F.; Breure, A.M.; Andel, J.G. van

    1992-01-01

    Polycyclic aromatic hydrocarbons (PAH) are hazardous compounds originating from oil, tar, creosote, or from incomplete combustion of fossil fuels. Application of biotechnological techniques for remediation of polluted soils from PAH demonstrated that the high molecular compounds are degraded very slowly, and that the residual concentration of PAH often is too high to permit application of the treated soil. Investigations were started to establish process parameters for optimal biodegradation of PAH. The aim is to achieve a relation between the physical properties of PAH and the biodegradation kinetics in different matrices, in order to identify applicability of biotechnological cleanup methods for waste streams and polluted soil. (orig.) [de

  4. Aromatics oxidation and soot formation in flames

    Energy Technology Data Exchange (ETDEWEB)

    Howard, J.B.; Pope, C.J.; Shandross, R.A.; Yadav, T. [Massachusetts Institute of Technology, Cambridge (United States)

    1993-12-01

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and soot and fullerenes formation in flames. The scope includes detailed measurements of profiles of stable and radical species concentrations in low-pressure one-dimensional premixed flames. Intermediate species identifications and mole fractions, fluxes, and net reaction rates calculated from the measured profiles are used to test postulated reaction mechanisms. Particular objectives are to identify and to determine or confirm rate constants for the main benzene oxidation reactions in flames, and to characterize fullerenes and their formation mechanisms and kinetics.

  5. Aromatic metabolism of filamentous fungi in relation to the presence of aromatic compounds in plant biomass

    NARCIS (Netherlands)

    Mäkelä, Miia R; Marinović, Mila; Nousiainen, Paula; Liwanag, April J M; Benoit, Isabelle; Sipilä, Jussi; Hatakka, Annele; de Vries, Ronald P; Hildén, Kristiina S

    2015-01-01

    The biological conversion of plant lignocellulose plays an essential role not only in carbon cycling in terrestrial ecosystems but also is an important part of the production of second generation biofuels and biochemicals. The presence of the recalcitrant aromatic polymer lignin is one of the major

  6. Structural characterization of the heme-based oxygen sensor, AfGcHK, its interactions with the cognate response regulator, and their combined mechanism of action in a bacterial two-component signaling system

    Czech Academy of Sciences Publication Activity Database

    Stráňava, M.; Martínek, V.; Man, Petr; Fojtíková, V.; Kavan, Daniel; Vaněk, O.; Shimizu, T.; Martínková, M.

    2016-01-01

    Roč. 84, č. 10 (2016), s. 1375-1389 ISSN 1097-0134 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0109 Institutional support: RVO:61388971 Keywords : heme-based oxygen sensor * histidine kinase * two-component signal transduction system Subject RIV: CE - Biochemistry

  7. Zirconacyclopentadiene-annulated polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Kiel, Gavin R.; Ziegler, Micah S.; Tilley, T. Don

    2017-01-01

    Syntheses of large polycyclic aromatic hydrocarbons (PAHs) and graphene nanostructures demand methods that are capable of selectively and efficiently fusing large numbers of aromatic rings, yet such methods remain scarce. Herein, we report a new approach that is based on the quantitative intramolecular reductive cyclization of an oligo(diyne) with a low-valent zirconocene reagent, which gives a PAH with one or more annulated zirconacyclopentadienes (ZrPAHs). The efficiency of this process is demonstrated by a high-yielding fivefold intramolecular coupling to form a helical ZrPAH with 16 fused rings (from a precursor with no fused rings). Several other PAH topologies are also reported. Protodemetalation of the ZrPAHs allowed full characterization (including by X-ray crystallography) of PAHs containing one or more appended dienes with the ortho-quinodimethane (o-QDM) structure, which are usually too reactive for isolation and are potentially valuable for the fusion of additional rings by Diels-Alder reactions. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Zirconacyclopentadiene-annulated polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Kiel, Gavin R.; Ziegler, Micah S.; Tilley, T. Don [Department of Chemistry, University of California, Berkeley, CA (United States)

    2017-04-18

    Syntheses of large polycyclic aromatic hydrocarbons (PAHs) and graphene nanostructures demand methods that are capable of selectively and efficiently fusing large numbers of aromatic rings, yet such methods remain scarce. Herein, we report a new approach that is based on the quantitative intramolecular reductive cyclization of an oligo(diyne) with a low-valent zirconocene reagent, which gives a PAH with one or more annulated zirconacyclopentadienes (ZrPAHs). The efficiency of this process is demonstrated by a high-yielding fivefold intramolecular coupling to form a helical ZrPAH with 16 fused rings (from a precursor with no fused rings). Several other PAH topologies are also reported. Protodemetalation of the ZrPAHs allowed full characterization (including by X-ray crystallography) of PAHs containing one or more appended dienes with the ortho-quinodimethane (o-QDM) structure, which are usually too reactive for isolation and are potentially valuable for the fusion of additional rings by Diels-Alder reactions. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Combinations of Aromatic and Aliphatic Radiolysis.

    Science.gov (United States)

    LaVerne, Jay A; Dowling-Medley, Jennifer

    2015-10-08

    The production of H(2) in the radiolysis of benzene, methylbenzene (toluene), ethylbenzene, butylbenzene, and hexylbenzene with γ-rays, 2-10 MeV protons, 5-20 MeV helium ions, and 10-30 MeV carbon ions is used as a probe of the overall radiation sensitivity and to determine the relative contributions of aromatic and aliphatic entities in mixed hydrocarbons. The addition of an aliphatic side chain with progressively from one to six carbon lengths to benzene increases the H(2) yield with γ-rays, but the yield seems to reach a plateau far below that found from a simple aliphatic such as cyclohexane. There is a large increase in H(2) with LET (linear energy transfer) for all of the substituted benzenes, which indicates that the main process for H(2) formation is a second-order process and dominated by the aromatic entity. The addition of a small amount of benzene to cyclohexane can lower the H(2) yield from the value expected from a simple mixture law. A 50:50% volume mixture of benzene-cyclohexane has essentially the same H(2) yield as cyclohexylbenzene at a wide variation in LET, suggesting that intermolecular energy transfer is as efficient as intramolecular energy transfer.

  10. A Review of Polycyclic Aromatic Hydrocarbons and Heavy Metal ...

    African Journals Online (AJOL)

    A Review of Polycyclic Aromatic Hydrocarbons and Heavy Metal Contamination of Fish from Fish Farms. ... Journal of Applied Sciences and Environmental Management ... Polycyclic aromatic hydrocarbons (PAHs) and heavy metals contribute to pollutants in aquaculture facilities and thus need to be further investigated.

  11. Application of aromatization catalyst in synthesis of carbon nanotubes

    Indian Academy of Sciences (India)

    In a typical chemical vapour deposition (CVD) process for synthesizing carbon nanotubes (CNTs), it was found that the aromatization catalysts could promote effectively the formation of CNT. The essence of this phenomenon was attributed to the fact that the aromatization catalyst can accelerate the ...

  12. Metal Triflates for the Production of Aromatics from Lignin

    NARCIS (Netherlands)

    Deuss, Peter J.; Lahive, Ciaran W.; Lancefield, Christopher S.; Westwood, Nicholas J.; Kamer, Paul C. J.; Barta, Katalin; de Vries, Johannes G.

    2016-01-01

    The depolymerization of lignin into valuable aromatic chemicals is one of the key goals towards establishing economically viable biorefineries. In this contribution we present a simple approach for converting lignin to aromatic monomers in high yields under mild reaction conditions. The methodology

  13. Extraction of aromatics from naphtha with ionic liquids

    NARCIS (Netherlands)

    Meindersma, G.W.

    2005-01-01

    The objective of this study was the development of a separation technology for the selective recovery and purification of aromatic compounds benzene, toluene, ethylbenzene and xylenes (BTEX) from liquid ethylene cracker feeds. Most ethylene cracker feeds contain 10 ¿ 25% of aromatic components,

  14. Irradiated aromatic polysulphones of increased flow resistance and molecular weight

    International Nuclear Information System (INIS)

    Staniland, P.A.; Jarrett, W.G.

    1976-01-01

    Aromatic polymers of increased resistance to flow and molecular weight are obtained by irradiation using β-rays or γ-rays at temperatures up to 400 0 C of an aromatic polymer whose molecular chains comprise benzenoid groups and bivalent linking groups, and where irradiation is γ-rays by heating subsequent to irradiation at 200 to 400 0 C

  15. High atmosphere–ocean exchange of semivolatile aromatic hydrocarbons

    KAUST Repository

    González-Gaya, Belén

    2016-05-16

    Polycyclic aromatic hydrocarbons, and other semivolatile aromatic-like compounds, are an important and ubiquitous fraction of organic matter in the environment. The occurrence of semivolatile aromatic hydrocarbons is due to anthropogenic sources such as incomplete combustion of fossil fuels or oil spills, and other biogenic sources. However, their global transport, fate and relevance for the carbon cycle have been poorly assessed, especially in terms of fluxes. Here we report a global assessment of the occurrence and atmosphere-ocean fluxes of 64 polycyclic aromatic hydrocarbons analysed in paired atmospheric and seawater samples from the tropical and subtropical Atlantic, Pacific and Indian oceans. The global atmospheric input of polycyclic aromatic hydrocarbons to the global ocean is estimated at 0.09 Tg per month, four times greater than the input from the Deepwater Horizon spill. Moreover, the environmental concentrations of total semivolatile aromatic-like compounds were 10 2 -10 3 times higher than those of the targeted polycyclic aromatic hydrocarbons, with a relevant contribution of an aromatic unresolved complex mixture. These concentrations drive a large global deposition of carbon, estimated at 400 Tg C yr -1, around 15% of the oceanic CO2 uptake. © 2016 Macmillan Publishers Limited.

