Sample records for abundant compound class

  1. Previously unknown class of metalorganic compounds revealed in meteorites

    PubMed Central

    Ruf, Alexander; Kanawati, Basem; Hertkorn, Norbert; Yin, Qing-Zhu; Moritz, Franco; Harir, Mourad; Lucio, Marianna; Michalke, Bernhard; Wimpenny, Joshua; Shilobreeva, Svetlana; Bronsky, Basil; Saraykin, Vladimir; Gabelica, Zelimir; Gougeon, Régis D.; Quirico, Eric; Ralew, Stefan; Jakubowski, Tomasz; Haack, Henning; Gonsior, Michael; Jenniskens, Peter; Hinman, Nancy W.; Schmitt-Kopplin, Philippe

    2017-01-01

    The rich diversity and complexity of organic matter found in meteorites is rapidly expanding our knowledge and understanding of extreme environments from which the early solar system emerged and evolved. Here, we report the discovery of a hitherto unknown chemical class, dihydroxymagnesium carboxylates [(OH)2MgO2CR]−, in meteoritic soluble organic matter. High collision energies, which are required for fragmentation, suggest substantial thermal stability of these Mg-metalorganics (CHOMg compounds). This was corroborated by their higher abundance in thermally processed meteorites. CHOMg compounds were found to be present in a set of 61 meteorites of diverse petrological classes. The appearance of this CHOMg chemical class extends the previously investigated, diverse set of CHNOS molecules. A connection between the evolution of organic compounds and minerals is made, as Mg released from minerals gets trapped into organic compounds. These CHOMg metalorganic compounds and their relation to thermal processing in meteorites might shed new light on our understanding of carbon speciation at a molecular level in meteorite parent bodies. PMID:28242686

  2. Environmental bacteria produce abundant and diverse antibiofilm compounds.

    PubMed

    Farmer, J T; Shimkevitch, A V; Reilly, P S; Mlynek, K D; Jensen, K S; Callahan, M T; Bushaw-Newton, K L; Kaplan, J B

    2014-12-01

    The aim of this study was to isolate novel antibiofilm compounds produced by environmental bacteria. Cell-free extracts were prepared from lawns of bacteria cultured on agar. A total of 126 bacteria isolated from soil, cave and river habitats were employed. Extracts were tested for their ability to inhibit Staphylococcus aureus biofilm in a 96-well microtitre plate assay. A total of 55/126 extracts (44%) significantly inhibited Staph. aureus biofilm. Seven extracts were selected for further analysis. The antibiofilm activities in all seven extracts exhibited unique patterns of molecular mass, chemical polarity, heat stability and spectrum of activity against Staph. aureus, Staphylococcus epidermidis and Pseudomonas fluorescens, suggesting that these seven antibiofilm activities were mediated by unique chemical compounds with different mechanisms of action. Environmental bacteria produce abundant and diverse antibiofilm compounds. Screening cell-free extracts is a useful method for identifying secreted compounds that regulate biofilm formation. Such compounds may represent a novel source of antibiofilm agents for technological development. © 2014 The Society for Applied Microbiology.

  3. Synergistic interactions between phenolic compounds identified in grape pomace extract with antibiotics of different classes against Staphylococcus aureus and Escherichia coli.

    PubMed

    Sanhueza, Loreto; Melo, Ricardo; Montero, Ruth; Maisey, Kevin; Mendoza, Leonora; Wilkens, Marcela

    2017-01-01

    Synergy could be an effective strategy to potentiate and recover antibiotics nowadays useless in clinical treatments against multi-resistant bacteria. In this study, synergic interactions between antibiotics and grape pomace extract that contains high concentration of phenolic compounds were evaluated by the checkerboard method in clinical isolates of Staphylococcus aureus and Escherichia coli. To define which component of the extract is responsible for the synergic effect, phenolic compounds were identified by RP-HPLC and their relative abundance was determined. Combinations of extract with pure compounds identified there in were also evaluated. Results showed that the grape pomace extract combined with representatives of different classes of antibiotics as β-lactam, quinolone, fluoroquinolone, tetracycline and amphenicol act in synergy in all S. aureus and E. coli strains tested with FICI values varying from 0.031 to 0.155. The minimal inhibitory concentration (MIC) was reduced 4 to 75 times. The most abundant phenolic compounds identified in the extract were quercetin, gallic acid, protocatechuic acid and luteolin with relative abundance of 26.3, 24.4, 16.7 and 11.4%, respectively. All combinations of the extract with the components also showed synergy with FICI values varying from 0.031 to 0.5 and MIC reductions of 4 to 125 times with both bacteria strains. The relative abundance of phenolic compounds has no correlation with the obtained synergic effect, suggesting that the mechanism by which the synergic effect occurs is by a multi-objective action. It was also shown that combinations of grape pomace extract with antibiotics are not toxic for the HeLa cell line at concentrations in which the synergistic effect was observed (47 μg/mL of extract and 0.6-375 μg/mL antibiotics). Therefore, these combinations are good candidates for testing in animal models in order to enhance the effect of antibiotics of different classes and thus restore the currently unused

  4. The Effect of Excipients on the Permeability of BCS Class III Compounds and Implications for Biowaivers.

    PubMed

    Parr, Alan; Hidalgo, Ismael J; Bode, Chris; Brown, William; Yazdanian, Mehran; Gonzalez, Mario A; Sagawa, Kazuko; Miller, Kevin; Jiang, Wenlei; Stippler, Erika S

    2016-01-01

    Currently, the FDA allows biowaivers for Class I (high solubility and high permeability) and Class III (high solubility and low permeability) compounds of the Biopharmaceutics Classification System (BCS). Scientific evidence should be provided to support biowaivers for BCS Class I and Class III (high solubility and low permeability) compounds. Data on the effects of excipients on drug permeability are needed to demonstrate that commonly used excipients do not affect the permeability of BCS Class III compounds, which would support the application of biowaivers to Class III compounds. This study was designed to generate such data by assessing the permeability of four BCS Class III compounds and one Class I compound in the presence and absence of five commonly used excipients. The permeability of each of the compounds was assessed, at three to five concentrations, with each excipient in two different models: Caco-2 cell monolayers, and in situ rat intestinal perfusion. No substantial increases in the permeability of any of the compounds were observed in the presence of any of the tested excipients in either of the models, with the exception of disruption of Caco-2 cell monolayer integrity by sodium lauryl sulfate at 0.1 mg/ml and higher. The results suggest that the absorption of these four BCS Class III compounds would not be greatly affected by the tested excipients. This may have implications in supporting biowaivers for BCS Class III compounds in general.

  5. Incipient class II mixed valency in a plutonium solid-state compound

    NASA Astrophysics Data System (ADS)

    Cary, Samantha K.; Galley, Shane S.; Marsh, Matthew L.; Hobart, David L.; Baumbach, Ryan E.; Cross, Justin N.; Stritzinger, Jared T.; Polinski, Matthew J.; Maron, Laurent; Albrecht-Schmitt, Thomas E.

    2017-09-01

    Electron transfer in mixed-valent transition-metal complexes, clusters and materials is ubiquitous in both natural and synthetic systems. The degree to which intervalence charge transfer (IVCT) occurs, dependent on the degree of delocalization, places these within class II or III of the Robin-Day system. In contrast to the d-block, compounds of f-block elements typically exhibit class I behaviour (no IVCT) because of localization of the valence electrons and poor spatial overlap between metal and ligand orbitals. Here, we report experimental and computational evidence for delocalization of 5f electrons in the mixed-valent PuIII/PuIV solid-state compound, Pu3(DPA)5(H2O)2 (DPA = 2,6-pyridinedicarboxylate). The properties of this compound are benchmarked by the pure PuIII and PuIV dipicolinate complexes, [PuIII(DPA)(H2O)4]Br and PuIV(DPA)2(H2O)3·3H2O, as well as by a second mixed-valent compound, PuIII[PuIV(DPA)3H0.5]2, that falls into class I instead. Metal-to-ligand charge transfer is involved in both the formation of Pu3(DPA)5(H2O)2 and in the IVCT.

  6. A novel class of pyranocoumarin anti-androgen receptor signaling compounds.

    PubMed

    Guo, Junming; Jiang, Cheng; Wang, Zhe; Lee, Hyo-Jeong; Hu, Hongbo; Malewicz, Barbara; Lee, Hyo-Jung; Lee, Jae-Ho; Baek, Nam-In; Jeong, Jin-Hyun; Kim, Dae-Keun; Kang, Kyung-Sun; Kim, Sung-Hoon; Lu, Junxuan

    2007-03-01

    Androgen and the androgen receptor (AR)-mediated signaling are crucial for prostate cancer development. Novel agents that can inhibit AR signaling in ligand-dependent and ligand-independent manners are desirable for the chemoprevention of prostate carcinogenesis and for the treatment of advanced prostate cancer. We have shown recently that the pyranocoumarin compound decursin from the herb Angelica gigas possesses potent anti-AR activities distinct from the anti-androgen bicalutamide. Here, we compared the anti-AR activities and the cell cycle arrest and apoptotic effects of decursin and two natural analogues in the androgen-dependent LNCaP human prostate cancer cell culture model to identify structure-activity relationships and mechanisms. Decursin and its isomer decursinol angelate decreased prostate-specific antigen expression with IC(50) of approximately 1 mumol/L. Both inhibited the androgen-stimulated AR nuclear translocation and transactivation, decreased AR protein abundance through proteasomal degradation, and induced G(0/1) arrest and morphologic differentiation. They also induced caspase-mediated apoptosis and reactive oxygen species at higher concentrations. Furthermore, they lacked the agonist activity of bicalutamide in the absence of androgen and were more potent than bicalutamide for suppressing androgen-stimulated cell growth. Decursinol, which does not contain a side chain, lacked the reactive oxygen species induction and apoptotic activities and exerted paradoxically an inhibitory and a stimulatory effect on AR signaling and cell growth. In conclusion, decursin and decursinol angelate are members of a novel class of nonsteroidal compounds that exert a long-lasting inhibition of both ligand-dependent and ligand-independent AR signaling. The side chain is critical for sustaining the anti-AR activities and the growth arrest and apoptotic effects.

  7. Anti-trypanosomal activities and structural chemical properties of selected compound classes.

    PubMed

    Ponte-Sucre, Alicia; Bruhn, Heike; Schirmeister, Tanja; Cecil, Alexander; Albert, Christian R; Buechold, Christian; Tischer, Maximilian; Schlesinger, Susanne; Goebel, Tim; Fuß, Antje; Mathein, Daniela; Merget, Benjamin; Sotriffer, Christoph A; Stich, August; Krohne, Georg; Engstler, Markus; Bringmann, Gerhard; Holzgrabe, Ulrike

    2015-02-01

    Potent compounds do not necessarily make the best drugs in the market. Consequently, with the aim to describe tools that may be fundamental for refining the screening of candidates for animal and preclinical studies and further development, molecules of different structural classes synthesized within the frame of a broad screening platform were evaluated for their trypanocidal activities, cytotoxicities against murine macrophages J774.1 and selectivity indices, as well as for their ligand efficiencies and structural chemical properties. To advance into their modes of action, we also describe the morphological and ultrastructural changes exerted by selected members of each compound class on the parasite Trypanosoma brucei. Our data suggest that the potential organelles targeted are either the flagellar pocket (compound 77, N-Arylpyridinium salt; 15, amino acid derivative with piperazine moieties), the endoplasmic reticulum membrane systems (37, bisquaternary bisnaphthalimide; 77, N-Arylpyridinium salt; 68, piperidine derivative), or mitochondria and kinetoplasts (88, N-Arylpyridinium salt; 68, piperidine derivative). Amino acid derivatives with fumaric acid and piperazine moieties (4, 15) weakly inhibiting cysteine proteases seem to preferentially target acidic compartments. Our results suggest that ligand efficiency indices may be helpful to learn about the relationship between potency and chemical characteristics of the compounds. Interestingly, the correlations found between the physico-chemical parameters of the selected compounds and those of commercial molecules that target specific organelles indicate that our rationale might be helpful to drive compound design toward high activities and acceptable pharmacokinetic properties for all compound families.

  8. Multi-class Mode of Action Classification of Toxic Compounds Using Logic Based Kernel Methods.

    PubMed

    Lodhi, Huma; Muggleton, Stephen; Sternberg, Mike J E

    2010-09-17

    Toxicity prediction is essential for drug design and development of effective therapeutics. In this paper we present an in silico strategy, to identify the mode of action of toxic compounds, that is based on the use of a novel logic based kernel method. The technique uses support vector machines in conjunction with the kernels constructed from first order rules induced by an Inductive Logic Programming system. It constructs multi-class models by using a divide and conquer reduction strategy that splits multi-classes into binary groups and solves each individual problem recursively hence generating an underlying decision list structure. In order to evaluate the effectiveness of the approach for chemoinformatics problems like predictive toxicology, we apply it to toxicity classification in aquatic systems. The method is used to identify and classify 442 compounds with respect to the mode of action. The experimental results show that the technique successfully classifies toxic compounds and can be useful in assessing environmental risks. Experimental comparison of the performance of the proposed multi-class scheme with the standard multi-class Inductive Logic Programming algorithm and multi-class Support Vector Machine yields statistically significant results and demonstrates the potential power and benefits of the approach in identifying compounds of various toxic mechanisms. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Survey of the class of isovalent antiperovskite alkaline-earth pnictide compounds

    NASA Astrophysics Data System (ADS)

    Goh, Wen Fong; Pickett, Warren E.