  16. Anaerobic catabolism of aromatic compounds: a genetic and genomic view.

    Science.gov (United States)

    Carmona, Manuel; Zamarro, María Teresa; Blázquez, Blas; Durante-Rodríguez, Gonzalo; Juárez, Javier F; Valderrama, J Andrés; Barragán, María J L; García, José Luis; Díaz, Eduardo

    2009-03-01

    Aromatic compounds belong to one of the most widely distributed classes of organic compounds in nature, and a significant number of xenobiotics belong to this family of compounds. Since many habitats containing large amounts of aromatic compounds are often anoxic, the anaerobic catabolism of aromatic compounds by microorganisms becomes crucial in biogeochemical cycles and in the sustainable development of the biosphere. The mineralization of aromatic compounds by facultative or obligate anaerobic bacteria can be coupled to anaerobic respiration with a variety of electron acceptors as well as to fermentation and anoxygenic photosynthesis. Since the redox potential of the electron-accepting system dictates the degradative strategy, there is wide biochemical diversity among anaerobic aromatic degraders. However, the genetic determinants of all these processes and the mechanisms involved in their regulation are much less studied. This review focuses on the recent findings that standard molecular biology approaches together with new high-throughput technologies (e.g., genome sequencing, transcriptomics, proteomics, and metagenomics) have provided regarding the genetics, regulation, ecophysiology, and evolution of anaerobic aromatic degradation pathways. These studies revealed that the anaerobic catabolism of aromatic compounds is more diverse and widespread than previously thought, and the complex metabolic and stress programs associated with the use of aromatic compounds under anaerobic conditions are starting to be unraveled. Anaerobic biotransformation processes based on unprecedented enzymes and pathways with novel metabolic capabilities, as well as the design of novel regulatory circuits and catabolic networks of great biotechnological potential in synthetic biology, are now feasible to approach.

  17. A Simple Alternative Method for the Synthesis of Aromatic Dialdehydes

    OpenAIRE

    KOZ, Gamze; ASTLEY, Demet; ASTLEY, Stephen

    2011-01-01

    Aromatic dialdehydes were synthesized from 5-t-butylsalicylaldehyde and o-vanilline in good yields using paraformaldehyde, hydrobromic acid and catalytic amounts of sulfuric acid in one step which was previously unavailable with present methods. Key Words: aromatic dialdehydes, bromomethylation, 5-t-butylsalicylaldehyde, o-vanilline. 

  18. A Simple Alternative Method for the Synthesis of Aromatic Dialdehydes

    OpenAIRE

    KOZ, Gamze; ASTLEY, Demet; ASTLEY, Stephen Thomas

    2012-01-01

    Aromatic dialdehydes were synthesized from 5-t-butylsalicylaldehyde and o-vanilline in good yields using paraformaldehyde, hydrobromic acid and catalytic amounts of sulfuric acid in one step which was previously unavailable with present methods. Key Words: aromatic dialdehydes, bromomethylation, 5-t-butylsalicylaldehyde, o-vanilline. 

  19. Proximate Composition, Mineral Content and Fatty Acids Analyses of Aromatic and Non-Aromatic Indian Rice

    Directory of Open Access Journals (Sweden)

    Deepak Kumar Verma

    2017-01-01

    Full Text Available Awareness on nutritive value and health benefits of rice is of vital importance in order to increase the consumption of rice in daily diet of the human beings. In this study, a total of six aromatic and two non-aromatic rice accessions grown in India were analysed for their nutritional quality attributes including proximate composition, mineral contents and fatty acids. Data with three replications were used to measure Pearson's simple correlation co-efficient in order to establish the relationship among various nutritional quality attributes. The result on proximate composition showed that Govind Bhog had the highest moisture (13.57% and fat (0.92% content, which signifies its tasty attribute. Badshah Bhog exhibited the highest fibre content (0.85%, carbohydrate content (82.70% and food energy (365.23 kCal per 100 g. Among the minerals, the higher Ca (98.75 mg/kg, Zn (17.00 mg/kg and Fe (31.50 mg/kg were in Gopal Bhog, whereas the highest Na (68.85 mg/kg was in Badshah Bhog, the highest K (500.00 mg/kg was in Swetganga, Khushboo and Sarbati. The highest contents of unsaturated fatty acids viz. oleic acid (49.14%, linoleic acid (46.99% and linolenic acid (1.27% were found in Sarbati, whereas the highest content of saturated fatty acids viz. myristic acid (4.60% and palmitic acid (31.91% were found in Govind Bhog and stearic acid (6.47% in Todal. The identified aromatic rice accessions Gopal Bhog, Govind Bhog and Badshah Bhog and non-aromatic rice accession Sarbati were found nutritionally superior among all eight tested accessions. The nutritional quality oriented attributes in this study were competent with recognized prominent aromatic and non-aromatic rice accessions as an index of their nutritional worth and recommend to farmers and consumers which may be graded as export quality rice with good unique nutritional values in international market.

  20. Pro-aromatic and anti-aromatic π-conjugated molecules: an irresistible wish to be diradicals

    KAUST Repository

    Zeng, Zebing

    2015-01-01

    © 2015 The Royal Society of Chemistry. Aromaticity is an important concept to understand the stability and physical properties of π-conjugated molecules. Recent studies on pro-aromatic and anti-aromatic molecules revealed their irresistible tendency to become diradicals in the ground state. Diradical character thus becomes another very important concept and it is fundamentally correlated to the physical (optical, electronic and magnetic) properties and chemical reactivity of most of the organic optoelectronic materials. Molecules with distinctive diradical character show unique properties which are very different from those of traditional closed-shell π-conjugated systems, and thus they have many potential applications in organic electronics, spintronics, non-linear optics and energy storage. This critical review first introduces the fundamental electronic structure of Kekulé diradicals within the concepts of anti-aromaticity and pro-aromaticity in the context of Hückel aromaticity and diradical character. Then recent research studies on various stable/persistent diradicaloids based on pro-aromatic and anti-aromatic compounds are summarized and discussed with regard to their synthetic chemistry, physical properties, structure-property relationships and potential material applications. A summary and personal perspective is given at the end.

  1. Polycyclic aromatic hydrocarbons (PAHs) in yogurt samples.

    Science.gov (United States)

    Battisti, Chiara; Girelli, Anna Maria; Tarola, Anna Maria

    2015-01-01

    The concentrations and distributions of major polycyclic aromatic hydrocarbons (PAHs) were determined in 20 kinds of yogurt specimens collected from Italian supermarkets using reversed phase high-performance liquid chromatography equipped with fluorescence detection. The method was validated by determination of recovery percentages, precision (repeatability) and sensitivity (limits of detection) with yogurt samples fortified at 0.25, 0.5 and 1 µg/kg concentration levels. The recovery of 13 PAHs, with the exception of naphthalene and acenaphthene, ranged from 61% to 130% and from 60% to 97% at all the levels for yogurts with low (0.1%) and high (3.9%) fat content, respectively. The method is repeatable with relative standard deviation values yogurts with low and high fats were compared.

  2. Naturally occurring antifungal aromatic esters and amides

    International Nuclear Information System (INIS)

    Ali, M.S.; Shahnaz; Tabassum, S.; Ogunwande, I.A.; Pervez, M.K.

    2010-01-01

    During the search of antifungal natural products from terrestrial plants, a new long chained aromatic ester named grandiflorate along with spatazoate from Portulaca grandiflora and N-[2-methoxy-2-(4-methoxyphenyl) ethyl]-trans-cinnamide and aegeline from Solanum erianthum of Nigeria were isolated and tested against six fungal species. The known constituents have not been reported so far from mentioned investigated plants. Structures of the isolated compounds were elucidated with the aid of spectroscopic techniques including two dimensional NMR experiments. Among the compounds, the esters found more potent than amides against Candida albicans and Aspergillus flavus. The new compound grandiflorate gave response against all tested fungal species while aegeline was found to give lowest inhibition during this study. (author)

  3. Naturally occurring antifungal aromatic esters and amides

    Energy Technology Data Exchange (ETDEWEB)

    Ali, M S; Shahnaz,; Tabassum, S; Ogunwande, I A; Pervez, M K [University of Karachi (Pakistan). HEJ Research Inst. of Chemistry, International Centre for Chemical and Biological Sciences

    2010-08-15

    During the search of antifungal natural products from terrestrial plants, a new long chained aromatic ester named grandiflorate along with spatazoate from Portulaca grandiflora and N-[2-methoxy-2-(4-methoxyphenyl) ethyl]-trans-cinnamide and aegeline from Solanum erianthum of Nigeria were isolated and tested against six fungal species. The known constituents have not been reported so far from mentioned investigated plants. Structures of the isolated compounds were elucidated with the aid of spectroscopic techniques including two dimensional NMR experiments. Among the compounds, the esters found more potent than amides against Candida albicans and Aspergillus flavus. The new compound grandiflorate gave response against all tested fungal species while aegeline was found to give lowest inhibition during this study. (author)

  4. Photochemically induced oscillations of aromatic pentazadienes

    Energy Technology Data Exchange (ETDEWEB)

    Kunz, T; Hahn, C; Wokaun, A [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Aromatic pentazadienes are used to enhance the laser induced ablation of standard polymers with low absorption in the UV. Therefore the photochemistry of substituted 1,5-diaryl-3-alkyl-1,4-pentazadiene monomers was studied with a pulsed excimer laser as irradiation source. The net photochemical reaction proceeds in an overall one-step pathway A{yields}B. Quantum yields for the laser decomposition were determined to be up to 10%. An oscillating behaviour of the absorption was found during the dark period following the irradiation. The temperature dependence of this dark reaction has been studied. An attempt to model this behaviour in terms of a non-linear coupling between heat released, heat transfer, and reaction kinetics will be described. (author) 4 figs., 4 refs.

  5. Experimental and Theoretical Investigation of the Aromatic-Aromatic Interaction in Isolated Capped Dipeptides

    Czech Academy of Sciences Publication Activity Database

    Gloaguen, E.; Valdés, H.; Pagliarulo, F.; Pollet, R.; Tardivel, B.; Hobza, Pavel; Piuzzi, F.; Mons, M.