    2018-01-01

    The few reported members of the antiperovskite structure class A e3P nAP nB of alkaline-earth (A e =Ca , Sr, Ba) pnictide (P n =N , P, As, Sb, Bi) compounds are all based on the B -site anion P nB=N . All can be categorized as narrow-gap semiconductors, making them of interest for several reasons. Because chemical reasoning suggests that more members of this class may be stable, we provide here a density functional theory (DFT)-based survey of this entire class of 3 ×5 ×5 compounds. We determine first the relative energetic stability of the distribution of pairs of P n ions in the A and B sites of the structure, finding that the B site always favors the small pnictogen anion. The trends of the calculated energy gaps versus the A e cation and P n anions are determined, and we study effects of spin-orbit coupling as well as two types of gap corrections to the conventional DFT electronic spectrum. Because there have been suggestions that this class harbors topological insulating phases, we have given this possibility attention and found that energy gap corrections indicate the cubic structures will provide at most a few topological insulators. Structural instability is addressed by calculating phonon dispersion curves for a few compounds, with one outcome being that distorted structures should be investigated further for thermoelectric and topological character. Examples of the interplay between spin-orbit coupling and strain on the topological nature are provided. A case study of Ca3BiP including the effect of strain illustrates how a topological semimetal can be transformed into a topological insulator and Dirac semimetal.

  10. Nontargeted Screening of Halogenated Organic Compounds in Bottlenose Dolphins (Tursiops truncatus) from Rio de Janeiro, Brazil.

    PubMed

    Alonso, Mariana B; Maruya, Keith A; Dodder, Nathan G; Lailson-Brito, José; Azevedo, Alexandre; Santos-Neto, Elitieri; Torres, Joao P M; Malm, Olaf; Hoh, Eunha

    2017-02-07

    To catalog the diversity and abundance of halogenated organic compounds (HOCs) accumulating in high trophic marine species from the southwestern Atlantic Ocean, tissue from bottlenose dolphins (Tursiops truncatus) stranded or incidentally captured along the coast of Rio de Janeiro, Brazil, were analyzed by a nontargeted approach based on GC×GC/TOF-MS. A total of 158 individual HOCs from 32 different structural classes were detected in the blubber of 4 adult male T. truncatus. Nearly 90% of the detected compounds are not routinely monitored in the environment. DDT-related and mirex/dechlorane-related compounds were the most abundant classes of anthropogenic origin. Methoxy-brominated diphenyl ethers (MeO-BDEs) and chlorinated methyl- and dimethyl bipyrroles (MBPs and DMBPs) were the most abundant natural products. Reported for the first time in southwestern Atlantic cetaceans and in contrast to North American marine mammals, chlorinated MBPs and DMBPs were more abundant than their brominated and/or mixed halogenated counterparts. HOC profiles in coastal T. truncatus from Brazil and California revealed a distinct difference, with a higher abundance of MeO-BDEs, mirex/dechloranes and chlorinated bipyrroles in the Brazilian dolphins. Thirty-six percent of the detected HOCs had an unknown structure. These results suggest broad geographical differences in the patterns of bioaccumulative chemicals found in the marine environment and indicate the need to develop more complete catalogs of HOCs from various marine environments.

  11. Trigonal Cu2-II-Sn-VI4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant photovoltaics.

    PubMed

    Hong, Feng; Lin, Wenjun; Meng, Weiwei; Yan, Yanfa

    2016-02-14

    We propose trigonal Cu2-II-Sn-VI4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant solar cell applications. Through density functional theory calculations, we show that these compounds exhibit similar electronic and optical properties to kesterite Cu2ZnSnS4 (CZTS): high optical absorption with band gaps suitable for efficient single-junction solar cell applications. However, the trigonal Cu2-II-Sn-VI4 compounds exhibit defect properties more suitable for photovoltaic applications than those of CZTS. In CZTS, the dominant defects are the deep acceptors, Cu substitutions on Zn sites, which cause non-radiative recombination and limit the open-circuit voltages of CZTS solar cells. On the contrary, the dominant defects in trigonal Cu2-II-Sn-VI4 are the shallow acceptors, Cu vacancies, similar to those in CuInSe2. Our results suggest that the trigonal Cu2-II-Sn-VI4 quaternary compounds could be promising candidates for efficient earth-abundant thin-film solar cell and photoeletrochemical water-splitting applications.

  12. Polyphenols and Volatile Compounds in Commercial Chokeberry (Aronia melanocarpa) Products.

    PubMed

    Romani, Annalisa; Vignolini, Pamela; Ieri, Francesca; Heimler, Daniela

    2016-01-01

    Aronia melanocarpa (Michx.) Elliott commercial products (dried fruit, juice and compote) were analyzed for their polyphenol content by chromatographic and spectrophotometric analyses in order to ascertain the fate of this group of compounds when fresh fruit is processed and sold in different forms on the market. Different classes of polyphenols were investigated: hydroxycinnamic derivatives ranged from 0.65 mg/g to 4.30 mg/g, flavonoids from 0.36 mg/g to 1.12 mg/g, and anthocyanins from 0.65 to 7.08 mg/g sample. 4-O-Caffeoyl-quinic acid was tentatively identified for the first time in Aronia. In order to characterize better chokeberry juice, a GC profile of aroma compounds was obtained. The aroma juice compounds belong mainly to the chemical classes of alcohols (48.9%) and ketones (30.28%). The most abundant compound is 3-penthen-2-one (23.6%).

  13. Shotgun mitogenomics across body size classes in a local assemblage of tropical Diptera: Phylogeny, species diversity and mitochondrial abundance spectrum.

    PubMed

    Choo, Le Qin; Crampton-Platt, Alex; Vogler, Alfried P

    2017-10-01

    Mitochondrial genomes can be assembled readily from shotgun-sequenced DNA mixtures of mass-trapped arthropods ("mitochondrial metagenomics"), speeding up the taxonomic characterization. Bulk sequencing was conducted on some 800 individuals of Diptera obtained by canopy fogging of a single tree in Borneo dominated by small (<1.5 mm) individuals. Specimens were split into five body size classes for DNA extraction, to equalize read numbers across specimens and to study how body size, a key ecological trait, interacts with species and phylogenetic diversity. Genome assembly produced 304 orthologous mitochondrial contigs presumed to each represent a different species. The small-bodied fraction was the by far most species-rich (187 contigs). Identification of contigs was through phylogenetic analysis together with 56 reference mitogenomes, which placed most of the Bornean community into seven clades of small-bodied species, indicating phylogenetic conservation of body size. Mapping of shotgun reads against the mitogenomes showed wide ranges of read abundances within each size class. Ranked read abundance plots were largely log-linear, indicating a uniformly filled abundance spectrum, especially for small-bodied species. Small-bodied species differed greatly from other size classes in neutral metacommunity parameters, exhibiting greater levels of immigration, besides greater total community size. We suggest that the established uses of mitochondrial metagenomics for analysis of species and phylogenetic diversity can be extended to parameterize recent theories of community ecology and biodiversity, and by focusing on the number mitochondria, rather than individuals, a new theoretical framework for analysis of mitochondrial abundance spectra can be developed that incorporates metabolic activity approximated by the count of mitochondria. © 2017 John Wiley & Sons Ltd.

  14. Levoglucosan and Lipid Class Compounds in the Asian Dusts and Marine Aerosols Collected During the ACE-Asia Campaign

    NASA Astrophysics Data System (ADS)

    Kobayashi, M.; Simoneit, B. R.; Kawamura, K.; Mochida, M.; Lee, M.; Lee, G.; Huebert, B. J.

    2002-12-01

    In order to characterize organic aerosols in the Asian Pacific region, we collected filter samples at Gosan (formerly Kosan) and Sapporo sites as well as on mobile platforms (R.V. R.H. Brown and NCAR C-130) in the western North Pacific. The aerosol extracts were analyzed by capillary GC-MS employing a TMS derivatization technique. We identified over 100 organic compounds in the samples. They are categorized into seven different classes in terms of functional groups and sources. First, sugar-type compounds were detected in the aerosols, including levoglucosan, galactosan and mannosan, which are tracers for biomass burning. Second, a homologous series of fatty acids (C12-C30) and fatty alcohols (C12-C30) mainly from plant waxes and marine lipids were present. The third group includes dicarboxylic acids (>C3) and other atmospheric oxidation products. Although oxalic (C2) and malonic (C3) acids were not detected by this method, they are very abundant in the aerosols. The fourth group includes n-alkanes (C18-C35) which usually showed a strong odd/even predominance, suggesting an important contribution from higher plant waxes. The fifth includes polynuclear aromatic hydrocarbons (PAH) ranging from phenanthrene to coronene, all combustion products of petroleum and mainly coal. Saccharides were the sixth group and consisted mainly of a- and b- glucose, sucrose and its alditol, and minor amounts of xylitol, sorbitol and arabitol. These saccharides are tracers for soil dust. Phthalates were detected as the seventh class, with a dominance of dioctyl phthalate. The results suggest that organic aerosols originate primarily from (1) natural emissions of terrestrial plant wax and marine lipids, (2) smoke from biomass burning (mainly non-conifer fuels), (3) soil resuspension due to spring agricultural activity, (4) urban/industrial emissions from fossil fuel use (coal), and (5) secondary reaction products. These compounds are transported by the strong westerly winds and therefore

  15. A Connectionist Model of Stimulus Class Formation with a Yes/No Procedure and Compound Stimuli

    ERIC Educational Resources Information Center

    Tovar, Angel E.; Chavez, Alvaro Torres

    2012-01-01

    We analyzed stimulus class formation in a human study and in a connectionist model (CM) with a yes/no procedure, using compound stimuli. In the human study, the participants were six female undergraduate students; the CM was a feed-forward back-propagation network. Two 3-member stimulus classes were trained with a similar procedure in both the…

  16. Bioremediation of PAH-contamined soils: Consequences on formation and degradation of polar-polycyclic aromatic compounds and microbial community abundance.

    PubMed

    Biache, Coralie; Ouali, Salma; Cébron, Aurélie; Lorgeoux, Catherine; Colombano, Stéfan; Faure, Pierre

    2017-05-05

    A bioslurry batch experiment was carried out over five months on three polycyclic aromatic compound (PAC) contaminated soils to study the PAC (PAH and polar-PAC) behavior during soil incubation and to evaluate the impact of PAC contamination on the abundance of microbial communities and functional PAH-degrading populations. Organic matter characteristics and reactivity, assessed through solvent extractable organic matter and PAC contents, and soil organic matter mineralization were monitored during 5 months. Total bacteria and fungi, and PAH-ring hydroxylating dioxygenase genes were quantified. Results showed that PAHs and polar-PACs were degraded with different degradation dynamics. Differences in degradation rates were observed among the three soils depending on PAH distribution and availability. Overall, low molecular weight compounds were preferentially degraded. Degradation selectivity between isomers and structurally similar compounds was observed which could be used to check the efficiency of bioremediation processes. Bacterial communities were dominant over fungi and were most likely responsible for PAC degradation. Abundance of PAH-degrading bacteria increased during incubations, but their proportion in the bacterial communities tended to decrease. The accumulation of some oxygenated-PACs during the bioslurry experiment underlines the necessity to monitor these compounds during application of remediation treatment on PAH contaminated soils. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. The influence of alewife year-class strength on prey selection and abundance of age-1 Chinook salmon in Lake Michigan

    USGS Publications Warehouse

    Warner, D.M.; Kiley, C.S.; Claramunt, R.M.; Clapp, D.F.

    2008-01-01

    We used growth and diet data from a fishery-independent survey of Chinook salmon Oncorhynchus tshawytscha, acoustic estimates of prey density and biomass, and statistical catch-at-age modeling to study the influence of the year-class strength of alewife Alosa pseudoharengus on the prey selection and abundance of age-1 Chinook salmon in Lake Michigan during the years 1992-1996 and 2001-2005. Alewives age 2 or younger were a large part of age-1 Chinook salmon diets but were not selectively fed upon by age-1 Chinook salmon in most years. Feeding by age-1 Chinook salmon on alewives age 2 or younger became selective as the biomass of alewives in that young age bracket increased, and age-1 Chinook salmon also fed selectively on young bloaters Coregonus hoyi when bloater density was high. Selection of older alewives decreased at high densities of alewives age 2 or younger and, in some cases, high densities of bloater. The weight and condition of age-1 Chinook salmon were not related to age-1 Chinook salmon abundance or prey abundance, but the abundance of age-1 Chinook salmon in year t was positively related to the density of age-0 alewives in year t - 1. Our results suggest that alewife year-class strength exerts a positive bottom-up influence on age-1 Chinook salmon abundance, prey switching behavior by young Chinook salmon contributing to the stability of the predator-prey relationship between Chinook salmon and alewives. ?? Copyright by the American Fisheries Society 2008.

  18. Synthesis and Biological Evaluation of Ginsenoside Compound K Derivatives as a Novel Class of LXRα Activator.

    PubMed

    Huang, Yan; Liu, Hongmei; Zhang, Yingxian; Li, Jin; Wang, Chenping; Zhou, Li; Jia, Yi; Li, Xiaohui

    2017-07-24

    Compound K is one of the active metabolites of Panaxnotoginseng saponins, which could attenuate the formation of atherosclerosis in mice modelsvia activating LXRα. We synthesized and evaluated a series of ginsenoside compound K derivatives modified with short chain fatty acids. All of the structures of this class of ginsenoside compound K derivative exhibited comparable or better biological activity than ginsenoside compound K. Especially structure 1 exhibited the best potency (cholesteryl ester content: 41.51%; expression of ABCA1 mRNA: 319%) and low cytotoxicity.

  19. Is scaffold hopping a reliable indicator for the ability of computational methods to identify structurally diverse active compounds?

    NASA Astrophysics Data System (ADS)

    Dimova, Dilyana; Bajorath, Jürgen

    2017-07-01

    Computational scaffold hopping aims to identify core structure replacements in active compounds. To evaluate scaffold hopping potential from a principal point of view, regardless of the computational methods that are applied, a global analysis of conventional scaffolds in analog series from compound activity classes was carried out. The majority of analog series was found to contain multiple scaffolds, thus enabling the detection of intra-series scaffold hops among closely related compounds. More than 1000 activity classes were found to contain increasing proportions of multi-scaffold analog series. Thus, using such activity classes for scaffold hopping analysis is likely to overestimate the scaffold hopping (core structure replacement) potential of computational methods, due to an abundance of artificial scaffold hops that are possible within analog series.