    2010-01-01

    Roč. 114, č. 9 (2010), s. 2973-2982 ISSN 1089-5639 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : aromatic residues interactions * Ac-Phe-Phe-NH2 dipeptides * Ac-Phe-D-Phe-NH2 dipeptides * correlated ab initio calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.732, year: 2010

  6. Environmental Remediation: Removal of polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Nkansah, Marian Asantewah

    2012-11-15

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous persistent semi-volatile organic compounds. They are contaminants that are resistant to degradation and can remain in the environment for long periods due to their high degree of conjugation, and aromaticity. PAHs are present in industrial effluents as products of incomplete combustion processes of organic compounds. Petroleum, coal and shale oil contain extremely complex mixtures of these PAHs, and their transport and refining process can also result in the release of PAHs. It is therefore prudent that such effluents are treated before discharge into the environment. In this project, different approaches to the treatment of PAHs have been investigated. Hydrous pyrolysis has been explored as a potential technique for degrading PAHs in water using anthracene as a model compound. The experiments were performed under different conditions of temperature, substrate, redox systems and durations. The conditions include oxidising systems comprising pure water, hydrogen peroxide and Nafion-SiO2 solid catalyst in water; and reducing systems of formic acid and formic acid / Nafion-SiO2 / Pd-C catalysts to assess a range of reactivities. Products observed in GCMS analysis of the extract from the water phase include anthrone, anthraquinone, xanthone and multiple hydro-anthracene derivatives (Paper I). In addition a modified version of the Nafion-SiO2 solid catalyst in water oxidising system was tested; and reducing systems of formic acid and formic acid / Nafion-SiO2 / Pd-C catalysts were adopted for the conversion of a mixture of anthracene, fluorene and fluoranthene. The rate of conversion in the mixture was high as compared to that of only anthracene (Paper II). Also the use of LECA (Lightweight expanded clay aggregates) as an adsorbent (Paper III) for PAHs (phenanthrene, fluoranthene and pyrene) removal from water has been.(Author)

  7. The future role of aromatics in refining and petrochemistry. Proceedings of the DGMK-Conference (Authors' manuscripts)

    Energy Technology Data Exchange (ETDEWEB)

    Emig, G.; Rupp, M.; Weitkamp, J. [eds.

    1999-07-01

    Topic of this conference has been the furure role of aromatics in the refinign industry. The articles deal with the following topics: Refining; legal aspects in the aromatics market; transportation fuels; dearomatization; catalytic reforming and aromatics; separation processes for aromatics; oxidation and ammoxidation of aromatics; electrophilic substitution of aromatics; hydrogenation of benzene; zeolites. (orig./sr)

  8. How non-conventional feedstocks will affect aromatics technologies

    Energy Technology Data Exchange (ETDEWEB)

    Koehler, E. [Clariant Produkte (Deutschland) GmbH, Muenchen (Germany)

    2013-11-01

    The abundance of non-conventional feedstocks such as coal and shale gas has begun to affect the availability of traditional base chemicals such as propylene and BTX aromatics. Although this trend is primarily fueled by the fast growing shale gas economy in the US and the abundance of coal in China, it will cause the global supply and demand situation to equilibrate across the regions. Lower demand for gasoline and consequently less aromatics rich reformate from refineries will further tighten the aromatics markets that are expected to grow at healthy rates, however. Refiners can benefit from this trend by abandoning their traditional fuel-oriented business model and becoming producers of petrochemical intermediates, with special focus on paraxylene (PX). Cheap gas from coal (via gasification) or shale reserves is an advantaged feedstock that offers a great platform to make aromatics in a cost-competitive manner, especially in regions where naphtha is in short supply. Gas condensates (LPG and naphtha) are good feedstocks for paraffin aromatization, and methanol from coal or (shale) gas can be directly converted to BTX aromatics (MTA) or alkylated with benzene or toluene to make paraxylene. Most of today's technologies for the production and upgrading of BTX aromatics and their derivatives make use of the unique properties of zeolites. (orig.)

  9. Aromatic hydrocarbon concentrations in sediments of Placentia Bay, Newfoundland

    International Nuclear Information System (INIS)

    Kiceniuk, J.W.

    1992-01-01

    A study was conducted to examine the potential for contamination of recent sediments with polycyclic aromatic hydrocarbons due to tanker and refinery activity in Placentia Bay, Newfoundland, an area without large local anthropogenic sources of aromatics. Sediment samples were taken from the vicinity of the Come By Chance refinery, Woody Island, Wild Cove, and Port Royal Arm, all in the north end of the bay. The samples were extracted by two methods, dichloromethane extraction of dried sediment for determination of total aromatic hydrocarbon content and hexane extraction of wet sediment for estimation of the bioavailability of hydrocarbons and determination of more volatile compounds. Class analysis of aromatic hydrocarbons was conducted on a NH 2 column with detection at 255 nm. Total concentrations of di-tricyclic aromatics were highest at the Woody Island site (0.6 μg/g). The sediments from the Come By Chance site, Wild Cove, and Port Royal Arm sediments contained 0.3, 0.1, and 0.2 μg/g respectively. The hexane extracts from Come By Chance were lowest in di-tricyclic aromatics (0.007 μg/g), with the other sites being equal in concentration (0.01 μg/g). It is evident from the study that aromatic hydrocarbon concentrations in Placentia Bay are elevated in some parts of the bay in the absence of local combustion sources, and that the most likely source is petroleum. 12 refs., 5 figs., 2 tabs

  10. Two-components UV-therapy

    International Nuclear Information System (INIS)

    Pullmann, H.; Steigleder, G.K.

    1980-01-01

    20 patients with generalized psoriasis were treated with an apparatus containing UV-A- and UV-B-fluorescence tubes to be switched separately. The therapy was started with an UV-A-dose of 12 J/cm 2 daily. After the first week of treatment UV-B in increasing doses was applicated additionally. Clearance was achieved in 80 percent. (orig.) [de

  11. Formation of polycyclic aromatic hydrocarbons by ionizing radiations

    International Nuclear Information System (INIS)

    Perez, G.; Lilia, E.; Cristalli, A.

    1986-01-01

    Gaseous 0-terphenyl, 1-phenylnaphthalene, and 9-phenylanthracene were submitted to gamma rays. The yields of cyclization products, polycyclic aromatic hydrocarbons, show that at least one twentieth of the intermediates formed undergo intramolecular reaction. (author)

  12. Aromatic Plants as a Source of Bioactive Compounds

    Directory of Open Access Journals (Sweden)

    Panagiota Florou-Paneri

    2012-09-01

    Full Text Available Aromatic plants, also known as herbs and spices, have been used since antiquity as folk medicine and as preservatives in foods. The best known aromatic plants, such as oregano, rosemary, sage, anise, basil, etc., originate from the Mediterranean area. They contain many biologically active compounds, mainly polyphenolics, which have been found to possess antimicrobial, antioxidant, antiparasitic, antiprotozoal, antifungal, and anti-inflammatory properties. Currently, the demand for these plants and their derivatives has increased because they are natural, eco-friendly and generally recognized as safe products. Therefore, aromatic plants and their extracts have the potential to become new generation substances for human and animal nutrition and health. The purpose of this review is to provide an overview of the literature surrounding the in vivo and in vitro use of aromatic plants.

  13. Distribution of polycyclic aromatic hydrocarbons in rural agricultural ...

    African Journals Online (AJOL)

    AJB SERVER

    African Journal of Biotechnology Vol. 5 (15), pp. 1415-1421, 3 August 2006 ... Polycyclic aromatic hydrocarbons (PAHs) are a group of chemicals that are formed during ... site for refinery process wastes, which has been operated since 1958 ...

  14. Extraction of Aromatics from Heavy Naphtha Using Different Solvents

    International Nuclear Information System (INIS)

    EI-Bassuoni, A.A.; Esmael, K.K.

    2004-01-01

    Aromatic hydrocarbons are very important to the petrochemical industry. Among these are benzene, toluene and xylene (BTX), which are basic raw materials for the production of a number of important petrochemicals. There are many processes used to separate aromatic from non aromatic such as fractionation, azeotropic distillation and liquid I liquid extraction, etc. Liquid - liquid extraction is unique, efficiently used for heat sensitive, close boiling components and for separation of components not possible by other unit operations and it could be done at ambient temperature makes it more energy efficient. The choice of solvent depends on the properties and boiling range of the feedstock. Through the years, a lot of selective solvents has been proposed and selected for the physical separation of aromatics in liquid liquid extraction. Among the selection criteria are the stability,. chemical compatibility, availability, environmental hazards and price of the solvent. But the basic solvent properties that make it efficient are selectivity and capacity

  15. Critical point measurement of some polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Nikitin, Eugene D.; Popov, Alexander P.

    2015-01-01

    Highlights: • Critical properties of five polycyclic aromatic hydrocarbons were measured. • These hydrocarbons decompose at near-critical temperatures. • Pulse-heating method with short residence times was used. - Abstract: The critical temperatures and the critical pressures of five polycyclic aromatic compounds, namely, acenaphthene, fluorene, anthracene, phenanthrene, and pyrene have been measured. All the compounds studied decompose at near-critical temperatures. A pulse-heating technique applicable to measuring the critical properties of thermally unstable compounds has been used. The times from the beginning of a heating pulse to the moment of reaching the critical temperature were from (0.06 to 0.85) ms. The short residence times provide little degradation of the substances in the course of the experiments. The experimental critical parameters of the polycyclic aromatic compounds have been compared with those estimated by five predictive methods. The acentric factors of polycyclic aromatic compounds studied have been calculated

  16. Porphyrins Fused with Unactivated Polycyclic Aromatic Hydrocarbons

    KAUST Repository

    Diev, Vyacheslav V.; Schlenker, Cody W.; Hanson, Kenneth; Zhong, Qiwen; Zimmerman, Jeramy D.; Forrest, Stephen R.; Thompson, Mark E.

    2012-01-01

    A systematic study of the preparation of porphyrins with extended conjugation by meso,β-fusion with polycyclic aromatic hydrocarbons (PAHs) is reported. The meso-positions of 5,15-unsubstituted porphyrins were readily functionalized with PAHs. Ring fusion using standard Scholl reaction conditions (FeCl 3, dichloromethane) occurs for perylene-substituted porphyrins to give a porphyrin β,meso annulated with perylene rings (0.7:1 ratio of syn and anti isomers). The naphthalene, pyrene, and coronene derivatives do not react under Scholl conditions but are fused using thermal cyclodehydrogenation at high temperatures, giving mixtures of syn and anti isomers of the meso,β-fused porphyrins. For pyrenyl-substituted porphyrins, a thermal method gives synthetically acceptable yields (>30%). Absorption spectra of the fused porphyrins undergo a progressive bathochromic shift in a series of naphthyl (λ max = 730 nm), coronenyl (λ max = 780 nm), pyrenyl (λ max = 815 nm), and perylenyl (λ max = 900 nm) annulated porphyrins. Despite being conjugated with unsubstituted fused PAHs, the β,meso-fused porphyrins are more soluble and processable than the parent nonfused precursors. Pyrenyl-fused porphyrins exhibit strong fluorescence in the near-infrared (NIR) spectral region, with a progressive improvement in luminescent efficiency (up to 13% with λ max = 829 nm) with increasing degree of fusion. Fused pyrenyl-porphyrins have been used as broadband absorption donor materials in photovoltaic cells, leading to devices that show comparatively high photovoltaic efficiencies. © 2011 American Chemical Society.