  20. Newly Identified DDT-Related Compounds Accumulating in Southern California Bottlenose Dolphins.

    PubMed

    Mackintosh, Susan A; Dodder, Nathan G; Shaul, Nellie J; Aluwihare, Lihini I; Maruya, Keith A; Chivers, Susan J; Danil, Kerri; Weller, David W; Hoh, Eunha

    2016-11-15

    Nontargeted GC×GC-TOF/MS analysis of blubber from 8 common bottlenose dolphins (Tursiops truncatus) inhabiting the Southern California Bight was performed to identify novel, bioaccumulative DDT-related compounds and to determine their abundance relative to the commonly studied DDT-related compounds. We identified 45 bioaccumulative DDT-related compounds of which the majority (80%) is not typically monitored in environmental media. Identified compounds include transformation products, technical mixture impurities such as tris(chlorophenyl)methane (TCPM), the presumed TCPM metabolite tris(chlorophenyl)methanol (TCPMOH), and structurally related compounds with unknown sources, such as hexa- to octachlorinated diphenylethene. To investigate impurities in pesticide mixtures as possible sources of these compounds, we analyzed technical DDT, the primary source of historical contamination in the region, and technical Dicofol, a current use pesticide that contains DDT-related compounds. The technical mixtures contained only 33% of the compounds identified in the blubber, suggesting that transformation products contribute to the majority of the load of DDT-related contaminants in these sentinels of ocean health. Quantitative analysis revealed that TCPM was the second most abundant compound class detected in the blubber, following DDE, and TCPMOH loads were greater than DDT. QSPR estimates verified 4,4',4″-TCPM and 4,4'4,″-TCPMOH are persistent and bioaccumulative.

  1. Estimating abundance

    USGS Publications Warehouse

    Sutherland, Chris; Royle, Andy

    2016-01-01

    This chapter provides a non-technical overview of ‘closed population capture–recapture’ models, a class of well-established models that are widely applied in ecology, such as removal sampling, covariate models, and distance sampling. These methods are regularly adopted for studies of reptiles, in order to estimate abundance from counts of marked individuals while accounting for imperfect detection. Thus, the chapter describes some classic closed population models for estimating abundance, with considerations for some recent extensions that provide a spatial context for the estimation of abundance, and therefore density. Finally, the chapter suggests some software for use in data analysis, such as the Windows-based program MARK, and provides an example of estimating abundance and density of reptiles using an artificial cover object survey of Slow Worms (Anguis fragilis).

  2. Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Katz, Francine S.; Pecic, Stevan; Tran, Timothy H.

    Acetylcholinesterase (AChE) that has been covalently inhibited by organophosphate compounds (OPCs), such as nerve agents and pesticides, has traditionally been reactivated by using nucleophilic oximes. There is, however, a clearly recognized need for new classes of compounds with the ability to reactivate inhibited AChE with improved in vivo efficacy. Here we describe our discovery of new functional groups—Mannich phenols and general bases—that are capable of reactivating OPC-inhibited AChE more efficiently than standard oximes and we describe the cooperative mechanism by which these functionalities are delivered to the active site. These discoveries, supported by preliminary in vivo results and crystallographic data,more » significantly broaden the available approaches for reactivation of AChE.« less

  3. The Microbiota and Abundance of the Class 1 Integron-Integrase Gene in Tropical Sewage Treatment Plant Influent and Activated Sludge

    PubMed Central

    Paiva, Magna C.; Ávila, Marcelo P.; Reis, Mariana P.; Costa, Patrícia S.; Nardi, Regina M. D.; Nascimento, Andréa M. A.

    2015-01-01

    Bacteria are assumed to efficiently remove organic pollutants from sewage in sewage treatment plants, where antibiotic-resistance genes can move between species via mobile genetic elements known as integrons. Nevertheless, few studies have addressed bacterial diversity and class 1 integron abundance in tropical sewage. Here, we describe the extant microbiota, using V6 tag sequencing, and quantify the class 1 integron-integrase gene (intI1) in raw sewage (RS) and activated sludge (AS). The analysis of 1,174,486 quality-filtered reads obtained from RS and AS samples revealed complex and distinct bacterial diversity in these samples. The RS sample, with 3,074 operational taxonomic units, exhibited the highest alpha-diversity indices. Among the 25 phyla, Proteobacteria, Bacteroidetes and Firmicutes represented 85% (AS) and 92% (RS) of all reads. Increased relative abundance of Micrococcales, Myxococcales, and Sphingobacteriales and reduced pathogen abundance were noted in AS. At the genus level, differences were observed for the dominant genera Simplicispira and Diaphorobacter (AS) as well as for Enhydrobacter (RS). The activated sludge process decreased (55%) the amount of bacteria harboring the intI1 gene in the RS sample. Altogether, our results emphasize the importance of biological treatment for diminishing pathogenic bacteria and those bearing the intI1 gene that arrive at a sewage treatment plant. PMID:26115093

  4. Computational and Statistical Analyses of Amino Acid Usage and Physico-Chemical Properties of the Twelve Late Embryogenesis Abundant Protein Classes

    PubMed Central

    Jaspard, Emmanuel; Macherel, David; Hunault, Gilles

    2012-01-01

    Late Embryogenesis Abundant Proteins (LEAPs) are ubiquitous proteins expected to play major roles in desiccation tolerance. Little is known about their structure - function relationships because of the scarcity of 3-D structures for LEAPs. The previous building of LEAPdb, a database dedicated to LEAPs from plants and other organisms, led to the classification of 710 LEAPs into 12 non-overlapping classes with distinct properties. Using this resource, numerous physico-chemical properties of LEAPs and amino acid usage by LEAPs have been computed and statistically analyzed, revealing distinctive features for each class. This unprecedented analysis allowed a rigorous characterization of the 12 LEAP classes, which differed also in multiple structural and physico-chemical features. Although most LEAPs can be predicted as intrinsically disordered proteins, the analysis indicates that LEAP class 7 (PF03168) and probably LEAP class 11 (PF04927) are natively folded proteins. This study thus provides a detailed description of the structural properties of this protein family opening the path toward further LEAP structure - function analysis. Finally, since each LEAP class can be clearly characterized by a unique set of physico-chemical properties, this will allow development of software to predict proteins as LEAPs. PMID:22615859

  5. Metabolomics and Ionomics of Potato Tuber Reveals an Influence of Cultivar and Market Class on Human Nutrients and Bioactive Compounds

    PubMed Central

    Chaparro, Jacqueline M.; Holm, David G.; Broeckling, Corey D.; Prenni, Jessica E.; Heuberger, Adam L.

    2018-01-01

    Potato (Solanum tuberosum L.) is an important global food crop that contains phytochemicals with demonstrated effects on human health. Understanding sources of chemical variation of potato tuber can inform breeding for improved health attributes of the cooked food. Here, a comprehensive metabolomics (UPLC- and GC-MS) and ionomics (ICP-MS) analysis of raw and cooked potato tuber was performed on 60 unique potato genotypes that span 5 market classes including russet, red, yellow, chip, and specialty potatoes. The analyses detected 2,656 compounds that included known bioactives (43 compounds), nutrients (42), lipids (76), and 23 metals. Most nutrients and bioactives were partially degraded during cooking (44 out of 85; 52%), however genotypes with high quantities of bioactives remained highest in the cooked tuber. Chemical variation was influenced by genotype and market class. Specifically, ~53% of all detected compounds from cooked potato varied among market class and 40% varied by genotype. The most notable metabolite profiles were observed in yellow-flesh potato which had higher levels of carotenoids and specialty potatoes which had the higher levels of chlorogenic acid as compared to the other market classes. Variation in several molecules with known association to health was observed among market classes and included vitamins (e.g., pyridoxal, ~2-fold variation), bioactives (e.g., chlorogenic acid, ~40-fold variation), medicinals (e.g., kukoamines, ~6-fold variation), and minerals (e.g., calcium, iron, molybdenum, ~2-fold variation). Furthermore, more metabolite variation was observed within market class than among market class (e.g., α-tocopherol, ~1-fold variation among market class vs. ~3-fold variation within market class). Taken together, the analysis characterized significant metabolite and mineral variation in raw and cooked potato tuber, and support the potential to breed new cultivars for improved health traits. PMID:29876353

  6. Bis-Cyclic-Guanidine as a Novel Class of Compounds Potent Against Clostridium Difficile.

    PubMed

    Li, Chunhui; Teng, Peng; Peng, Zhong; Sang, Peng; Sun, Xingmin; Cai, Jianfeng

    2018-05-16

    Clostridium difficile infection (CDI) symptoms range from diarrhea to severe toxic megacolon and even death. Due to its rapid acquisition of resistance, C. difficile is listed as an urgent antibiotic-resistant threat, and has surpassed methicillin-resistant Staphylococcus aureus (MRSA) as the most common hospital-acquired infections in the USA. To combat the pathogen, the new structural class of pseudo peptides that exhibit antimicrobial activities could play an important role. Herein, we report that bis-cyclic guanidine compounds that exhibit potent antibacterial activity against C. difficile with decent selectivity. Eight compounds showed high in vitro potency against C. difficile UK6 with MIC of 1.0 μg/mL, and cytotoxic selectivity index (SI) up to 37. Moreover, the most selective compound 13 is also effective upon the treatment of C. difficile-induced diseases in the mouse model of CDI, and appears to be a very promising new candidate for the treatment of CDI. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Water Table Depth Reconstruction in Ombrotrophic Peatlands Using Biomarker Abundance Ratios and Compound-Specific Hydrogen Isotope Composition

    NASA Astrophysics Data System (ADS)

    Nichols, J. E.; Jackson, S. T.; Booth, R. K.; Pendall, E. G.; Huang, Y.

    2005-12-01

    Sediment cores from ombrotrophic peat bogs provide sensitive records of changes in precipitation/evaporation (P/E) balance. Various proxies have been developed to reconstruct surface moisture conditions in peat bogs, including testate amoebae, plant macrofossils, and peat humification. Studying species composition of testate amoeba assemblages is time consuming and requires specialized training. Humification index can be influenced by environmental factors other than moisture balance. The plant macrofossil proxy is less quantitative and cannot be performed on highly decomposed samples. We demonstrate that the ratio of C23 alkane to C29 alkane abundance may provide a simple alternative or complementary means of tracking peatland water-table depth. Data for this proxy can be collected quickly using a small sample (100 mg dry). Water-table depth decreases during drought, and abundance of Sphagnum, the dominant peat-forming genus, decreases as vascular plants increase. Sphagnum moss produces mainly medium chain-length alkanes (C21-C25) while vascular plants (grasses and shrubs) produce primarily longer chain-length alkanes (C27-C31). Therefore, C23:C29 n-alkane ratios quantitatively track the water table depth fluctuations in peat bogs. We compared C23:C29 n-alkane ratios in a core from Minden Bog (southeastern Michigan) with water table depth reconstructions based on testate-amoeba assemblages and humification. The 184-cm core spans the past ~3kyr of continuous peat deposition in the bog. Our results indicate that the alkane ratios closely track the water table depth variations, with C29 most abundant during droughts. We also explored the use of D/H ratios in Sphagnum biomarkers as a water-table depth proxy. Compound-specific hydrogen isotope ratio analyses were performed on Sphagnum biomarkers: C23 and C25 alkane and C24 acid. Dry periods are represented in these records by an enrichment of deuterium in these Sphagnum-specific compounds. These events also correlate

  8. Regulation of Compound Leaf Development in Medicago truncatula by Fused Compound Leaf1, a Class M KNOX Gene[C][W

    PubMed Central

    Peng, Jianling; Yu, Jianbin; Wang, Hongliang; Guo, Yingqing; Li, Guangming; Bai, Guihua; Chen, Rujin

    2011-01-01

    Medicago truncatula is a legume species belonging to the inverted repeat lacking clade (IRLC) with trifoliolate compound leaves. However, the regulatory mechanisms underlying development of trifoliolate leaves in legumes remain largely unknown. Here, we report isolation and characterization of fused compound leaf1 (fcl1) mutants of M. truncatula. Phenotypic analysis suggests that FCL1 plays a positive role in boundary separation and proximal-distal axis development of compound leaves. Map-based cloning indicates that FCL1 encodes a class M KNOX protein that harbors the MEINOX domain but lacks the homeodomain. Yeast two-hybrid assays show that FCL1 interacts with a subset of Arabidopsis thaliana BEL1-like proteins with slightly different substrate specificities from the Arabidopsis homolog KNATM-B. Double mutant analyses with M. truncatula single leaflet1 (sgl1) and palmate-like pentafoliata1 (palm1) leaf mutants show that fcl1 is epistatic to palm1 and sgl1 is epistatic to fcl1 in terms of leaf complexity and that SGL1 and FCL1 act additively and are required for petiole development. Previous studies have shown that the canonical KNOX proteins are not involved in compound leaf development in IRLC legumes. The identification of FCL1 supports the role of a truncated KNOX protein in compound leaf development in M. truncatula. PMID:22080596

  9. Volatile compounds of dry beans (Phaseolus vulgaris L.).

    PubMed

    Oomah, B Dave; Liang, Lisa S Y; Balasubramanian, Parthiba

    2007-12-01

    Volatile compounds of uncooked dry bean (Phaseolus vulgaris L.) cultivars representing three market classes (black, dark red kidney and pinto) grown in 2005 were isolated with headspace solid phase microextraction (HS-SPME), and analyzed with gas chromatography mass spectrometry (GC-MS). A total of 62 volatiles consisting of aromatic hydrocarbons, aldehydes, alkanes, alcohols and ketones represented on average 62, 38, 21, 12, and 9 x 10(6) total area counts, respectively. Bean cultivars differed in abundance and profile of volatiles. The combination of 18 compounds comprising a common profile explained 79% of the variance among cultivars based on principal component analysis (PCA). The SPME technique proved to be a rapid and effective method for routine evaluation of dry bean volatile profile.

  10. Trace organic compounds in wet atmospheric deposition: an overview

    USGS Publications Warehouse

    Steinheimer, T.R.; Johnson, S.M.

    1987-01-01

    An overview of the occurrence of organic compounds in wet atmospheric deposition is given. Multiplicity of sources and problems associated with source identification are discussed. Available literature is reviewed by using citations from Chemical Abstracts and Water Resources Abstracts through June 1985 and includes reports published through December 1984 that summarize current knowledge. Approaches to the chemical determination of organic compounds in precipitation are examined in addition to aspects of sampling protocols. Best methods for sample collection and preparation for instrumental analysis continue to be discussed among various investigators. Automatic wet-deposition-only devices for collection and extraction are preferred. Classes of organic compounds that have been identified in precipitation include a spectrum of compounds with differing properties of acidity or basicity, polarity, and water solubility. Those compounds that have been reported in rainfall, snowfall, and ice include hydrocarbons (both aromatic and nonaromatic), chlorinated derivatives of these hydrocarbons, carbonyl compounds (both acidic and nonacidic), and carboxylic acids and esters. Formic and acetic are the most abundant organic acids present. Cloudwater, fogwater, and mist also have been collected and analyzed for organic composition.

  11. Phenolic compounds extracted by acidic aqueous ethanol from berries and leaves of different berry plants.

    PubMed

    Tian, Ye; Liimatainen, Jaana; Alanne, Aino-Liisa; Lindstedt, Anni; Liu, Pengzhan; Sinkkonen, Jari; Kallio, Heikki; Yang, Baoru

    2017-04-01

    Phenolic compounds of berries and leaves of thirteen various plant species were extracted with aqueous ethanol and analyzed with UPLC-DAD-ESI-MS, HPLC-DAD, and NMR. The total content of phenolics was consistently higher in leaves than in berries (25-7856 vs. 28-711mg/100g fresh weight). Sea buckthorn leaves were richest in phenolic compounds (7856mg/100g f.w.) with ellagitannins as the dominant compound class. Sea buckthorn berries contained mostly isorhamnetin glycosides, whereas quercetin glycosides were typically abundant in most samples investigated. Anthocyanins formed the dominating group of phenolics in most dark-colored berries but phenolic acid derivatives were equally abundant in saskatoon and chokeberry berries. Caffeoylquinic acids constituted 80% of the total phenolic content (1664mg/100g f.w.) in bilberry leaves. B-type procyanidins and caffeoylquinic acids were the major phenolic compounds in hawthorn and rowanberry, respectively. Use of leaves of some species with prunasin, tyramine and β-p-arbutin, may be limited in food applications. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Systematic assessment of scaffold hopping versus activity cliff formation across bioactive compound classes following a molecular hierarchy.

    PubMed

    Stumpfe, Dagmar; Dimova, Dilyana; Bajorath, Jürgen

    2015-07-01

    Scaffold hopping and activity cliff formation define opposite ends of the activity landscape feature spectrum. To rationalize these events at the level of scaffolds, active compounds involved in scaffold hopping were required to contain topologically distinct scaffolds but have only limited differences in potency, whereas compounds involved in activity cliffs were required to share the same scaffold but have large differences in potency. A systematic search was carried out for compounds involved in scaffold hopping and/or activity cliff formation. Results obtained for compound data sets covering more than 300 human targets revealed clear trends. If scaffolds represented multiple but fewer than 10 active compounds, nearly 90% of all scaffolds were exclusively involved in hopping events. With increasing compound coverage, the fraction of scaffolds involved in both scaffold hopping and activity cliff formation significantly increased to more than 50%. However, ∼40% of the scaffolds representing large numbers of active compounds continued to be exclusively involved in scaffold hopping. More than 200 scaffolds with broad target coverage were identified that consistently represented potent compounds and yielded an abundance of scaffold hops in the low-nanomolar range. These and other subsets of scaffolds we characterized are of prime interest for structure-activity relationship (SAR) exploration and compound design. Therefore, the complete scaffold classification generated in the course of our analysis is made freely available. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. Employment of Both Mn I and II Transitions to Determine the Abundance Trend and Ionization Balance in Three Stellar Evolutionary Classes

    NASA Astrophysics Data System (ADS)

    Sobeck, Jennifer; Den Hartog, B.; Lawler, J.; Sneden, C.

    2010-01-01

    Several prior investigations have repeatedly found that Manganese is under-abundant with respect to solar in metal-deficient stars. However a recent study, which employed a non-LTE approach/methodology, found that the [Mn/Fe] abundance ratio remains solar in the range -2.5 < [Fe/H] < 0 (results which stand in direct contrast to previous data). We will re-determine the [Mn/Fe] ratio over a large range of metallicity in a statistically significant sample consisting of stars from three evolutionary classes (dwarf, turnoff, and giant). We will employ new laboratory work (reported also at this meeting) to analyze the transitions of *both* the neutral (Mn I) and the first-ionized species (Mn II) in stellar spectra. We intend to determine the ionization equilibrium within each star and identify departures from LTE in each stellar group. We will explore the Mn abundance trend with metallicity and provide insight into its astrophysical origin (with special emphasis on the explosive nucleosynthetic contribution).

  14. Estimating abundance: Chapter 27

    USGS Publications Warehouse

    Royle, J. Andrew

    2016-01-01

    This chapter provides a non-technical overview of ‘closed population capture–recapture’ models, a class of well-established models that are widely applied in ecology, such as removal sampling, covariate models, and distance sampling. These methods are regularly adopted for studies of reptiles, in order to estimate abundance from counts of marked individuals while accounting for imperfect detection. Thus, the chapter describes some classic closed population models for estimating abundance, with considerations for some recent extensions that provide a spatial context for the estimation of abundance, and therefore density. Finally, the chapter suggests some software for use in data analysis, such as the Windows-based program MARK, and provides an example of estimating abundance and density of reptiles using an artificial cover object survey of Slow Worms (Anguis fragilis).

  15. Mass Spectrometry of Human Leukocyte Antigen Class I Peptidomes Reveals Strong Effects of Protein Abundance and Turnover on Antigen Presentation*

    PubMed Central

    Bassani-Sternberg, Michal; Pletscher-Frankild, Sune; Jensen, Lars Juhl; Mann, Matthias

    2015-01-01

    HLA class I molecules reflect the health state of cells to cytotoxic T cells by presenting a repertoire of endogenously derived peptides. However, the extent to which the proteome shapes the peptidome is still largely unknown. Here we present a high-throughput mass-spectrometry-based workflow that allows stringent and accurate identification of thousands of such peptides and direct determination of binding motifs. Applying the workflow to seven cancer cell lines and primary cells, yielded more than 22,000 unique HLA peptides across different allelic binding specificities. By computing a score representing the HLA-I sampling density, we show a strong link between protein abundance and HLA-presentation (p < 0.0001). When analyzing overpresented proteins – those with at least fivefold higher density score than expected for their abundance – we noticed that they are degraded almost 3 h faster than similar but nonpresented proteins (top 20% abundance class; median half-life 20.8h versus 23.6h, p < 0.0001). This validates protein degradation as an important factor for HLA presentation. Ribosomal, mitochondrial respiratory chain, and nucleosomal proteins are particularly well presented. Taking a set of proteins associated with cancer, we compared the predicted immunogenicity of previously validated T-cell epitopes with other peptides from these proteins in our data set. The validated epitopes indeed tend to have higher immunogenic scores than the other detected HLA peptides. Remarkably, we identified five mutated peptides from a human colon cancer cell line, which have very recently been predicted to be HLA-I binders. Altogether, we demonstrate the usefulness of combining MS-analysis with immunogenesis prediction for identifying, ranking, and selecting peptides for therapeutic use. PMID:25576301

  16. Understanding the tolerance of the industrial yeast Saccharomyces cerevisiae against a major class of toxic aldehyde compounds

    USDA-ARS?s Scientific Manuscript database

    Development of the next-generation biocatalyst is vital for fermentation-based industrial applications and a sustainable bio-based economy. Overcoming the major class of toxic compounds associated with lignocellulose-to-biofuels conversion is one of the significant challenges for new strain developm...

  17. Volatile and semivolatile organic compounds in laboratory ...

    EPA Pesticide Factsheets

    Speciated volatile organic compounds (VOCs) and organic fine particulate matter (PM2.5) mass emission factors were determined from laboratory peat fire experiments. Peat samples originated from two wildlife reserves located near the coast of North Carolina, U.S. Gas and particulate organics were quantified by gas chromatography/mass spectrometry and by high pressure liquid chromatography. Hazardous air pollutants (HAPs) accounted for a large fraction (~60 %) of the speciated VOC emissions from peat burning, including large contributions of acetaldehyde, formaldehyde, benzene, toluene, and chloromethane. Speciated organic PM2.5 mass was dominated by the following compound classes: organic acids, levoglucosan, n-alkanes, and n-alkenes. Emission factors for PM2.5 organic acids including n-alkanoic acids, n-alkenoic acids, n-alkanedioic acids, and aromatic acids were reported for the first time for peat burning, representing the largest fraction of organic carbon (OC) mass (11-12 %) of all speciated compound classes measured in this work. Levoglucosan contributed 2-3 % of the OC mass, while methoxyphenols represented 0.2-0.3 % of the OC mass on a carbon mass basis. Retene was the most abundant particulate phase polycyclic aromatic hydrocarbon. Total HAP VOC and particulate polycyclic aromatic hydrocarbon emissions from a 2008 peat wildfire in North Carolina were estimated, suggesting that peat fires can contribute a large fraction of state-wide HAP emissions. This p

  18. Phenolic root exudate and tissue compounds vary widely among temperate forest tree species and have contrasting effects on soil microbial respiration.

    PubMed

    Zwetsloot, Marie J; Kessler, André; Bauerle, Taryn L

    2018-04-01

    Root-soil interactions fundamentally affect the terrestrial carbon (C) cycle and thereby ecosystem feedbacks to climate change. This study addressed the question of whether the secondary metabolism of different temperate forest tree species can affect soil microbial respiration. We hypothesized that phenolics can both increase and decrease respiration depending on their function as food source, mobilizer of other soil resources, signaling compound, or toxin. We analyzed the phenolic compounds from root exudates and root tissue extracts of six tree species grown in a glasshouse using high-performance liquid chromatography. We then tested the effect of individual phenolic compounds, representing the major identified phenylpropanoid compound classes, on microbial respiration through a 5-d soil incubation. Phenolic root profiles were highly species-specific. Of the eight classes identified, flavonoids were the most abundant, with flavanols being the predominating sub-class. Phenolic effects on microbial respiration ranged from a 26% decrease to a 46% increase, with reduced respiration occurring in the presence of compounds possessing a catechol ring. Tree species variation in root phenolic composition influences the magnitude and direction of root effects on microbial respiration. Our data support the hypothesis that functional group rather than biosynthetic class determines the root phenolic effect on soil C cycling. © 2018 The Authors. New Phytologist © 2018 New Phytologist Trust.

  19. Potential impurities in drug substances: Compound-specific toxicology limits for 20 synthetic reagents and by-products, and a class-specific toxicology limit for alkyl bromides.

    PubMed

    Bercu, J P; Galloway, S M; Parris, P; Teasdale, A; Masuda-Herrera, M; Dobo, K; Heard, P; Kenyon, M; Nicolette, J; Vock, E; Ku, W; Harvey, J; White, A; Glowienke, S; Martin, E A; Custer, L; Jolly, R A; Thybaud, V

    2018-04-01

    This paper provides compound-specific toxicology limits for 20 widely used synthetic reagents and common by-products that are potential impurities in drug substances. In addition, a 15 μg/day class-specific limit was developed for monofunctional alkyl bromides, aligning this with the class-specific limit previously defined for monofunctional alkyl chlorides. Both the compound- and class-specific toxicology limits assume a lifetime chronic exposure for the general population (including sensitive subpopulations) by all routes of exposure for pharmaceuticals. Inhalation-specific toxicology limits were also derived for acrolein, formaldehyde, and methyl bromide because of their localized toxicity via that route. Mode of action was an important consideration for a compound-specific toxicology limit. Acceptable intake (AI) calculations for certain mutagenic carcinogens assumed a linear dose-response for tumor induction, and permissible daily exposure (PDE) determination assumed a non-linear dose-response. Several compounds evaluated have been previously incorrectly assumed to be mutagenic, or to be mutagenic carcinogens, but the evidence reported here for such compounds indicates a lack of mutagenicity, and a non-mutagenic mode of action for tumor induction. For non-mutagens with insufficient data to develop a toxicology limit, the ICH Q3A qualification thresholds are recommended. The compound- and class-specific toxicology limits described here may be adjusted for an individual drug substance based on treatment duration, dosing schedule, severity of the disease and therapeutic indication. Copyright © 2018. Published by Elsevier Inc.

  20. Automated compound classification using a chemical ontology.

    PubMed

    Bobach, Claudia; Böhme, Timo; Laube, Ulf; Püschel, Anett; Weber, Lutz

    2012-12-29

    Classification of chemical compounds into compound classes by using structure derived descriptors is a well-established method to aid the evaluation and abstraction of compound properties in chemical compound databases. MeSH and recently ChEBI are examples of chemical ontologies that provide a hierarchical classification of compounds into general compound classes of biological interest based on their structural as well as property or use features. In these ontologies, compounds have been assigned manually to their respective classes. However, with the ever increasing possibilities to extract new compounds from text documents using name-to-structure tools and considering the large number of compounds deposited in databases, automated and comprehensive chemical classification methods are needed to avoid the error prone and time consuming manual classification of compounds. In the present work we implement principles and methods to construct a chemical ontology of classes that shall support the automated, high-quality compound classification in chemical databases or text documents. While SMARTS expressions have already been used to define chemical structure class concepts, in the present work we have extended the expressive power of such class definitions by expanding their structure-based reasoning logic. Thus, to achieve the required precision and granularity of chemical class definitions, sets of SMARTS class definitions are connected by OR and NOT logical operators. In addition, AND logic has been implemented to allow the concomitant use of flexible atom lists and stereochemistry definitions. The resulting chemical ontology is a multi-hierarchical taxonomy of concept nodes connected by directed, transitive relationships. A proposal for a rule based definition of chemical classes has been made that allows to define chemical compound classes more precisely than before. The proposed structure-based reasoning logic allows to translate chemistry expert knowledge into a

  1. Automated compound classification using a chemical ontology

    PubMed Central

    2012-01-01

    Background Classification of chemical compounds into compound classes by using structure derived descriptors is a well-established method to aid the evaluation and abstraction of compound properties in chemical compound databases. MeSH and recently ChEBI are examples of chemical ontologies that provide a hierarchical classification of compounds into general compound classes of biological interest based on their structural as well as property or use features. In these ontologies, compounds have been assigned manually to their respective classes. However, with the ever increasing possibilities to extract new compounds from text documents using name-to-structure tools and considering the large number of compounds deposited in databases, automated and comprehensive chemical classification methods are needed to avoid the error prone and time consuming manual classification of compounds. Results In the present work we implement principles and methods to construct a chemical ontology of classes that shall support the automated, high-quality compound classification in chemical databases or text documents. While SMARTS expressions have already been used to define chemical structure class concepts, in the present work we have extended the expressive power of such class definitions by expanding their structure-based reasoning logic. Thus, to achieve the required precision and granularity of chemical class definitions, sets of SMARTS class definitions are connected by OR and NOT logical operators. In addition, AND logic has been implemented to allow the concomitant use of flexible atom lists and stereochemistry definitions. The resulting chemical ontology is a multi-hierarchical taxonomy of concept nodes connected by directed, transitive relationships. Conclusions A proposal for a rule based definition of chemical classes has been made that allows to define chemical compound classes more precisely than before. The proposed structure-based reasoning logic allows to translate

  2. A general class of multinomial mixture models for anuran calling survey data

    USGS Publications Warehouse

    Royle, J. Andrew; Link, W.A.