  17. Photoacoustic spectroscopic studies of polycyclic aromatic hydrocarbons

    Science.gov (United States)

    Zaidi, Zahid H.; Kumar, Pardeep; Garg, R. K.

    1999-02-01

    Because of their involvement in environmental pollutants, in carcinogenic activity, plastics, pharmaceuticals, synthesis of some laser dyes and presence in interstellar space etc., Polycyclic aromatic hydrocarbons (PAHs) are important. As their structure and properties can be varied systematically, they form a beautiful class of molecules for experimental and quantum chemical investigations. These molecules are being studied for last several years by using conventional spectroscopy. In recent years, Photoacoustic (PA) spectroscopy has emerged as a new non-destructive technique with unique capability and sensitivity. The PA effect is the process of generation of acoustic waves in a sample resulting from the absorption of photons. This technique not only reveals non- radiative transitions but also provides information about forbidden singlet-triplet transitions which are not observed normally by the conventional spectroscopy. The present paper deals with the spectroscopic studies of some PAH molecules by PA spectroscopy in the region 250 - 400 nm. The CNDO/S-CI method is used to calculate the electronic transitions with the optimized geometries. A good agreement is found between the experimental and calculated results.

  18. Porphyrins Fused with Unactivated Polycyclic Aromatic Hydrocarbons

    KAUST Repository

    Diev, Vyacheslav V.

    2012-01-06

    A systematic study of the preparation of porphyrins with extended conjugation by meso,β-fusion with polycyclic aromatic hydrocarbons (PAHs) is reported. The meso-positions of 5,15-unsubstituted porphyrins were readily functionalized with PAHs. Ring fusion using standard Scholl reaction conditions (FeCl 3, dichloromethane) occurs for perylene-substituted porphyrins to give a porphyrin β,meso annulated with perylene rings (0.7:1 ratio of syn and anti isomers). The naphthalene, pyrene, and coronene derivatives do not react under Scholl conditions but are fused using thermal cyclodehydrogenation at high temperatures, giving mixtures of syn and anti isomers of the meso,β-fused porphyrins. For pyrenyl-substituted porphyrins, a thermal method gives synthetically acceptable yields (>30%). Absorption spectra of the fused porphyrins undergo a progressive bathochromic shift in a series of naphthyl (λ max = 730 nm), coronenyl (λ max = 780 nm), pyrenyl (λ max = 815 nm), and perylenyl (λ max = 900 nm) annulated porphyrins. Despite being conjugated with unsubstituted fused PAHs, the β,meso-fused porphyrins are more soluble and processable than the parent nonfused precursors. Pyrenyl-fused porphyrins exhibit strong fluorescence in the near-infrared (NIR) spectral region, with a progressive improvement in luminescent efficiency (up to 13% with λ max = 829 nm) with increasing degree of fusion. Fused pyrenyl-porphyrins have been used as broadband absorption donor materials in photovoltaic cells, leading to devices that show comparatively high photovoltaic efficiencies. © 2011 American Chemical Society.

  19. A new strategy for aromatic ring alkylation in cylindrocyclophane biosynthesis.

    Science.gov (United States)

    Nakamura, Hitomi; Schultz, Erica E; Balskus, Emily P

    2017-08-01

    Alkylation of aromatic rings with alkyl halides is an important transformation in organic synthesis, yet an enzymatic equivalent is unknown. Here, we report that cylindrocyclophane biosynthesis in Cylindrospermum licheniforme ATCC 29412 involves chlorination of an unactivated carbon center by a novel halogenase, followed by a previously uncharacterized enzymatic dimerization reaction featuring sequential, stereospecific alkylations of resorcinol aromatic rings. Discovery of the enzymatic machinery underlying this unique biosynthetic carbon-carbon bond formation has implications for biocatalysis and metabolic engineering.

  20. Analogs of solid nanoparticles as precursors of aromatic hydrocarbons

    Science.gov (United States)

    Gadallah, K. A. K.; Mutschke, H.; Jäger, C.

    2013-06-01

    Context. Aromatic =CH and C=C vibrational bands have been observed within shocked interstellar regions, indicating the presence of aromatic emission carriers such as PAHs, which may have been created from adjacent molecular cloud material by interaction with a shock front. Aims: We investigate the evolution of the aromatic =CH and C=C vibrational modes at 3.3 and 6.2 μm wavelength in heated HAC materials, PAHs and mixed PAHs and HACs, respectively, aiming at an explanation of the evolution of carbonaceous dust grains in the shocked regions. Methods: Materials used in these analogs (HAC and PAH materials) were prepared by the laser ablation and the laser pyrolysis methods, respectively. The transmission electron microscopy (TEM) in high-resolution mode was used as an analytical technique to characterize the aromatic layers in HACs. Spectroscopic analysis was prformed in the mid-IR range. Results: A remarkable destruction of aliphatic structures in HACs has been observed with the thermal processing, while aromatic structures become dominating by increasing the diameters of the graphene layers. The aromatic bands at 3.3 and 6.2 μm, observed in the laboratory spectra of PAHs and of the combination of the PAHs and HAC materials, are also clearly observed in the spectrum of the heated HACs. These bands agree with those of aromatic bands observed in astronomical observations. Conclusions: Aromatization of HACs could be a pre-stage in the decomposition process of hydrocarbons that form PAH-clusters in such hot interstellar medium.

  1. Aromatic VOCs global influence in the ozone production

    Science.gov (United States)

    Cabrera-Perez, David; Pozzer, Andrea

    2016-04-01

    Aromatic hydrocarbons are a subgroup of Volatile Organic Compounds (VOCs) of special interest in the atmosphere of urban and semi-urban areas. Aromatics form a high fraction of VOCs, are highly reactive and upon oxidation they are an important source of ozone. These group of VOCs are released to the atmosphere by processes related to biomass burning and fossil fuel consumption, while they are removed from the atmosphere primarily by OH reaction and by dry deposition. In addition, a branch of aromatics (ortho-nitrophenols) produce HONO upon photolysis, which is responsible of certain amount of the OH recycling. Despite their importance in the atmosphere in anthropogenic polluted areas, the influence of aromatics in the ozone production remains largely unknown. This is of particular relevance, being ozone a pollutant with severe side effects on air quality, health and climate. In this work the atmospheric impacts at global scale of the most emitted aromatic VOCs in the gas phase (benzene, toluene, xylenes, ethylbenzene, styrene, phenol, benzaldehyde and trimethylbenzenes) are analysed and assessed. Specifically, the impact on ozone due to aromatic oxidation is estimated, as this is of great interest in large urban areas and can be helpful for developing air pollution control strategies. Further targets are the quantification of the NOx loss and the OH recycling due to aromatic oxidation. In order to investigate these processes, two simulations were performed with the numerical chemistry and climate simulation ECHAM/MESSy Atmospheric Chemistry (EMAC) model. The simulations compare two cases, one with ozone concentrations when aromatics are present or the second one when they are missing. Finally, model simulated ozone is compared against a global set of observations in order to better constrain the model accuracy.

  2. Substrate specificity of flavin-dependent vanillyl-alcohol oxidase from Penicillium simplicissimum.Evidence for the production of 4-hydroxycinnamyl alcohols from 4-allylphenols

    NARCIS (Netherlands)

    Fraaije, Marco W.; Veeger, Cees; Berkel, Willem J.H. van

    1995-01-01

    The substrate specificity of the flavoprotein vanillyl-alcohol oxidase from Penicillium simplicissimum was investigated. Vanillyl-alcohol oxidase catalyzes besides the oxidation of 4-hydroxybenzyl alcohols, the oxidative deamination of 4-hydroxybenzylamines and the oxidative demethylation of

  3. Substrate specificity of flavin-dependent vanillyl-alcohol oxidase from Penicillium simplicissimum. Evidence for the production of 4-hydroxycinnamyl alcohols from 4-allylphenols.

    Science.gov (United States)

    Fraaije, M W; Veeger, C; van Berkel, W J

    1995-11-15

    The substrate specificity of the flavoprotein vanillyl-alcohol oxidase from Penicillium simplicissimum was investigated. Vanillyl-alcohol oxidase catalyzes besides the oxidation of 4-hydroxybenzyl alcohols, the oxidative deamination of 4-hydroxybenzylamines and the oxidative demethylation of 4-(methoxymethyl)phenols. During the conversion of vanillylamine to vanillin, a transient intermediate, most probably vanillylimine, is observed. Vanillyl-alcohol oxidase weakly interacts with 4-hydroxyphenylglycols and a series of catecholamines. These compounds are converted to the corresponding ketones. Both enantiomers of (nor)epinephrine are substrates for vanillyl-alcohol oxidase, but the R isomer is preferred. Vanillyl-alcohol oxidase is most active with chavicol and eugenol. These 4-allylphenols are converted to coumaryl alcohol and coniferyl alcohol, respectively. Isotopic labeling experiments show that the oxygen atom inserted at the C gamma atom of the side chain is derived from water. The 4-hydroxycinnamyl alcohol products and the substrate analog isoeugenol are competitive inhibitors of vanillyl alcohol oxidation. The binding of isoeugenol to the oxidized enzyme perturbs the optical spectrum of protein-bound FAD. pH-dependent binding studies suggest that vanillyl-alcohol oxidase preferentially binds the phenolate form of isoeugenol (pKa < 6, 25 degrees C). From this and the high pH optimum for turnover, a hydride transfer mechanism involving a p-quinone methide intermediate is proposed for the vanillyl-alcohol-oxidase-catalyzed conversion of 4-allylphenols.