    2005-01-01

    We propose a general framework for modeling anuran abundance using data collected from commonly used calling surveys. The data generated from calling surveys are indices of calling intensity (vocalization of males) that do not have a precise link to actual population size and are sensitive to factors that influence anuran behavior. We formulate a model for calling-index data in terms of the maximum potential calling index that could be observed at a site (the 'latent abundance class'), given its underlying breeding population, and we focus attention on estimating the distribution of this latent abundance class. A critical consideration in estimating the latent structure is imperfect detection, which causes the observed abundance index to be less than or equal to the latent abundance class. We specify a multinomial sampling model for the observed abundance index that is conditional on the latent abundance class. Estimation of the latent abundance class distribution is based on the marginal likelihood of the index data, having integrated over the latent class distribution. We apply the proposed modeling framework to data collected as part of the North American Amphibian Monitoring Program (NAAMP).

  3. Volatile and semivolatile organic compounds in laboratory peat fire emissions

    NASA Astrophysics Data System (ADS)

    George, Ingrid J.; Black, Robert R.; Geron, Chris D.; Aurell, Johanna; Hays, Michael D.; Preston, William T.; Gullett, Brian K.

    2016-05-01

    In this study, volatile and semi-volatile organic compound (VOCs and SVOCs) mass emission factors were determined from laboratory peat fire experiments. The peat samples originated from two National Wildlife Refuges on the coastal plain of North Carolina, U.S.A. Gas- and particle-phase organic compounds were quantified by gas chromatography-mass spectrometry and by high pressure liquid chromatography. Hazardous air pollutants (HAPs) accounted for a large fraction (∼60%) of the speciated VOC emissions from peat burning, including large contributions of acetaldehyde, formaldehyde, benzene, toluene, and chloromethane. In the fine particle mass (PM2.5), the following organic compound classes were dominant: organic acids, levoglucosan, n-alkanes, and n-alkenes. Emission factors for the organic acids in PM2.5 including n-alkanoic acids, n-alkenoic acids, n-alkanedioic acids, and aromatic acids were reported for the first time for peat burning, representing the largest fraction of organic carbon (OC) mass (11-12%) of all speciated compound classes measured in this work. Levoglucosan contributed to 2-3% of the OC mass, while methoxyphenols represented 0.2-0.3% of the OC mass on a carbon mass basis. Retene was the most abundant particulate phase polycyclic aromatic hydrocarbon (PAH). Total HAP VOC and particulate PAH emissions from a 2008 peat wildfire in North Carolina were estimated, suggesting that peat fires can contribute a large fraction of state-wide HAP emissions.

  4. Microwave (MW) promoted high yield expedient synthesis of steryl ferulates--A class of novel biologically active compounds: A comparative study of their antioxidant activity with that of naturally occurring γ-oryzanol.

    PubMed

    Begum, Ashma; Borah, Preetismita; Chowdhury, Pritish

    2016-03-01

    Synthetic steryl ferulates [3-O-(trans-4-feruloyl)-sterols] are currently gaining considerable importance in recent years to be used as nutraceuticals and food additives as well as in pharmaceutical applications substituting γ-oryzanol - a class of naturally occurring steryl ferulates having potent antioxidant and other organoleptic properties. Considering the importance of this class of compounds coupled with green technology associated with microwave energy (MW) in organic synthesis, we report here an expedited and high yield synthesis of steryl ferulates from abundant steroids, viz., cholesterol, cholestanol, stigmasterol, stigmastanol, β-sitosterol, β-campesterol, β-campestanol and ergosterol applying MW energy in the crucial step of esterification process of sterols with trans-4-O-acetylferulic acid to furnish their esterified products, viz., 3-O-(trans-4-O-acetylferuloyl)-sterols for their eventual deprotection to their respective steryl ferulates. We further report an efficient and scalable process of producing acetylferulic acid. Testing of synthesized steryl ferulates against antioxidant assays has also been highlighted. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. High Throughput Screening for Compounds That Alter Muscle Cell Glycosylation Identifies New Role for N-Glycans in Regulating Sarcolemmal Protein Abundance and Laminin Binding*

    PubMed Central

    Cabrera, Paula V.; Pang, Mabel; Marshall, Jamie L.; Kung, Raymond; Nelson, Stanley F.; Stalnaker, Stephanie H.; Wells, Lance; Crosbie-Watson, Rachelle H.; Baum, Linda G.

    2012-01-01

    Duchenne muscular dystrophy is an X-linked disorder characterized by loss of dystrophin, a cytoskeletal protein that connects the actin cytoskeleton in skeletal muscle cells to extracellular matrix. Dystrophin binds to the cytoplasmic domain of the transmembrane glycoprotein β-dystroglycan (β-DG), which associates with cell surface α-dystroglycan (α-DG) that binds laminin in the extracellular matrix. β-DG can also associate with utrophin, and this differential association correlates with specific glycosylation changes on α-DG. Genetic modification of α-DG glycosylation can promote utrophin binding and rescue dystrophic phenotypes in mouse dystrophy models. We used high throughput screening with the plant lectin Wisteria floribunda agglutinin (WFA) to identify compounds that altered muscle cell surface glycosylation, with the goal of finding compounds that increase abundance of α-DG and associated sarcolemmal glycoproteins, increase utrophin usage, and increase laminin binding. We identified one compound, lobeline, from the Prestwick library of Food and Drug Administration-approved compounds that fulfilled these criteria, increasing WFA binding to C2C12 cells and to primary muscle cells from wild type and mdx mice. WFA binding and enhancement by lobeline required complex N-glycans but not O-mannose glycans that bind laminin. However, inhibiting complex N-glycan processing reduced laminin binding to muscle cell glycoproteins, although O-mannosylation was intact. Glycan analysis demonstrated a general increase in N-glycans on lobeline-treated cells rather than specific alterations in cell surface glycosylation, consistent with increased abundance of multiple sarcolemmal glycoproteins. This demonstrates the feasibility of high throughput screening with plant lectins to identify compounds that alter muscle cell glycosylation and identifies a novel role for N-glycans in regulating muscle cell function. PMID:22570487

  6. A new multidimensional stoichiometric classification of compounds: moving beyond the van Krevelen diagram.

    NASA Astrophysics Data System (ADS)

    Rivas-Ubach, A.; Liu, Y.; Bianchi, T. S.; Tolic, N.; Jansson, C.; Paša-Tolić, L.

    2017-12-01

    The role of nutrients in organisms, especially primary producers, has been a topic of special interest in ecosystem research for understanding the ecosystem structure and function. The majority of macro-elements in organisms, such as C, H, O, N and P, do not act as single elements but are components of organic compounds (lipids, peptides, carbohydrates, etc), which are more directly related to the physiology of organisms and thus to the ecosystem function. However, accurately deciphering the overall content of the main compound classes (lipids, proteins, carbohydrates,…) in organisms is still a major challenge. van Krevelen (vK) diagrams have been widely used as an estimation of the main compound categories present in environmental samples based on O:C vs H:C molecular ratios, but a stoichiometric classification based exclusively on O:C and H:C ratios is feeble. Different compound classes show large O:C and H:C ratio overlapping and other heteroatoms, such as N and P, should be considered to robustly distinguish the different classes. We propose a new compound classification for biological/environmental samples based on the C:H:O:N:P stoichiometric ratios of thousands of molecular formulas of characterized compounds from 6 different main categories: lipids, peptides, amino-sugars, carbohydrates, nucleotides and phytochemical compounds (oxy-aromatic compounds). This new multidimensional stoichiometric compound constraints classification (MSCC) can be applied to data obtained with high resolution mass spectrometry (HRMS), allowing an accurate overview of the relative abundances of the main compound categories present in organismal samples. The MSCC has been optimized for plants, but it could be also applied to different organisms and serve as a strong starting point to further investigate other environmental complex matrices (soils, aerosols, etc). The proposed MSCC advances environmental research, especially eco-metabolomics, ecophysiology and ecological

  7. Discrete structural features among interface residue-level classes.

    PubMed

    Sowmya, Gopichandran; Ranganathan, Shoba

    2015-01-01

    Protein-protein interaction (PPI) is essential for molecular functions in biological cells. Investigation on protein interfaces of known complexes is an important step towards deciphering the driving forces of PPIs. Each PPI complex is specific, sensitive and selective to binding. Therefore, we have estimated the relative difference in percentage of polar residues between surface and the interface for each complex in a non-redundant heterodimer dataset of 278 complexes to understand the predominant forces driving binding. Our analysis showed ~60% of protein complexes with surface polarity greater than interface polarity (designated as class A). However, a considerable number of complexes (~40%) have interface polarity greater than surface polarity, (designated as class B), with a significantly different p-value of 1.66E-45 from class A. Comprehensive analyses of protein complexes show that interface features such as interface area, interface polarity abundance, solvation free energy gain upon interface formation, binding energy and the percentage of interface charged residue abundance distinguish among class A and class B complexes, while electrostatic visualization maps also help differentiate interface classes among complexes. Class A complexes are classical with abundant non-polar interactions at the interface; however class B complexes have abundant polar interactions at the interface, similar to protein surface characteristics. Five physicochemical interface features analyzed from the protein heterodimer dataset are discriminatory among the interface residue-level classes. These novel observations find application in developing residue-level models for protein-protein binding prediction, protein-protein docking studies and interface inhibitor design as drugs.

  8. Discrete structural features among interface residue-level classes

    PubMed Central

    2015-01-01

    Background Protein-protein interaction (PPI) is essential for molecular functions in biological cells. Investigation on protein interfaces of known complexes is an important step towards deciphering the driving forces of PPIs. Each PPI complex is specific, sensitive and selective to binding. Therefore, we have estimated the relative difference in percentage of polar residues between surface and the interface for each complex in a non-redundant heterodimer dataset of 278 complexes to understand the predominant forces driving binding. Results Our analysis showed ~60% of protein complexes with surface polarity greater than interface polarity (designated as class A). However, a considerable number of complexes (~40%) have interface polarity greater than surface polarity, (designated as class B), with a significantly different p-value of 1.66E-45 from class A. Comprehensive analyses of protein complexes show that interface features such as interface area, interface polarity abundance, solvation free energy gain upon interface formation, binding energy and the percentage of interface charged residue abundance distinguish among class A and class B complexes, while electrostatic visualization maps also help differentiate interface classes among complexes. Conclusions Class A complexes are classical with abundant non-polar interactions at the interface; however class B complexes have abundant polar interactions at the interface, similar to protein surface characteristics. Five physicochemical interface features analyzed from the protein heterodimer dataset are discriminatory among the interface residue-level classes. These novel observations find application in developing residue-level models for protein-protein binding prediction, protein-protein docking studies and interface inhibitor design as drugs. PMID:26679043

  9. High-precision optical measurements of 13C/12C isotope ratios in organic compounds at natural abundance

    PubMed Central

    Zare, Richard N.; Kuramoto, Douglas S.; Haase, Christa; Tan, Sze M.; Crosson, Eric R.; Saad, Nabil M. R.

    2009-01-01

    A continuous-flow cavity ring-down spectroscopy (CRDS) system integrating a chromatographic separation technique, a catalytic combustor, and an isotopic 13C/12C optical analyzer is described for the isotopic analysis of a mixture of organic compounds. A demonstration of its potential is made for the geochemically important class of short-chain hydrocarbons. The system proved to be linear over a 3-fold injection volume dynamic range with an average precision of 0.95‰ and 0.67‰ for ethane and propane, respectively. The calibrated accuracy for methane, ethane, and propane is within 3‰ of the values determined using isotope ratio mass spectrometry (IRMS), which is the current method of choice for compound-specific isotope analysis. With anticipated improvements, the low-cost, portable, and easy-to-use CRDS-based instrumental setup is poised to evolve into a credible challenge to the high-cost and complex IRMS-based technique. PMID:19564619

  10. Linking Carbonic Anhydrase Abundance and Diversity in Soils to Ecological Function

    NASA Astrophysics Data System (ADS)

    Pang, E.; Meredith, L. K.; Welander, P. V.