  4. Substrate specificity of flavin-dependent vanillyl-alcohol oxidase from Penicillium simplicissimum.Evidence for the production of 4-hydroxycinnamyl alcohols from 4-allylphenols

    OpenAIRE

    Fraaije, Marco W.; Veeger, Cees; Berkel, Willem J.H. van

    1995-01-01

    The substrate specificity of the flavoprotein vanillyl-alcohol oxidase from Penicillium simplicissimum was investigated. Vanillyl-alcohol oxidase catalyzes besides the oxidation of 4-hydroxybenzyl alcohols, the oxidative deamination of 4-hydroxybenzylamines and the oxidative demethylation of 4-(methoxymethyl)phenols. During the conversion of vanillylamine to vanillin, a transient intermediate, most probably vanillylimine, is observed. Vanillyl-alcohol oxidase weakly interacts with 4-hydroxyph...

  5. Bio-Based Aromatic Epoxy Monomers for Thermoset Materials

    Directory of Open Access Journals (Sweden)

    Feifei Ng

    2017-01-01

    Full Text Available The synthesis of polymers from renewable resources is a burning issue that is actively investigated. Polyepoxide networks constitute a major class of thermosetting polymers and are extensively used as coatings, electronic materials, adhesives. Owing to their outstanding mechanical and electrical properties, chemical resistance, adhesion, and minimal shrinkage after curing, they are used in structural applications as well. Most of these thermosets are industrially manufactured from bisphenol A (BPA, a substance that was initially synthesized as a chemical estrogen. The awareness on BPA toxicity combined with the limited availability and volatile cost of fossil resources and the non-recyclability of thermosets implies necessary changes in the field of epoxy networks. Thus, substitution of BPA has witnessed an increasing number of studies both from the academic and industrial sides. This review proposes to give an overview of the reported aromatic multifunctional epoxide building blocks synthesized from biomass or from molecules that could be obtained from transformed biomass. After a reminder of the main glycidylation routes and mechanisms and the recent knowledge on BPA toxicity and legal issues, this review will provide a brief description of the main natural sources of aromatic molecules. The different epoxy prepolymers will then be organized from simple, mono-aromatic di-epoxy, to mono-aromatic poly-epoxy, to di-aromatic di-epoxy compounds, and finally to derivatives possessing numerous aromatic rings and epoxy groups.

  6. Protonation sites of aromatic compounds in (+) atmospheric pressure photoionization

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sung Hwan; Ahmed, Arif [Dept. of Chemistry, Kyungpoo k National University, Daegu (Korea, Republic of)

    2017-02-15

    Reaction enthalpy of hydrogen transfer reactions of aromatic compounds has been observed to be greatly affected by the exact location of the protonation site. Therefore, to clearly identify the protonation location, each candidate protonation site for 43 aromatic compounds were theoretically determined and their location was compared with that determined based on experimental MS data. Only the basic nitrogen atom is favorable as a protonation site for pyridine-type aromatic compounds, whereas carbon atoms are preferable for the protonation of pyrrole-type compounds. The most favorable protonation sites for aniline or methylated aniline-type aromatic compounds are either the nitrogen atom in the amine group or the carbon atom at the para-position to the amine group. Like pyrrole-type compounds, aromatic compounds with amine groups also favor protonation at the carbon atom instead of at the nitrogen atom. In addition, hydrocarbons having an anthracene structural motif without heteroatoms produced higher or equal percentages of protonated ions compared to that achieved with molecular ions. The results of this study can be used to improve the analyses of aromatic compounds.

  7. The formation of aromatics and PAH's in laminar flames

    International Nuclear Information System (INIS)

    Marinov, N M; Pitz, W J; Westbrook, C K

    1999-01-01

    The formation of aromatics and PAH's is an important problem in combustion. These compounds are believed to contribute to the formation of soot whose emission from diesel engines is regulated widely throughout the industrial world. Additionally, the United States Environmental Protection Agency regulates the emission of many aromatics and PAH species from stationary industrial burners, under the 1990 Clean Air Act Amendments. The above emission regulations have created much interest in understanding how these species are formed in combustion systems. Much previous work has been done on aromatics and PAH's. The work is too extensive to review here, but is reviewed in Reference 1. A few recent developments are highlighted here. McEnally, Pfefferle and coworkers have studied aromatic, PAH and soot formation in a variety of non-premixed flames with hydrocarbon additives[2-4]. They found additives that contain a C5 ring increase the concentration of aromatics and soot[4]. Howard and coworkers have studied the formation of aromatic and PAH's in low pressure, premixed, laminar hydrocarbon flames. They found the cyclopentadienyl radical to be a key species in naphthalene formation in a fuel-rich, benzene/Ar/O2 flame[5

  8. Aromatization of n-octane over Pd/C catalysts

    KAUST Repository

    Yin, Mengchen; Natelson, Robert H.; Campos, Andrew A.; Kolar, Praveen; Roberts, William L.

    2013-01-01

    Gas-phase aromatization of n-octane was investigated using Pd/C catalyst. The objectives were to: (1) determine the effects of temperature (400-600 °C), weight hourly space velocity (WHSV) (0.8-∞), and hydrogen to hydrocarbon molar ratio (MR) (0-6) on conversion, selectivity, and yield (2) compare the activity of Pd/C with Pt/C and Pt/KL catalysts and (3) test the suitability of Pd/C for aromatization of different alkanes including n-hexane, n-heptane, and n-octane. Pd/C exhibited the best aromatization performance, including 54.4% conversion and 31.5% aromatics yield at 500 °C, WHSV = 2 h-1, and a MR of 2. The Pd/C catalyst had higher selectivity towards the preferred aromatics including ethylbenzene and xylenes, whereas Pt/KL had higher selectivity towards benzene and toluene. The results were somewhat consistent with adsorbed n-octane cyclization proceeding mainly through the six-membered ring closure mechanism. In addition, Pd/C was also capable of catalyzing aromatization of n-hexane and n-heptane. © 2012 Elsevier Ltd. All rights reserved.

  9. Evaluation of the H-point standard additions method (HPSAM) and the generalized H-point standard additions method (GHPSAM) for the UV-analysis of two-component mixtures.

    Science.gov (United States)

    Hund, E; Massart, D L; Smeyers-Verbeke, J

    1999-10-01

    The H-point standard additions method (HPSAM) and two versions of the generalized H-point standard additions method (GHPSAM) are evaluated for the UV-analysis of two-component mixtures. Synthetic mixtures of anhydrous caffeine and phenazone as well as of atovaquone and proguanil hydrochloride were used. Furthermore, the method was applied to pharmaceutical formulations that contain these compounds as active drug substances. This paper shows both the difficulties that are related to the methods and the conditions by which acceptable results can be obtained.

  10. Polycyclic aromatic hydrocarbons and nitropolycyclic aromatic hydrocarbons in particulates emitted by motorcycles

    International Nuclear Information System (INIS)

    Pham, Chau Thuy; Kameda, Takayuki; Toriba, Akira; Hayakawa, Kazuichi

    2013-01-01

    We determined eleven PAHs and four NPAHs in particulates and regulated pollutants (CO, CO 2 , HC, NO x , PM) exhausted from motorcycles to figure out the characteristics of motorcycle exhausts. Fluoranthene and pyrene accounted for more than 50% of the total detected PAHs. Among four detected NPAHs, 6-nitrochrysene and 7-nitrobenz[a]anthracene were the predominant NPAHs and were highly correlated relationship with their parent PAHs (R = 0.93 and 0.97, respectively). The PM and HC emissions tended to be close to the PAH emissions. NO x and NPAHs were negatively correlated. Despite their small engine size, motorcycles emitted much more PM and PAHs, showed stronger PAH-related carcinogenicity and indirect-acting mutagenicity, but weaker NPAH-related direct-acting mutagenic potency than automobiles. This is the first study to analyze both PAHs and NPAHs emitted by motorcycles, which could provide useful information to design the emission regulations and standards for motorcycles such as PM. -- Highlights: ► We characterized PAHs and NPAHs distribution in motorcycle exhausts. ► NPAHs concentrations were about three orders of magnitude lower than those of PAHs. ► We found larger amounts of PM and PAHs in exhaust of motorcycles than of automobiles. ► Motorcycles showed stronger PAH-related toxicity than automobiles. ► Motorcycles showed weaker NPAH-related direct-acting mutagenicity than automobiles. -- Control polycyclic aromatic hydrocarbons and nitropolycyclic aromatic hydrocarbon in particulates emitted by motorcycles due to their toxic potency

  11. Determination of aromatic and PAH (polycyclic aromatic hydrocarbons) content of oily wastewaters

    Energy Technology Data Exchange (ETDEWEB)

    Lysyj, I.; Russell, E.C.

    1978-08-01

    An analytical scheme was developed for determining the total organic content and hydrocarbon concentration from a one-liter portion of a wastewater sample, and determining the volatile, suspended, and water-soluble fractions from a second, two-liter portion. Analyses of untreated and treated bilge wastewater from the U.S. Army Fort Eustis, Va., facility showed 10-300 ppm suspended organics and 10-300 ppm dissolved organics in the untreated bilge, and no suspended matter, but 700-2000 ppm dissolved organics, in the treated bilge wastewaters. Of the dissolved organics in untreated and treated wastewater, 70 and 10%, respectively, were extracted with chloroform; the organics in the treated water were probably biologically derived from petroleum degradation. Gas chromatographic/mass spectroscopic and high-pressure liquid chromatographic analyses of the chloroform extracts showed about equal parts of phenolic compounds and aromatic hydrocarbons, small amounts of heterocyclics, and traces of polycyclic aromatics in the untreated wastewater, and mainly phenolics in the treated water.

  12. Arginine-aromatic interactions and their effects on arginine-induced solubilization of aromatic solutes and suppression of protein aggregation

    KAUST Repository

    Shah, Dhawal; Li, Jianguo; Shaikh, Abdul Rajjak; Rajagopalan, Raj

    2011-01-01

    We examine the interaction of aromatic residues of proteins with arginine, an additive commonly used to suppress protein aggregation, using experiments and molecular dynamics simulations. An aromatic-rich peptide, FFYTP (a segment of insulin), and lysozyme and insulin are used as model systems. Mass spectrometry shows that arginine increases the solubility of FFYTP by binding to the peptide, with the simulations revealing the predominant association of arginine to be with the aromatic residues. The calculations further show a positive preferential interaction coefficient, Γ XP, contrary to conventional thinking that positive Γ XP's indicate aggregation rather than suppression of aggregation. Simulations with lysozyme and insulin also show arginine's preference for aromatic residues, in addition to acidic residues. We use these observations and earlier results reported by us and others to discuss the possible implications of arginine's interactions with aromatic residues on the solubilization of aromatic moieties and proteins. Our results also highlight the fact that explanations based purely on Γ XP, which measures average affinity of an additive to a protein, could obscure or misinterpret the underlying molecular mechanisms behind additive-induced suppression of protein aggregation. © 2011 American Institute of Chemical Engineers (AIChE).