    2015-12-01

    Carbonic anhydrase (CA) is an ancient enzyme widespread among bacteria, archaea, and eukarya that catalyzes the following reaction: CO2 + H2O ⇌ HCO3- + H+. Its functions are critical for key cellular processes such as concentrating CO2 for autotrophic growth, pH regulation, and pathogen survival in hosts. Currently, there are six known CA classes (α, β, γ, δ, η, ζ) arising from several distinct evolutionary lineages. CA are widespread in sequenced genomes, with many organisms containing multiple classes of CA or multiple CA of the same class. Soils host rich microbial communities with diverse and important ecological functions, but the diversity and abundance of CA in soils has not been explored. CA appears to play an important, but poorly understood, role in some biogeochemical cycles such as those of CO2 and its oxygen isotope composition and also carbonyl sulfide (COS), which are potential tracers in predictive carbon cycle models. Recognizing the prevalence and functional significance of CA in soils, we used a combined bioinformatics and molecular biology approach to address fundamental questions regarding the abundance, diversity, and function of CA in soils. To characterize the abundance and diversity of the different CA classes in soils, we analyzed existing soil metagenomic and metatranscriptomic data from the DOE Joint Genome Institute databases. Out of the six classes of CA, we only found the α, β, and γ classes to be present in soils, with the β class being the most abundant. We also looked at genomes of sequenced soil microorganisms to learn what combination of CA classes they contain, from which we can begin to predict the physiological role of CA. To characterize the functional roles of the different CA classes in soils, we collected soil samples from a variety of biomes with diverse chemical and physical properties and quantified the rate of two CA-mediated processes: soil uptake of COS and acceleration of the oxygen isotope exchange

  11. Analysis of organic gas phase compounds formed by hydrothermal liquefaction of Dried Distillers Grains with Solubles.

    PubMed

    Madsen, René B; Christensen, Per S; Houlberg, Kasper; Lappa, Elpiniki; Mørup, Anders J; Klemmer, Maika; Olsen, Eva M; Jensen, Mads M; Becker, Jacob; Iversen, Bo B; Glasius, Marianne

    2015-09-01

    This work provides a comprehensive characterization of the gas phase from hydrothermal liquefaction of Dried Distillers Grains with Solubles (DDGS) collected during a 24-h continuous experiment. The gas consisted mainly of CO2, CO, H2, CH4 and C2H6 accounting for 96 v/v% while further analysis by gas chromatography coupled to mass spectrometry (GC-MS) showed additionally 62 compounds of which 54 were tentatively identified. These products included methanethiol, dimethyl sulfide, various olefins and several aromatic compounds. The composition provided clear indication of the steady state of the system. Apart from CO2, olefins were the most abundant compound class and could provide a source of revenue. Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Class 1 Integrons and the Antiseptic Resistance Gene (qacEΔ1) in Municipal and Swine Slaughterhouse Wastewater Treatment Plants and Wastewater—Associated Methicillin-Resistant Staphylococcus aureus

    PubMed Central

    Wan, Min Tao; Chou, Chin Cheng

    2015-01-01

    Class 1 integrons are mobile gene elements (MGEs) containing qacEΔ1 that are resistant to quaternary ammonium compound (QAC) disinfectants. This study compared the abundances of class 1 integrons and antiseptic resistance genes in municipal (M) and swine slaughterhouse (S) wastewater treatment plants (WWTPs) and investigated the presence of class 1 integrons and antiseptic resistance genes in methicillin-resistant Staphylococcus aureus (MRSA) isolated from wastewater samples. The abundances of intI1 and qacEΔ1 genes in 96 wastewater samples were quantified using real-time quantitative polymerase chain reaction (real-time qPCR), and 113 MRSA isolates recovered from the wastewater samples were detected class 1 integrons and linked antiseptic resistance genes (qacEΔ1), and minimum inhibitory concentrations (MICs) for QAC antiseptics. The intI1 and qacEΔ1 genes were detected in all the wastewater samples, and they were more abundant in S-WWTP samples than in M-WWTP samples. A higher percentage of MRSA isolates carried qacEΔ1 in MRSA from swine wastewater samples (62.8%) than in municipal MRSA (3.7%). All the MRSA isolates showed high MICs for antiseptic agents. This study provides important evidence regarding the abundances of intI1 and qacEΔ1 genes in municipal and swine slaughterhouse wastewater, and antiseptic-resistant MRSA strains were detected in swine slaughterhouse wastewater. PMID:26042365

  13. Class 1 Integrons and the Antiseptic Resistance Gene (qacEΔ1) in Municipal and Swine Slaughterhouse Wastewater Treatment Plants and Wastewater-Associated Methicillin-Resistant Staphylococcus aureus.

    PubMed

    Wan, Min Tao; Chou, Chin Cheng

    2015-06-02

    Class 1 integrons are mobile gene elements (MGEs) containing qacEΔ1 that are resistant to quaternary ammonium compound (QAC) disinfectants. This study compared the abundances of class 1 integrons and antiseptic resistance genes in municipal (M) and swine slaughterhouse (S) wastewater treatment plants (WWTPs) and investigated the presence of class 1 integrons and antiseptic resistance genes in methicillin-resistant Staphylococcus aureus (MRSA) isolated from wastewater samples. The abundances of intI1 and qacEΔ1 genes in 96 wastewater samples were quantified using real-time quantitative polymerase chain reaction (real-time qPCR), and 113 MRSA isolates recovered from the wastewater samples were detected class 1 integrons and linked antiseptic resistance genes (qacEΔ1), and minimum inhibitory concentrations (MICs) for QAC antiseptics. The intI1 and qacEΔ1 genes were detected in all the wastewater samples, and they were more abundant in S-WWTP samples than in M-WWTP samples. A higher percentage of MRSA isolates carried qacEΔ1 in MRSA from swine wastewater samples (62.8%) than in municipal MRSA (3.7%). All the MRSA isolates showed high MICs for antiseptic agents. This study provides important evidence regarding the abundances of intI1 and qacEΔ1 genes in municipal and swine slaughterhouse wastewater, and antiseptic-resistant MRSA strains were detected in swine slaughterhouse wastewater.

  14. Estrogenic compounds decrease growth hormone receptor abundance and alter osmoregulation in Atlantic salmon

    USGS Publications Warehouse

    Lerner, Darren T.; Sheridan, Mark A.; McCormick, Stephen D.

    2012-01-01

    Exposure of Atlantic salmon smolts to estrogenic compounds is shown to compromise several aspects of smolt development. We sought to determine the underlying endocrine mechanisms of estrogen impacts on the growth hormone (GH)/insulin-like growth factor I (IGF-I) axis. Smolts in freshwater (FW) were either injected 3 times over 10 days with 2 μg g−1 17β-estradiol (E2) or 150 μg g−1 4-nonylphenol (NP). Seawater (SW)-acclimated fish received intraperitoneal implants of 30 μg g−1 E2 over two weeks. Treatment with these estrogenic compounds increased hepatosomatic index and total plasma calcium. E2 and NP reduced maximum growth hormone binding by 30–60% in hepatic and branchial membranes in FW and SW, but did not alter the dissociation constant. E2 and NP treatment decreased plasma levels of IGF-I levels in both FW and SW. In FW E2 and NP decreased plasma GH whereas in SW plasma GH increased after E2 treatment. Compared to controls, plasma chloride concentrations of E2-treated fish were decreased 5.5 mM in FW and increased 10.5 mM in SW. There was no effect of NP or E2 on gill sodium–potassium adenosine triphosphatase (Na+/K+-ATPase) activity in FW smolts, whereas E2 treatment in SW reduced gill Na+/K+-ATPase activity and altered the number and size of ionocytes. Our data indicate that E2 downregulates the GH/IGF-I-axis and SW tolerance which may be part of its normal function for reproduction and movement into FW. We conclude that the mechanism of endocrine disruption of smolt development by NP is in part through alteration of the GH/IGF-I axis via reduced GH receptor abundance.

  15. Divergent patterns of abundance and age-class structure of headwater stream tadpoles in burned and unburned watersheds

    USGS Publications Warehouse

    Hossack, B.R.; Corn, P.S.; Fagre, D.B.

    2006-01-01

    Wildfire is a potential threat to many species with narrow environmental tolerances like the Rocky Mountain tailed frog (Ascaphus montanus Mittleman and Myers, 1949), which inhabits a region where the frequency and intensity of wildfires are expected to increase. We compared pre- and post-fire counts of tadpoles in eight streams in northwestern Montana to determine the effects of wildfire on A. montanus. All streams were initially sampled in 2001, 2 years before four of them burned in a large wildfire, and were resampled during the 2 years following the fire. Counts of tadpoles were similar in the two groups of streams before the fire. After the fire, tadpoles were almost twice as abundant in unburned streams than in burned streams. The fire seemed to have the greatest negative effect on abundance of age-1 tadpoles, which was reflected in the greater variation in same-stream age-class structure compared with those in unburned streams. Despite the apparent effect on tadpoles, we do not expect the wildfire to be an extirpation threat to populations in the streams that we sampled. Studies spanning a chronosequence of fires, as well as in other areas, are needed to assess the effects of fires on streams with A. montanus and to determine the severity and persistence of these effects.

  16. Development of volatile compounds during the manufacture of dry-cured "lacón," a Spanish traditional meat product.

    PubMed

    Purriños, Laura; Bermúdez, Roberto; Franco, Daniel; Carballo, Javier; Lorenzo, José M

    2011-01-01

    Volatile compounds were determined throughout the manufacture of dry-cured "lacón," a traditional dry-salted, and ripened meat product made in the north-west of Spain from the foreleg of the pig following a similar process to that of dry-cured ham. Volatiles were extracted by a purge-and-trap method and analyzed by gas chromatographic/mass spectrometry. One hundred and two volatile compounds were identified. In raw material, only 34 volatile compounds were found and at very low levels. The number of volatile compounds increased during processing. The substances identified belonged to several chemical classes: aldehydes (23), alcohols (9), ketones (15), hydrocarbons (37), esters (4), acids (3), furans (4), sulphur compounds (1), chloride compounds (1), and other compounds (4). Results indicated that the most abundant chemical family in flavor at the end of the manufacturing process was aldehydes, followed by hydrocarbons and ketones. Lipids were the most important precursor of flavor compounds of dry-cured "lacón."

  17. Surfactants tailored by the class Actinobacteria

    PubMed Central

    Kügler, Johannes H.; Le Roes-Hill, Marilize; Syldatk, Christoph; Hausmann, Rudolf

    2015-01-01

    Globally the change towards the establishment of a bio-based economy has resulted in an increased need for bio-based applications. This, in turn, has served as a driving force for the discovery and application of novel biosurfactants. The class Actinobacteria represents a vast group of microorganisms with the ability to produce a diverse range of secondary metabolites, including surfactants. Understanding the extensive nature of the biosurfactants produced by actinobacterial strains can assist in finding novel biosurfactants with new potential applications. This review therefore presents a comprehensive overview of the knowledge available on actinobacterial surfactants, the chemical structures that have been completely or partly elucidated, as well as the identity of the biosurfactant-producing strains. Producer strains of not yet elucidated compounds are discussed, as well as the original habitats of all the producer strains, which seems to indicate that biosurfactant production is environmentally driven. Methodology applied in the isolation, purification and structural elucidation of the different types of surface active compounds, as well as surfactant activity tests, are also discussed. Overall, actinobacterial surfactants can be summarized to include the dominantly occurring trehalose-comprising surfactants, other non-trehalose containing glycolipids, lipopeptides and the more rare actinobacterial surfactants. The lack of structural information on a large proportion of actinobacterial surfactants should be considered as a driving force to further explore the abundance and diversity of these compounds. This would allow for a better understanding of actinobacterial surface active compounds and their potential for biotechnological application. PMID:25852670

  18. Characterization of traditional Istrian dry-cured ham by means of physical and chemical analyses and volatile compounds.

    PubMed

    Marušić, Nives; Petrović, Marinko; Vidaček, Sanja; Petrak, Tomislav; Medić, Helga

    2011-08-01

    The aroma-active compounds of Istrian dry-cured ham were investigated by using headspace-solid phase microextraction and gas chromatography-mass spectrometry (GC-MS). Samples of biceps femoris were also evaluated by measuring physical and chemical characteristics: moisture, protein, fat, ash and NaCl content, a(w) value; colour: L*, a*, b* and oxidation of fat: TBARS test. About 50 volatile compounds were identified and quantified which belonged to several classes of chemical: 5 alcohols, 8 aldehydes, 7 alkanes, 1 ketone, 2 esters, 9 monoterpenes and 15 sesquiterpenes. Except volatile compounds derived from lipolysis and proteolysis the most abundant constituents were terpenes (62.97; 41.43%) that originate from spices added in the salting phase of the production process. Copyright © 2011 Elsevier Ltd. All rights reserved.

  19. Development of "one-pot" method for multi-class compounds in porcine formula feed by multi-function impurity adsorption cleaning followed ultra-performance liquid chromatography-tandem mass spectrometry detection.

    PubMed

    Wang, Peilong; Wang, Xiao; Zhang, Wei; Su, Xiaoou

    2014-02-01

    A novel and efficient determination method for multi-class compounds including β-agonists, sedatives, nitro-imidazoles and aflatoxins in porcine formula feed based on a fast "one-pot" extraction/multifunction impurity adsorption (MFIA) clean-up procedure has been developed. 23 target analytes belonging to four different class compounds could be determined simultaneously in a single run. Conditions for "one-pot" extraction were studied in detail. Under the optimized conditions, the multi-class compounds in porcine formula feed samples were extracted and purified with methanol contained ammonia and absorbents by one step. The compounds in extracts were purified by using multi types of absorbent based on MFIA in one pot. The multi-walled carbon nanotubes were employed to improved clean-up efficiency. Shield BEH C18 column was used to separate 23 target analytes, followed by tandem mass spectrometry (MS/MS) detection using an electro-spray ionization source in positive mode. Recovery studies were done at three fortification levels. Overall average recoveries of target compounds in porcine formula feed at each levels were >51.6% based on matrix fortified calibration with coefficients of variation from 2.7% to 13.2% (n=6). The limit of determination (LOD) of these compounds in porcine formula feed sample matrix was <5.0 μg/kg. This method was successfully applied in screening and confirmation of target drugs in >30 porcine formula feed samples. It was demonstrated that the integration of the MFIA protocol with the MS/MS instrument could serve as a valuable strategy for rapid screening and reliable confirmatory analysis of multi-class compounds in real samples. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. Tetrylones: An Intriguing Class of Monoatomic Zero-valent Group 14 Compounds.