  13. Arginine-aromatic interactions and their effects on arginine-induced solubilization of aromatic solutes and suppression of protein aggregation

    KAUST Repository

    Shah, Dhawal

    2011-09-21

    We examine the interaction of aromatic residues of proteins with arginine, an additive commonly used to suppress protein aggregation, using experiments and molecular dynamics simulations. An aromatic-rich peptide, FFYTP (a segment of insulin), and lysozyme and insulin are used as model systems. Mass spectrometry shows that arginine increases the solubility of FFYTP by binding to the peptide, with the simulations revealing the predominant association of arginine to be with the aromatic residues. The calculations further show a positive preferential interaction coefficient, Γ XP, contrary to conventional thinking that positive Γ XP\\'s indicate aggregation rather than suppression of aggregation. Simulations with lysozyme and insulin also show arginine\\'s preference for aromatic residues, in addition to acidic residues. We use these observations and earlier results reported by us and others to discuss the possible implications of arginine\\'s interactions with aromatic residues on the solubilization of aromatic moieties and proteins. Our results also highlight the fact that explanations based purely on Γ XP, which measures average affinity of an additive to a protein, could obscure or misinterpret the underlying molecular mechanisms behind additive-induced suppression of protein aggregation. © 2011 American Institute of Chemical Engineers (AIChE).

  14. Alkyne Benzannulation Reactions for the Synthesis of Novel Aromatic Architectures.

    Science.gov (United States)

    Hein, Samuel J; Lehnherr, Dan; Arslan, Hasan; J Uribe-Romo, Fernando; Dichtel, William R

    2017-11-21

    Aromatic compounds and polymers are integrated into organic field effect transistors, light-emitting diodes, photovoltaic devices, and redox-flow batteries. These compounds and materials feature increasingly complex designs, and substituents influence energy levels, bandgaps, solution conformation, and crystal packing, all of which impact performance. However, many polycyclic aromatic hydrocarbons of interest are difficult to prepare because their substitution patterns lie outside the scope of current synthetic methods, as strategies for functionalizing benzene are often unselective when applied to naphthalene or larger systems. For example, cross-coupling and nucleophilic aromatic substitution reactions rely on prefunctionalized arenes, and even directed metalation methods most often modify positions near Lewis basic sites. Similarly, electrophilic aromatic substitutions access single regioisomers under substrate control. Cycloadditions provide a convergent route to densely functionalized aromatic compounds that compliment the above methods. After surveying cycloaddition reactions that might be used to modify the conjugated backbone of poly(phenylene ethynylene)s, we discovered that the Asao-Yamamoto benzannulation reaction is notably efficient. Although this reaction had been reported a decade earlier, its scope and usefulness for synthesizing complex aromatic systems had been under-recognized. This benzannulation reaction combines substituted 2-(phenylethynyl)benzaldehydes and substituted alkynes to form 2,3-substituted naphthalenes. The reaction tolerates a variety of sterically congested alkynes, making it well-suited for accessing poly- and oligo(ortho-arylene)s and contorted hexabenzocoronenes. In many cases in which asymmetric benzaldehyde and alkyne cycloaddition partners are used, the reaction is regiospecific based on the electronic character of the alkyne substrate. Recognizing these desirable features, we broadened the substrate scope to include silyl

  15. Determination of polycyclic aromatic hydrocarbons in airborne

    International Nuclear Information System (INIS)

    Pachon Q, Jorge; Garcia L, Hector; Bustos L, Martha; Bravo A, Humberto; Sosa E, Rodolfo

    2004-01-01

    Rainfall polycyclic aromatic hydrocarbons (PAH) concentrations were determined in particulate matter with a <10 mm aerodynamic diameter (PM10) in three industrial municipalities of the metropolitan zone of Bogota City (MZBC). The 12 samples of greatest concentration of PM10 collected between 2001 and 2002 at the stations of atmospheric monitoring of Cundinamarca secretary of health (SSC), in the municipalities of Soacha, Sibate and Cajica, were analyzed. The results were correlated with emissions in the area, by means of emission factors and environmental agencies information. The particulate matter results for the analyzed period show concentrations that exceed the air quality standard of the US environmental protection agency EPA on several occasions at the Soacha municipality, whereas the air quality in the Sibate and Cajica municipalities did not show that to be the case. Despite the reduced number of samples and sampling sites, we believe that the reported profiles can be considered a valid estimation of the average air quality of the MZBC. The identified PAH species were: phenanthrene(Phe), anthracene(Ant), fluoranthene(Fla), pyrene(Pyr), benzo(a)anthracene (Baa), chrysene(chr), benzo(ghi)perylene(BgP) and indeno(1,2,3-cd)pyrene(Ind). It was not possible to quantify naphthalene (Nap), acenaphthy-lene(Acy), acenaphthene(Ace), nor fluorene(Flu), being light and volatile hydrocarbons with greater presence in the gaseous phase of the air. The correlation of PAH with source emissions shows mobile sources to be the main origin. The intervals of concentration of both individual PAH and the total species were similar to the ones usually found in other industrial zones of the world. PAHs correlations allowed pinpointing common emission sources between Soacha and Sibate municipalities

  16. Polycyclic Aromatic Hydrocarbons in Fine Particulate Matter ...

    Science.gov (United States)

    This study measured polycyclic aromatic hydrocarbon (PAH) composition in particulate matter emissions from residential cookstoves. A variety of fuel and cookstove combinations were examined, including: (i) liquid petroleum gas (LPG), (ii) kerosene in a wick stove, (iii) wood (10% and 30% moisture content on a wet basis) in a forced-draft fan stove, and (iv) wood in a natural-draft rocket cookstove. LPG combustion had the highest thermal efficiency (~57%) and the lowest PAH emissions per unit fuel energy, resulting in the lowest PAH emissions per useful energy delivered (MJd). The average benzo[a]pyrene (B[a]P) emission factor for LPG was 0.842 µg/MJd; the emission rate was 0.043 µg/min. The highest PAH emissions were from wood burning in the natural-draft stove (209-700 µg B[a]P/MJd). PAH emissions from kerosene were significantly lower than those from the wood burning in the natural-draft cookstove, but higher than those from LPG. It is expected that in rural regions where LPG and kerosene are unavailable or unaffordable, the forced-draft fan stove may be an alternative because its emission factor (5.17-8.07 µg B[a]P/MJd) and emission rate (0.52-0.57 µg/min) are similar to kerosene (5.36 µg B[a]P/MJd and 0.45 µg/min). Compared with wood combustion emissions, LPG stoves emit less total PAH emissions and less fractions of high molecular weight PAHs. Relatively large variations in PAH emissions from LPG call for additional future tests to identify the major

  17. Characterization of the CrbS/R Two-Component System in Pseudomonas fluorescens Reveals a New Set of Genes under Its Control and a DNA Motif Required for CrbR-Mediated Transcriptional Activation

    Directory of Open Access Journals (Sweden)

    Edgardo Sepulveda

    2017-11-01

    Full Text Available The CrbS/R system is a two-component signal transduction system that regulates acetate utilization in Vibrio cholerae, P. aeruginosa, and P. entomophila. CrbS is a hybrid histidine kinase that belongs to a recently identified family, in which the signaling domain is fused to an SLC5 solute symporter domain through aSTAC domain. Upon activation by CrbS, CrbR activates transcription of the acs gene, which encodes an acetyl-CoA synthase (ACS, and the actP gene, which encodes an acetate/solute symporter. In this work, we characterized the CrbS/R system in Pseudomonas fluorescens SBW25. Through the quantitative proteome analysis of different mutants, we were able to identify a new set of genes under its control, which play an important role during growth on acetate. These results led us to the identification of a conserved DNA motif in the putative promoter region of acetate-utilization genes in the Gammaproteobacteria that is essential for the CrbR-mediated transcriptional activation of genes under acetate-utilizing conditions. Finally, we took advantage of the existence of a second SLC5-containing two-component signal transduction system in P. fluorescens, CbrA/B, to demonstrate that the activation of the response regulator by the histidine kinase is not dependent on substrate transport through the SLC5 domain.

  18. Global simulation of aromatic volatile organic compounds in the atmosphere

    Science.gov (United States)

    Cabrera Perez, David; Taraborrelli, Domenico; Pozzer, Andrea

    2015-04-01

    Among the large number of chemical compounds in the atmosphere, the organic group plays a key role in the tropospheric chemistry. Specifically the subgroup called aromatics is of great interest. Aromatics are the predominant trace gases in urban areas due to high emissions, primarily by vehicle exhausts and fuel evaporation. They are also present in areas where biofuel is used (i.e residential wood burning). Emissions of aromatic compounds are a substantial fraction of the total emissions of the volatile organic compounds (VOC). Impact of aromatics on human health is very important, as they do not only contribute to the ozone formation in the urban environment, but they are also highly toxic themselves, especially in the case of benzene which is able to trigger a range of illness under long exposure, and of nitro-phenols which cause detrimental for humans and vegetation even at very low concentrations. The aim of this work is to assess the atmospheric impacts of aromatic compounds on the global scale. The main goals are: lifetime and budget estimation, mixing ratios distribution, net effect on ozone production and OH loss for the most emitted aromatic compounds (benzene, toluene, xylenes, ethylbenzene, styrene and trimethylbenzenes). For this purpose, we use the numerical chemistry and climate simulation ECHAM/MESSy Atmospheric Chemistry (EMAC) model to build the global atmospheric budget for the most emitted and predominant aromatic compounds in the atmosphere. A set of emissions was prepared in order to include biomass burning, vegetation and anthropogenic sources of aromatics into the model. A chemical mechanism based on the Master Chemical Mechanism (MCM) was developed to describe the chemical oxidation in the gas phase of these aromatic compounds. MCM have been reduced in terms of number of chemical equation and species in order to make it affordable in a 3D model. Additionally other features have been added, for instance the production of HONO via ortho

  19. Degradation of aromatic compounds in plants grown under aseptic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Mithaishvili, T.; Ugrekhelidze, D.; Tsereteli, B.; Sadunishvili, T.; Kvesitadze, G. [Durmishidze Inst. of Biochemistry and Biotechnology, Academy of Sciences of Georgia, Tbilisi (Georgia); Scalla, R. [Lab. des Xenobiotiques, INRA, Toulouse (France)

    2005-02-01

    The aim of the work is to investigate the ability of higher plants to absorb and detoxify environmental pollutants - aromatic compounds via aromatic ring cleavage. Transformation of {sup 14}C specifically labelled benzene derivatives, [1-6-{sup 14}C]-nitrobenzene, [1-6-{sup 14}C]-aniline, [1-{sup 14}C]- and [7-{sup 14}C]-benzoic acid, in axenic seedlings of maize (Zea mays L.), kidney bean (Phaseolus vulgaris L.), pea (Pisum sativum L.) and pumpkin (Cucurbita pepo L.) were studied. After penetration in plants, the above xenobiotics are transformed by oxidative or reductive reactions, conjugation with cell endogenous compounds, and binding to biopolymers. The initial stage of oxidative degradation consists in hydroxylation reactions. The aromatic ring can then be cleaved and degraded into organic acids of the Krebs cycle. Ring cleavage is accompanied by {sup 14}CO{sub 2} evolution. Aromatic ring cleavage in plants has thus been demonstrated for different xenobiotics carrying different substitutions on their benzene ring. Conjugation with low molecular peptides is the main pathway of aromatic xenobiotics detoxification. Peptide conjugates are formed both by the initial xenobiotics (except nitrobenzene) and by intermediate transformation products. The chemical nature of the radioactive fragment and the amino acid composition of peptides participating in conjugation were identified. (orig.)

  20. The mutagenic potential of high flash aromatic naphtha.

    Science.gov (United States)

    Schreiner, C A; Edwards, D A; McKee, R H; Swanson, M; Wong, Z A; Schmitt, S; Beatty, P

    1989-06-01

    Catalytic reforming is a refining process that converts naphthenes to aromatics by dehydrogenation to make higher octane gasoline blending components. A portion of this wide boiling range hydrocarbon stream can be separated by distillation and used for other purposes. One such application is a mixture of predominantly 9-carbon aromatic molecules (C9 aromatics, primarily isomers of ethyltoluene and trimethylbenzene), which is removed and used as a solvent--high-flash aromatic naphtha. A program was initiated to assess the toxicological properties of high-flash aromatic naphtha since there may be human exposure through inhalation or external body contact. The current study was conducted partly to assess the potential for mutagenic activity and also to assist in an assessment of carcinogenic potential. The specific tests utilized included the Salmonella/mammalian microsome mutagenicity assay, the hypoxanthine-guanine phosphoribosyl transferase (HGPRT) forward mutation assay in CHO cells, in vitro chromosome aberration and sister chromatid exchange (SCE) assays in CHO cells, and an in vivo chromosome aberration assay in rat bone marrow.

  1. Oxidative decomposition of aromatic hydrocarbons by electron beam irradiation

    Science.gov (United States)

    Han, Do-Hung; Stuchinskaya, Tatiana; Won, Yang-Soo; Park, Wan-Sik; Lim, Jae-Kyong

    2003-05-01

    Decomposition of aromatic volatile organic compounds (VOCs) under electron beam irradiation was studied in order to examine the kinetics of the process, to characterize the reaction product distribution and to develop a process of waste gas control technology. Toluene, ethylbenzene, o-, m-, p-xylenes and chlorobenzene were used as target materials. The experiments were carried out at doses ranging from 0.5 to 10 kGy, using a flow reactor utilized under electron beam irradiation. Maximum degrees of decomposition carried out at 10 kGy in air environment were 55-65% for “non-chlorinated” aromatic VOC and 85% for chlorobenzene. It was found that a combination of aromatic pollutants with chlorobenzene would considerably increase the degradation value up to nearly 50% compared to the same compounds in the absence of chlorine groups. Based on our experimental observation, the degradation mechanism of the aromatic compounds combined with chloro-compound suggests that a chlorine radical, formed from EB irradiation, induces a chain reaction, resulting in an accelerating oxidative destruction of aromatic VOCs.

  2. Global atmospheric budget of simple monocyclic aromatic compounds

    Directory of Open Access Journals (Sweden)

    D. Cabrera-Perez

    2016-06-01

    Full Text Available The global atmospheric budget and distribution of monocyclic aromatic compounds is estimated, using an atmospheric chemistry general circulation model. Simulation results are evaluated with an ensemble of surface and aircraft observations with the goal of understanding emission, production and removal of these compounds.Anthropogenic emissions provided by the RCP database represent the largest source of aromatics in the model (≃ 23 TgC year−1 and biomass burning from the GFAS inventory the second largest (≃ 5 TgC year−1. The simulated chemical production of aromatics accounts for  ≃ 5 TgC year−1. The atmospheric burden of aromatics sums up to 0.3 TgC. The main removal process of aromatics is photochemical decomposition (≃ 27 TgC  year−1, while wet and dry deposition are responsible for a removal of  ≃ 4 TgC year−1.Simulated mixing ratios at the surface and elsewhere in the troposphere show good spatial and temporal agreement with the observations for benzene, although the model generally underestimates mixing ratios. Toluene is generally well reproduced by the model at the surface, but mixing ratios in the free troposphere are underestimated. Finally, larger discrepancies are found for xylenes: surface mixing ratios are not only overestimated but also a low temporal correlation is found with respect to in situ observations.

  3. POLYCYCLIC AROMATIC HYDROCARBON FAR-INFRARED SPECTROSCOPY

    International Nuclear Information System (INIS)

    Boersma, C.; Mattioda, A. L.; Tielens, A. G. G. M.; Allamandola, L. J.; Bauschlicher, C. W. Jr; Ricca, A.; Peeters, E.

    2011-01-01

    The far-IR characteristics of astrophysically relevant polycyclic aromatic hydrocarbons (PAHs) averaging in size around 100 carbon atoms have been studied using the theoretical spectra in the NASA Ames PAH IR Spectroscopic Database. These spectra were calculated using density functional theory. Selections of PAH species are made, grouped together by common characteristics or trends, such as size, shape, charge, and composition, and their far-IR spectra compared. The out-of-plane modes involving the entire molecule are explored in detail, astronomical relevance is assessed, and an observing strategy is discussed. It is shown that PAHs produce richer far-IR spectra with increasing size. PAHs also produce richer far-IR spectra with increasing number of irregularities. However, series of irregular-shaped PAHs with the same compact core have common 'Jumping-Jack' modes that 'pile up' at specific frequencies in their average spectrum. For the PAHs studied here, around 100 carbon atoms in size, this band falls near 50 μm. PAH charge and nitrogen inclusion affect band intensities but have little effect on far-IR band positions. Detailed analysis of the two-dimensional, out-of-plane bending 'drumhead' modes in the coronene and pyrene 'families' and the one-dimensional, out-of-plane bending 'bar' modes in the acene 'family' show that these molecular vibrations can be treated as classical vibrating sheets and bars of graphene, respectively. The analysis also shows that the peak position of these modes is very sensitive to the area of the emitting PAH and does not depend on the particular geometry. Thus, these longest wavelength PAH bands could provide a unique handle on the size of the largest species in the interstellar PAH family. However, these bands are weak. Observing highly excited regions showing the mid-IR bands in which the emission from classical dust peaks at short wavelengths offers the best chance of detecting PAH emission in the far-IR. For these regions

  4. Polycyclic Aromatic Hydrocarbon Far-infrared Spectroscopy

    Science.gov (United States)

    Boersma, C.; Bauschlicher, C. W., Jr.; Ricca, A.; Mattioda, A. L.; Peeters, E.; Tielens, A. G. G. M.; Allamandola, L. J.

    2011-03-01

    The far-IR characteristics of astrophysically relevant polycyclic aromatic hydrocarbons (PAHs) averaging in size around 100 carbon atoms have been studied using the theoretical spectra in the NASA Ames PAH IR Spectroscopic Database. These spectra were calculated using density functional theory. Selections of PAH species are made, grouped together by common characteristics or trends, such as size, shape, charge, and composition, and their far-IR spectra compared. The out-of-plane modes involving the entire molecule are explored in detail, astronomical relevance is assessed, and an observing strategy is discussed. It is shown that PAHs produce richer far-IR spectra with increasing size. PAHs also produce richer far-IR spectra with increasing number of irregularities. However, series of irregular-shaped PAHs with the same compact core have common "Jumping-Jack" modes that "pile up" at specific frequencies in their average spectrum. For the PAHs studied here, around 100 carbon atoms in size, this band falls near 50 μm. PAH charge and nitrogen inclusion affect band intensities but have little effect on far-IR band positions. Detailed analysis of the two-dimensional, out-of-plane bending "drumhead" modes in the coronene and pyrene "families" and the one-dimensional, out-of-plane bending "bar" modes in the acene "family" show that these molecular vibrations can be treated as classical vibrating sheets and bars of graphene, respectively. The analysis also shows that the peak position of these modes is very sensitive to the area of the emitting PAH and does not depend on the particular geometry. Thus, these longest wavelength PAH bands could provide a unique handle on the size of the largest species in the interstellar PAH family. However, these bands are weak. Observing highly excited regions showing the mid-IR bands in which the emission from classical dust peaks at short wavelengths offers the best chance of detecting PAH emission in the far-IR. For these regions

  5. Intra-molecular selectivity of muonium towards chlorinated aromatic compounds

    International Nuclear Information System (INIS)

    Venkateswaran, K.; Stadlbauer, J.M.; Laing, M.E.; Klugkist, J.; Chong, D.P.; Porter, G.B.; Walker, D.C.

    1994-01-01

    Muon resonance studies show that muonium atoms (Mu) in ethanol add selectively to certain C-sites of aromatic compounds containing -Cl and -OH substituents. The sites chosen seem to be those carrying the lowest electron density. This helps to characterize Mu as a nucleophile in addition reactions and, in this respect, Mu differs from ordinary H-atoms. The study shows no apparent inter-molecular selectivity between a pair of aromatic solutes in an equimolar mixture, but strong intra-molecular selectivity in an ether composed of those two aromatic rings. This difference between intra- and inter-molecular selectivity is interpreted as kinetic in origin - arising from the 'caging effect' of the solvent and peculiar to reactions close to the diffusion-controlled limit. (orig.)