    PubMed

    Majhi, Paresh Kumar; Sasamori, Takahiro

    2018-02-13

    Tetrylones (ylidones) represent a class of zero-valent group 14 compounds with the general formula EL 2 (E=C, Si, Ge, Sn, or Pb; L=neutral σ-donating ligand), wherein the tetrel atom, E(0), possess its four valence electrons in the form of two electron lone pairs, and is moreover coordinated by two ligands (L) via donor-acceptor interactions (L→E←L). This review focuses on the synthesis, structure, reactivity, and computational examination of the isolable heavier tetrylones (Si, Ge, Sn) that have been discovered recently. A comprehensive review on carbone chemistry is beyond the scope of this review. It should also be noted that tetrylones contain two different types of lone pairs, that is, one that exhibits p-type and one that exhibits s-type characteristics. Different behavior should thus be expected when these lone pairs react with Lewis acids. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Mutagenic Azo Dyes, Rather Than Flame Retardants, Are the Predominant Brominated Compounds in House Dust.

    PubMed

    Peng, Hui; Saunders, David M V; Sun, Jianxian; Jones, Paul D; Wong, Chris K C; Liu, Hongling; Giesy, John P

    2016-12-06

    Characterization of toxicological profiles by use of traditional targeted strategies might underestimate the risk of environmental mixtures. Unbiased identification of prioritized compounds provides a promising strategy for meeting regulatory needs. In this study, untargeted screening of brominated compounds in house dust was conducted using a data-independent precursor isolation and characteristic fragment (DIPIC-Frag) approach, which used data-independent acquisition (DIA) and a chemometric strategy to detect peaks and align precursor ions. A total of 1008 brominated compound peaks were identified in 23 house dust samples. Precursor ions and formulas were identified for 738 (73%) of the brominated compounds. A correlation matrix was used to cluster brominated compounds; three large groups were found for the 140 high-abundance brominated compounds, and only 24 (17%) of these compounds were previously known flame retardants. The predominant class of unknown brominated compounds was predicted to consist of nitrogen-containing compounds. Following further validation by authentic standards, these compounds (56%) were determined to be novel brominated azo dyes. The mutagenicity of one major component was investigated, and mutagenicity was observed at environmentally relevant concentrations. Results of this study demonstrated the existence of numerous unknown brominated compounds in house dust, with mutagenic azo dyes unexpectedly being identified as the predominant compounds.

  2. Rare-earth abundances in chondritic meteorites

    NASA Technical Reports Server (NTRS)

    Evensen, N. M.; Hamilton, P. J.; Onions, R. K.

    1978-01-01

    Fifteen chondrites, including eight carbonaceous chondrites, were analyzed for rare earth element abundances by isotope dilution. Examination of REE for a large number of individual chondrites shows that only a small proportion of the analyses have flat unfractionated REE patterns within experimental error. While some of the remaining analyses are consistent with magmatic fractionation, many patterns, in particular those with positive Ce anomalies, can not be explained by known magmatic processes. Elemental abundance anomalies are found in all major chondrite classes. The persistence of anomalies in chondritic materials relatively removed from direct condensational processes implies that anomalous components are resistant to equilibrium or were introduced at a late stage of chondrite formation. Large-scale segregation of gas and condensate is implied, and bulk variations in REE abundances between planetary bodies is possible.

  3. Does the Chemical Diversity of the Order Haplosclerida (Phylum Porifera: Class Demospongia) Fit with Current Taxonomic Classification?

    PubMed

    Tribalat, Marie-Aude; Marra, Maria V; McCormack, Grace P; Thomas, Olivier P

    2016-06-01

    Sponges and their associated microbiota are well known to produce a large diversity of natural products, also called specialized metabolites. In addition to their potential use in the pharmaceutical industry, these rather species-specific compounds may help in the classification of some particular sponge groups. We review herein compounds isolated from haplosclerid sponges (Class Demospongia, Order Haplosclerida) in order to help in the revision of this large group of marine invertebrates. We focus only on 3-alkylpyridine derivatives and polyacetylenic compounds, as these two groups of natural products are characteristic of haplosclerid species and are highly diverse. A close collaboration between chemists and biologists is required in order to fully apply chemotaxonomical approaches, and whenever possible biological data should include morphological and molecular data and some insight into their microbial abundance. Georg Thieme Verlag KG Stuttgart · New York.

  4. Feasibility of Active Machine Learning for Multiclass Compound Classification.

    PubMed

    Lang, Tobias; Flachsenberg, Florian; von Luxburg, Ulrike; Rarey, Matthias

    2016-01-25

    A common task in the hit-to-lead process is classifying sets of compounds into multiple, usually structural classes, which build the groundwork for subsequent SAR studies. Machine learning techniques can be used to automate this process by learning classification models from training compounds of each class. Gathering class information for compounds can be cost-intensive as the required data needs to be provided by human experts or experiments. This paper studies whether active machine learning can be used to reduce the required number of training compounds. Active learning is a machine learning method which processes class label data in an iterative fashion. It has gained much attention in a broad range of application areas. In this paper, an active learning method for multiclass compound classification is proposed. This method selects informative training compounds so as to optimally support the learning progress. The combination with human feedback leads to a semiautomated interactive multiclass classification procedure. This method was investigated empirically on 15 compound classification tasks containing 86-2870 compounds in 3-38 classes. The empirical results show that active learning can solve these classification tasks using 10-80% of the data which would be necessary for standard learning techniques.

  5. Compounds affecting cholesterol absorption

    NASA Technical Reports Server (NTRS)

    Koo, Sung I. (Inventor); Noh, Sang K. (Inventor); Hua, Duy H. (Inventor)

    2004-01-01

    A class of novel compounds is described for use in affecting lymphatic absorption of cholesterol. Compounds of particular interest are defined by Formula I: ##STR1## or a pharmaceutically acceptable salt thereof.

  6. Shock Modifications of Organic Compounds in Carbonaceous Chondrite Parent Bodies

    NASA Technical Reports Server (NTRS)

    Cooper, George W.

    1998-01-01

    Impacts among asteroidal objects would have altered or destroyed pre-existing organic matter in both targets and projectiles to a greater or lesser degree depending upon impact velocities. To begin filling a knowledge gap on the shock metamorphism of organic compounds, we are studying the effects of shock impacts on selected classes of organic compounds utilizing laboratory shock facilities. Our approach is to subject mixtures of organic compounds, embedded in the matrix of the Murchison meteorite, to simulated hypervelocity impacts by firing them into targets at various pressures. The mixtures are then analyzed to determine the amount of each compound that survives as well as to determine if new compounds are being synthesized. The initial compounds added to the matrix (with the exception of thiosulfate). The sulfonic acids were chosen in part because they are relatively abundant in Murchison, relatively stable, and because they and the phosphonic acids are the first well-characterized homologous series of organic sulfur and phosphorus compounds identified in an extraterrestrial material. Experimental procedures were more fully described in the original proposal. A 20 mm gun, with its barrel extending into a vacuum chamber (10(exp -2) torr), was used to launch the projectile containing the sample at approx. 1.6 km/sec (3,600 mi/hr) into the target material. Maximum pressure of impact depend on target/projectile materials. The target was sufficiently thin to assure minimum pressure decay over the total sample thickness.

  7. Carbonaceous aerosol characterization in the Amazon basin, Brazil: novel dicarboxylic acids and related compounds

    NASA Astrophysics Data System (ADS)

    Kubátová, Alena; Vermeylen, Reinhilde; Claeys, Magda; Cafmeyer, Jan; Maenhaut, Willy; Roberts, Greg; Artaxo, Paulo

    High-resolution capillary gas chromatography (GC) and GC/mass spectrometry (MS) were employed for the quantitative determination of dichloromethane-extractable organic compounds in total and size-fractionated aerosol samples which were collected in the Amazon basin, Brazil, during the wet season, as part of the LBA-CLAIRE-98 experiment. Special emphasis was placed on the characterization and identification of several novel unknown dicarboxylic acids and related oxidative degradation products. This class of acidic products was enriched in the fine size fraction, suggesting that they were secondary organic aerosol products formed by gas-to-particle conversion. Some of the unknowns contributed more to the class of dicarboxylic acids than the major known compound, nonadioic acid (azelaic acid). The same unknowns were also observed in urban aerosol samples collected on hot summer days in Gent, Belgium. For the characterization and structure elucidation of the unknowns, various types of derivatizations and fractionation by solid-phase extraction were employed in combination with GC/MS. Four unknowns were identified. The most abundant were two derivatives of glutaric acid, 3-isopropyl pentanedioic acid and 3-acetyl pentanedioic acid. The other two identified unknowns were another oxo homologue, 3-acetyl hexanedioic acid, and, interestingly, 3-carboxy heptanedioic acid. To our knowledge, the occurrence of these four compounds in atmospheric aerosols has not yet been reported. The biogenic precursors of the novel identified compounds could not be pinpointed, but most likely include monoterpenes and fatty acids.

  8. WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound

    NASA Astrophysics Data System (ADS)

    Hunt, Peter A.; Segall, Matthew D.; Tyzack, Jonathan D.

    2018-02-01

    In the development of novel pharmaceuticals, the knowledge of how many, and which, Cytochrome P450 isoforms are involved in the phase I metabolism of a compound is important. Potential problems can arise if a compound is metabolised predominantly by a single isoform in terms of drug-drug interactions or genetic polymorphisms that would lead to variations in exposure in the general population. Combined with models of regioselectivities of metabolism by each isoform, such a model would also aid in the prediction of the metabolites likely to be formed by P450-mediated metabolism. We describe the generation of a multi-class random forest model to predict which, out of a list of the seven leading Cytochrome P450 isoforms, would be the major metabolising isoforms for a novel compound. The model has a 76% success rate with a top-1 criterion and an 88% success rate for a top-2 criterion and shows significant enrichment over randomised models.

  9. A comparison of solid-phase microextraction (SPME) with simultaneous distillation-extraction (SDE) for the analysis of volatile compounds in heated beef and sheep fats.

    PubMed

    Watkins, P J; Rose, G; Warner, R D; Dunshea, F R; Pethick, D W

    2012-06-01

    A comparison has been made on the application of SPME and SDE for the extraction of volatile compounds from heated beef and sheep fats with separation and measurement by gas chromatography-mass spectrometry. As far as we know, this report represents the first time that such a comparison has been made for the measurement of volatile compounds in heated sheep fat. Approximately 100 compounds (in relatively high abundance) were characterised in the volatile profiles of heated beef and sheep fats using both techniques. Differences were observed in the volatile profiles obtained from each technique, independent of compound class. Rather than rate one technique as superior to another, the techniques can be regarded as complementary to each other. Crown Copyright © 2011. Published by Elsevier Ltd. All rights reserved.

  10. Mass-spectrometric identification of primary biological particle markers: indication for low abundance of primary biological material in the pristine submicron aerosol of Amazonia

    NASA Astrophysics Data System (ADS)

    Schneider, J.; Freutel, F.; Zorn, S. R.; Chen, Q.; Farmer, D. K.; Jimenez, J. L.; Martin, S. T.; Artaxo, P.; Wiedensohler, A.; Borrmann, S.

    2011-07-01

    The abundance of marker compounds for primary biological particles in submicron aerosol was investigated by means of aerosol mass spectrometry. Mass spectra of amino acids, carbohydrates, small peptides, and proteins, all of which are key building blocks of biological particles, were recorded in laboratory experiments. Several characteristic marker peaks were identified. The identified marker peaks were compared with mass spectra recorded during AMAZE-08, a field campaign conducted in the pristine rainforest of the Central Amazon Basin, Brazil, during the wet season of February and March 2008. The low abundance of identified marker peaks places upper limits of 7.5 % for amino acids and 5.6 % for carbohydrates on the contribution of primary biological aerosol particles (PBAPs) to the submicron organic aerosol mass concentration during this time period. Upper limits for the absolute submicron concentrations for both compound classes range from 0.01 to 0.1 μg m-3. Carbohydrates and protein amino acids make up for about two thirds of the dry mass of a biological cell. Thus, our findings suggest an upper limit for the PBAPs mass fraction of about 20 % to the submicron organic aerosol.

  11. Carbon and nitrogen abundances determined from transition layer lines

    NASA Technical Reports Server (NTRS)

    Boehm-Vitense, Erika; Mena-Werth, Jose

    1992-01-01

    The possibility of determining relative carbon, nitrogen, and silicon abundances from the emission-line fluxes in the lower transition layers between stellar chromospheres and coronae is explored. Observations for main-sequence and luminosity class IV stars with presumably solar element abundances show that for the lower transition layers Em = BT sup -gamma. For a given carbon abundance the constants gamma and B in this relation can be determined from the C II and C IV emission-line fluxes. From the N V and S IV lines, the abundances of these elements relative to carbon can be determined from their surface emission-line fluxes. Ratios of N/C abundances determined in this way for some giants and supergiants agree within the limits of errors with those determined from molecular bands. For giants, an increase in the ratio of N/C at B-V of about 0.8 is found, as expected theoretically.

  12. Hepatic cytochrome P450 activity, abundance, and expression throughout human development

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sadler, Natalie C.; Nandhikonda, Premchendar; Webb-Robertson, Bobbie-Jo M.

    Cytochrome P450s are Phase I metabolic enzymes that play critical roles in the biotransformation of endogenous compounds and xenobiotics. The expression and activity of P450 enzymes can vary considerably throughout human development, especially when comparing fetal development to neonates, children, and adults. In an effort to develop a more comprehensive understanding of the ontogeny of P450 expression and activity we employed a multi-omic characterization of P450 transcript expression, protein abundance, and functional activity. To quantify the functional activity of individual P450s we employ activity-based protein profiling, which uses modified mechanism-based inhibitors of P450s as chemical probes, in tandem with proteomicmore » analyses to quantify activity. Our results reveal life-stage-dependent variability in P450 expression, abundance, and activity throughout human development and frequent discordant relationships between expression and activity. The results were used to distribute P450s into three general classes based upon developmental stage of expression and activity. We have significantly expanded the knowledge of P450 ontogeny, particularly at the level of individual P450 activity. We anticipate that our ontogeny results will be useful for enabling predictive therapeutic dosing, and for avoiding potentially adverse and harmful reactions during maturation from both therapeutic drugs and environmental xenobiotics.« less

  13. Oceanic loading of wildfire-derived organic compounds from a small mountainous river

    USGS Publications Warehouse

    Hunsinger, G.B.; Mitra, Siddhartha; Warrick, J.A.; Alexander, C.R.