  6. Exposure of a 23F Serotype Strain of Streptococcus pneumoniae to Cigarette Smoke Condensate Is Associated with Selective Upregulation of Genes Encoding the Two-Component Regulatory System 11 (TCS11

    Directory of Open Access Journals (Sweden)

    Riana Cockeran

    2014-01-01

    Full Text Available Alterations in whole genome expression profiles following exposure of the pneumococcus (strain 172, serotype 23F to cigarette smoke condensate (160 μg/mL for 15 and 60 min have been determined using the TIGR4 DNA microarray chip. Exposure to CSC resulted in the significant (P<0.014–0.0006 upregulation of the genes encoding the two-component regulatory system 11 (TCS11, consisting of the sensor kinase, hk11, and its cognate response regulator, rr11, in the setting of increased biofilm formation. These effects of cigarette smoke on the pneumococcus may contribute to colonization of the airways by this microbial pathogen.

  7. Classification of Malaysia aromatic rice using multivariate statistical analysis

    International Nuclear Information System (INIS)

    Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A.; Omar, O.

    2015-01-01

    Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC–MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties

  8. Aromatics saturation, opening and cleavage technology for middle distillates

    Energy Technology Data Exchange (ETDEWEB)

    Oballa, M.C.; Simanzhenkov, V.; Kim, G. [NOVA Chemicals Corp., Calgary, AB (Canada)

    2009-07-01

    In order to address environmental concerns, there is a need to develop technologies to reformulate or adjust the quality of transportation fuels. The purpose is to reduce the concentration of the compounds which negatively affect the air that people breathe. One of those targeted is the aromatics content of diesel, because high aromatics content results in low cetane number of diesel, as well as higher emission of particulate matter. Less conventional sources of hydrocarbon feedstock such as oil from oil sands and/or shale oil are being exploited in Alberta. These feeds contain multiple fused aromatic ring compounds. NOVA Chemicals would like to use these potentially abundant liquids as feed, but they must first be transformed into a more user friendly state. This paper discussed the development of a process technology that could saturate the aromatic rings, open up the saturated rings and cleave them to get smaller paraffinic molecules. The products then comprised of lower paraffins are suitable as feed to steam crackers for the production of ethylene and propylene, higher paraffins suitable for blending into gasoline and mono aromatic ring compounds which may be further treated through alkylation of benzene to ethylbenzene and dealkylation to styrene. The paper discussed the process steps and highlighted the catalysts. Research results were also shown. It was concluded that the critical technology gaps, as well as solutions, which would enable overcoming the challenges related to handling of aromatic bitumen feedstock, entail the development of two different catalysts, which are on two different technology platforms. 7 refs., 3 tabs., 5 figs.

  9. Classification of Malaysia aromatic rice using multivariate statistical analysis

    Energy Technology Data Exchange (ETDEWEB)

    Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A. [School of Mechatronic Engineering, Universiti Malaysia Perlis, Kampus Pauh Putra, 02600 Arau, Perlis (Malaysia); Omar, O. [Malaysian Agriculture Research and Development Institute (MARDI), Persiaran MARDI-UPM, 43400 Serdang, Selangor (Malaysia)

    2015-05-15

    Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC–MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties.

  10. Classification of Malaysia aromatic rice using multivariate statistical analysis

    Science.gov (United States)

    Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A.; Omar, O.

    2015-05-01

    Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC-MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties.

  11. Biodegradation Rates of Aromatic Contaminants in Biofilm Reactors

    DEFF Research Database (Denmark)

    Arcangeli, Jean-Pierre; Arvin, Erik

    1995-01-01

    This study has shown that microorganisms can adapt to degrade mixtures of aromatic pollutants at relatively high rates in the μg/l concentration range. The biodegradation rates of the following compounds were investigated in biofilm systems: aromatic hydrocarbons, phenol, methylphenols......-reducing conditions, toluene was easily biodegraded. The xylenes and ethylbenzene were degraded cometabolically if toluene was used as a primary carbon source; their removal was influenced by competitive inhibition with toluene. These interaction phenomena are discussed in this paper and a kinetic model taking...

  12. Ionic Liquids as Benign Solvents for the Extraction of Aromatics

    International Nuclear Information System (INIS)

    Hossain, Md. Anwar; Lee, Jeesun; Kim, Dai Hyun; Nguyen, Dinh Quan; Cheong, Minserk; Kim, Hoon Sik

    2012-01-01

    Ionic liquids (ILs) have been extensively investigated as promising alternatives to conventional organic solvents such as sulfolane and N,N-dimethylformamide for the selective extraction of aromatic hydrocarbons from the C 6 -C 10 hydrocarbon mixtures produced from the cracking processes of naphtha and light oils. The most important advantage of ILs over conventional organic solvents is that they are immiscible with aliphatic hydrocarbons, and thus the back extraction of ILs from the raffinate phases and top hydrocarbon-rich layers is not necessary. In this paper, a brief review on the state of the art in the utilization of ILs for aromatics separation is presented

  13. Polycyclic aromatic hydrocarbons in air samples of meat smokehouses

    DEFF Research Database (Denmark)

    Hansen, Åse Marie; Olsen, I L; Poulsen, O M

    1992-01-01

    In a screening programme nine Danish meat smokehouses were randomly selected for measurements on concentration of airborne polycyclic aromatic hydrocarbons (PAH). A total of 23 stationary air samples were collected during the entire working period of the kiln either above the kiln doors or approx......In a screening programme nine Danish meat smokehouses were randomly selected for measurements on concentration of airborne polycyclic aromatic hydrocarbons (PAH). A total of 23 stationary air samples were collected during the entire working period of the kiln either above the kiln doors...

  14. Recent Studies on the Aromaticity and Antiaromaticity of Planar Cyclooctatetraene

    Directory of Open Access Journals (Sweden)

    Masahiko Iyoda

    2010-02-01

    Full Text Available Cyclooctatetraene (COT, the first 4nπ-electron system to be studied, adopts an inherently nonplanar tub-shaped geometry of D2d symmetry with alternating single and double bonds, and hence behaves as a nonaromatic polyene rather than an antiaromatic compound. Recently, however, considerable 8π-antiaromatic paratropicity has been shown to be generated in planar COT rings even with the bond alternated D4h structure. In this review, we highlight recent theoretical and experimental studies on the antiaromaticity of hypothetical and actual planar COT. In addition, theoretically predicted triplet aromaticity and stacked aromaticity of planar COT are also briefly described.

  15. Unleaded gasoline with reduction in benzene and aromatics

    International Nuclear Information System (INIS)

    Ahmed, I.

    2003-01-01

    The trend today is towards making gasoline more environment and human friendly or in other words making gasoline a really clean fuel. This paper covers the ill effects of benzene and aromatics and the driving force behind their reduction in gasoline worldwide. It addresses health concerns specifically, and the theme is unleaded gasoline without simultaneously addressing reduction in benzene and aromatics is more harmful. The paper cites worldwide case studies, and also the World Bank (WB), Government of Pakistan (GoP), and United Nations (UN) efforts in this area in Pakistan. (author)

  16. Manufacture of aromatic hydrocarbons from coal hydrogenation products

    Energy Technology Data Exchange (ETDEWEB)

    A.S. Maloletnev; M.A. Gyul' malieva [Institute for Fossil Fuels, Moscow (Russian Federation)

    2007-08-15

    The manufacture of aromatic hydrocarbons from coal distillates was experimentally studied. A flow chart for the production of benzene, ethylbenzene, toluene, and xylenes was designed, which comprised the hydrogen treatment of the total wide-cut (or preliminarily dephenolized) fraction with FBP 425{sup o}C; fractional distillation of the hydrotreated products into IBP-60, 60-180, 180-300, and 300-425{sup o}C fractions; the hydro-cracking of middle fractions for increasing the yield of gasoline fractions whenever necessary; the catalytic reform of the fractions with bp up to 180{sup o}C; and the extraction of aromatic hydrocarbons.

  17. Adsorption of polar, nonpolar, and substituted aromatics to colloidal graphene oxide nanoparticles

    NARCIS (Netherlands)

    Wang, Fang; Haftka, Joris J H; Sinnige, Theo L.; Hermens, Joop L M; Chen, Wei

    2014-01-01

    We conducted batch adsorption experiments to understand the adsorptive properties of colloidal graphene oxide nanoparticles (GONPs) for a range of environmentally relevant aromatics and substituted aromatics, including model nonpolar compounds (pyrene, phenanthrene, naphthalene, and

  18. Physicochemical Mechanisms of Synergistic Biological Action of Combinations of Aromatic Heterocyclic Compounds

    OpenAIRE

    Evstigneev, Maxim P.

    2013-01-01

    The mechanisms of synergistic biological effects observed in the simultaneous use of aromatic heterocyclic compounds in combination are reviewed, and the specific biological role of heteroassociation of aromatic molecules is discussed.

  19. Economical feasibility of zeolite membranes for industrial scale separations of aromatic hydrocarbons

    NARCIS (Netherlands)

    Meindersma, G.W.; de Haan, A.B.

    2002-01-01

    Naphtha cracker feedstocks contain 10–25 wt% aromatic hydrocarbons, which are not converted into the desired products ethylene and propylene. The conventional processes for the separation of aromatic and aliphatic hydrocarbons are extraction, extractive distillation and azeotropic distillation.

  20. Applications of electrochemically-modulated liquid chromatography (EMLC): Separations of aromatic amino acids and polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Li [Iowa State Univ., Ames, IA (United States)

    1998-03-27

    The research in this thesis explores the separation capabilities of a new technique termed electrochemically-modulated liquid chromatography (EMLC). The thesis begins with a general introduction section which provides a literature review of this technique as well as a brief background discussion of the two research projects in each of the next two chapters. The two papers which follow investigate the application of EMLC to the separation of a mixture of aromatic amino acids and of a mixture of polycyclic aromatic hydrocarbons (PAHs). The last section presents general conclusions and summarizes the thesis. References are compiled in the reference section of each chapter. The two papers have been removed for separate processing.