    2008-01-01

    Small mountainous rivers (SMRs) export substantial amounts of sediment into the world's oceans. The concomitant yield of organic carbon (OC) associated with this class of rivers has also been shown to be significant and compositionally unique. We report here excessively high loadings of polycyclic aromatic hydrocarbons (PAHs), lignin, and levoglucosan, discharged from the Santa Clara River into the Santa Barbara Channel. The abundance of PAHs, levoglucosan, and lignin in Santa Barbara Channel sediments ranged from 201.7 to 1232.3 ng gdw-1, 1.3 to 6.9 ??g gdw-1, and 0.3 to 2.2 mg per 100 mg of the sedimentary OC, respectively. Assuming a constant rate of sediment accumulation, the annual fluxes of PAHs, levoglucosan, and lignin, to the Santa Barbara Channel were respectively, 885.5 ?? 170.2 ng cm-2 a-1, 3.5 ?? 1.9 ??g cm-2 a-1 and 1.4 ?? 0.3 mg per 100 mg OC cm-2 a-1, over ???30 years. The close agreement between PAHs, levoglucosan, and lignin abundance suggests that the depositional flux of these compounds is largely biomass combustion-derived. To that end, use of the Santa Clara River as a model for SMRs suggests this class of rivers may be one of the largest contributors of pyrolyzed carbon to coastal systems and the open ocean. Wildfire associated carbon discharged from other high yield fluvial systems, when considered collectively, may be a significant source of lignin, pyrolytic PAHs, and other pyrogenic compounds to the ocean. Extrapolating these methods over geologic time may offer useful historical information about carbon sequestration and burial in coastal sediments and affect coastal carbon budgets. Copyright 2008 by the American Geophysical Union.

  14. Discrepant responses of methane emissions to additions with different organic compound classes of rice straw in paddy soil.

    PubMed

    Tan, Wenbing; Yu, Hanxia; Huang, Caihong; Li, Dan; Zhang, Hui; Jia, Yufu; Wang, Guoan; Xi, Beidou

    2018-07-15

    Crop straw incorporation has become a prevailing agricultural practice that guarantees the food production and security. There is a significant body of work on the effects of straw incorporation on the methane (CH 4 ) emissions in paddy fields. However, it is unclear whether there are diverse links between CH 4 emission dynamics and incorporations of different organic compound classes of straw to paddy fields. In this study, soil incubations were conducted to assess the respective effect of incorporations of hydrolysable amino acid (HAA), dilute-acid extractable carbohydrate (DAC), lipid and acid-insoluble organic matter (AIOM) fractions of rice straw on the CH 4 emission in paddy soil. It is revealed that incorporations of HAA and DAC fractions exert the greatest intensities to stimulate the CH 4 emissions, which mainly takes place in the early period of incubation; on contrary, the incorporation of lipid fraction exerts the lowest intensity and mainly takes place in the late period. The pattern of CH 4 emission after incorporation of AIOM fraction occurs peaks both in the early and late periods of incubation. Our findings highlight that the time of occurrence and intensity of effects of rice straw incorporation on CH 4 emissions vary significantly depending on the different organic compound classes of rice straw, which may be key to proposing a promising management strategy for mitigating CH 4 emissions in paddy fields in the context of straw incorporation. Copyright © 2018 Elsevier B.V. All rights reserved.

  15. Is Markhamia lutea's abundance determined by animal foraging?

    PubMed

    Chapman, Colin A; Bonnell, Tyler R; Sengupta, Raja; Goldberg, Tony L; Rothman, Jessica M

    2013-11-15

    Understanding the determinants of tropical forest tree richness and spatial distribution is a central goal of forest ecology; however, the role of herbivorous mammals has received little attention. Here we explore the potential for red colobus monkeys ( Procolobus rufomitratus ) to influence the abundance of Markhamia lutea trees in a tropical forest by feeding extensively on the tree's flowers, such that this tree population is not able to regularly set fruit. Using 14 years of data from Kibale National Park, Uganda, we quantify M. lutea flower and fruit production. Similarly, using 21 years of data, we quantify temporal changes in the abundance of stems in size classes from 1 m tall and above. Our analyses demonstrate that M. lutea is rarely able to produce fruit and that this corresponds to a general decline in its abundance across all size classes. Moreover, using 7 years of feeding records, we demonstrate that red colobus feed on M. lutea , consuming large amounts of leaf and flower buds whenever they were available, suggesting that this behavior limits fruit production. Therefore, we suggest that red colobus are presently important for structuring the distribution and abundance of M. lutea in Kibale. This dynamic raises the intriguing question of how a large M. lutea population was able to originally establish. There is no evidence of a change in red colobus population size; however, if this old-growth forest is in a non-equilibrium state, M. lutea may have become established when red colobus ate a different diet.

  16. Effects of 100 years wastewater irrigation on resistance genes, class 1 integrons and IncP-1 plasmids in Mexican soil

    PubMed Central

    Jechalke, Sven; Broszat, Melanie; Lang, Friederike; Siebe, Christina; Smalla, Kornelia; Grohmann, Elisabeth

    2015-01-01

    Long-term irrigation with untreated wastewater can lead to an accumulation of antibiotic substances and antibiotic resistance genes in soil. However, little is known so far about effects of wastewater, applied for decades, on the abundance of IncP-1 plasmids and class 1 integrons which may contribute to the accumulation and spread of resistance genes in the environment, and their correlation with heavy metal concentrations. Therefore, a chronosequence of soils that were irrigated with wastewater from 0 to 100 years was sampled in the Mezquital Valley in Mexico in the dry season. The total community DNA was extracted and the absolute and relative abundance (relative to 16S rRNA genes) of antibiotic resistance genes (tet(W), tet(Q), aadA), class 1 integrons (intI1), quaternary ammonium compound resistance genes (qacE+qacEΔ1) and IncP-1 plasmids (korB) were quantified by real-time PCR. Except for intI1 and qacE+qacEΔ1 the abundances of selected genes were below the detection limit in non-irrigated soil. Confirming the results of a previous study, the absolute abundance of 16S rRNA genes in the samples increased significantly over time (linear regression model, p < 0.05) suggesting an increase in bacterial biomass due to repeated irrigation with wastewater. Correspondingly, all tested antibiotic resistance genes as well as intI1 and korB significantly increased in abundance over the period of 100 years of irrigation. In parallel, concentrations of the heavy metals Zn, Cu, Pb, Ni, and Cr significantly increased. However, no significant positive correlations were observed between the relative abundance of selected genes and years of irrigation, indicating no enrichment in the soil bacterial community due to repeated wastewater irrigation or due to a potential co-selection by increasing concentrations of heavy metals. PMID:25784901

  17. Phi Class of Glutathione S-transferase Gene Superfamily Widely Exists in Nonplant Taxonomic Groups.

    PubMed

    Munyampundu, Jean-Pierre; Xu, You-Ping; Cai, Xin-Zhong

    2016-01-01

    Glutathione S-transferases (GSTs) constitute a superfamily of enzymes involved in detoxification of noxious compounds and protection against oxidative damage. GST class Phi (GSTF), one of the important classes of plant GSTs, has long been considered as plant specific but was recently found in basidiomycete fungi. However, the range of nonplant taxonomic groups containing GSTFs remains unknown. In this study, the distribution and phylogenetic relationships of nonplant GSTFs were investigated. We identified GSTFs in ascomycete fungi, myxobacteria, and protists Naegleria gruberi and Aureococcus anophagefferens. GSTF occurrence in these bacteria and protists correlated with their genome sizes and habitats. While this link was missing across ascomycetes, the distribution and abundance of GSTFs among ascomycete genomes could be associated with their lifestyles to some extent. Sequence comparison, gene structure, and phylogenetic analyses indicated divergence among nonplant GSTFs, suggesting polyphyletic origins during evolution. Furthermore, in silico prediction of functional partners suggested functional diversification among nonplant GSTFs.

  18. Phi Class of Glutathione S-transferase Gene Superfamily Widely Exists in Nonplant Taxonomic Groups

    PubMed Central

    Munyampundu, Jean-Pierre; Xu, You-Ping; Cai, Xin-Zhong

    2016-01-01

    Glutathione S-transferases (GSTs) constitute a superfamily of enzymes involved in detoxification of noxious compounds and protection against oxidative damage. GST class Phi (GSTF), one of the important classes of plant GSTs, has long been considered as plant specific but was recently found in basidiomycete fungi. However, the range of nonplant taxonomic groups containing GSTFs remains unknown. In this study, the distribution and phylogenetic relationships of nonplant GSTFs were investigated. We identified GSTFs in ascomycete fungi, myxobacteria, and protists Naegleria gruberi and Aureococcus anophagefferens. GSTF occurrence in these bacteria and protists correlated with their genome sizes and habitats. While this link was missing across ascomycetes, the distribution and abundance of GSTFs among ascomycete genomes could be associated with their lifestyles to some extent. Sequence comparison, gene structure, and phylogenetic analyses indicated divergence among nonplant GSTFs, suggesting polyphyletic origins during evolution. Furthermore, in silico prediction of functional partners suggested functional diversification among nonplant GSTFs. PMID:26884677

  19. Understanding the tolerance of the industrial yeast Saccharomyces cerevisiae against a major class of toxic aldehyde compounds.

    PubMed

    Liu, ZongLin Lewis

    2018-07-01

    Development of the next-generation biocatalyst is vital for fermentation-based industrial applications and a sustainable bio-based economy. Overcoming the major class of toxic compounds associated with lignocellulose-to-biofuels conversion is one of the significant challenges for new strain development. A significant number of investigations have been made to understand mechanisms of the tolerance for industrial yeast. It is humbling to learn how complicated the cell's response to the toxic chemicals is and how little we have known about yeast tolerance in the universe of the living cell. This study updates our current knowledge on the tolerance of industrial yeast against aldehyde inhibitory compounds at cellular, molecular and the genomic levels. It is comprehensive yet specific based on reproducible evidence and cross confirmed findings from different investigations using varied experimental approaches. This research approaches a rational foundation toward a more comprehensive understanding on the yeast tolerance. Discussions and perspectives are also proposed for continued exploring the puzzle of the yeast tolerance to aid the next-generation biocatalyst development.

  20. Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens

    PubMed Central

    Bakri, Ridla; Parikesit, Arli Aditya; Satriyanto, Cipta Prio; Kerami, Djati; Tambunan, Usman Sumo Friend

    2014-01-01

    Histone deacetylase (HDAC) has a critical function in regulating gene expression. The inhibition of HDAC has developed as an interesting anticancer research area that targets biological processes such as cell cycle, apoptosis, and cell differentiation. In this study, an HDAC inhibitor that is available commercially, suberoyl anilide hydroxamic acid (SAHA), has been modified to improve its efficacy and reduce the side effects of the compound. Hydrophobic cap and zinc-binding group of these compounds were substituted with boron-based compounds, whereas the linker region was substituted with p-aminobenzoic acid. The molecular docking analysis resulted in 8 ligands with ΔG binding value more negative than the standards, SAHA and trichostatin A (TSA). That ligands were analyzed based on the nature of QSAR, pharmacological properties, and ADME-Tox. It is conducted to obtain a potent inhibitor of HDAC class II Homo sapiens. The screening process result gave one best ligand, Nova2 (513246-99-6), which was then further studied by molecular dynamics simulations. PMID:25214833

  1. Effects of conifer release with glyphosate on summer forage abundance for deer in Maine

    USGS Publications Warehouse

    Vreeland, J.K.; Servello, F.A.; Griffith, B.

    1998-01-01

    Effects of conifer release with glyphosate on summer forage availability for large herbivores in northern forests have received relatively little study. We determined effects of glyphosate treatment of clearcuts on abundance of summer foods for white-tailed deer (Odocoileus virginianus) at 1 and 7-10 years posttreatment. We measured the abundance (percent cover in a 0- to 1.8-m height stratum) of five forage classes for deer (leaves of deciduous trees, leaves of deciduous shrubs, forbs, grasses, ferns) on 12 clearcuts (six treated, six untreated) to determine 1-year effects and on 10 clearcuts (five treated, five untreated) to determine 7- to 10-year effects. Abundance of leaves of deciduous trees was greater on untreated sites (38 versus 11%) at 1 year posttreatment, but the difference was less (18 versus 12%) at 7-10 years posttreatment (age x treatment interaction, P = 0.005). Leaves of deciduous shrubs exhibited a similar pattern. Abundance of forbs was similar (13-14%) at 1 year posttreatment but greater on treated sites (29 versus 15%) at 7-10 years posttreatment (P = 0.03). Grasses and ferns were less abundant than other forage classes. Overall, glyphosate application initially decreased the abundance of leaves of deciduous trees and shrubs used as food in summer, but the longer term positive effects on forb abundance may result in little net change in overall habitat value.

  2. Dynamic relationships between body size, species richness, abundance, and energy use in a shallow marine epibenthic faunal community

    PubMed Central

    Labra, Fabio A; Hernández-Miranda, Eduardo; Quiñones, Renato A

    2015-01-01

    We study the temporal variation in the empirical relationships among body size (S), species richness (R), and abundance (A) in a shallow marine epibenthic faunal community in Coliumo Bay, Chile. We also extend previous analyses by calculating individual energy use (E) and test whether its bivariate and trivariate relationships with S and R are in agreement with expectations derived from the energetic equivalence rule. Carnivorous and scavenger species representing over 95% of sample abundance and biomass were studied. For each individual, body size (g) was measured and E was estimated following published allometric relationships. Data for each sample were tabulated into exponential body size bins, comparing species-averaged values with individual-based estimates which allow species to potentially occupy multiple size classes. For individual-based data, both the number of individuals and species across body size classes are fit by a Weibull function rather than by a power law scaling. Species richness is also a power law of the number of individuals. Energy use shows a piecewise scaling relationship with body size, with energetic equivalence holding true only for size classes above the modal abundance class. Species-based data showed either weak linear or no significant patterns, likely due to the decrease in the number of data points across body size classes. Hence, for individual-based size spectra, the SRA relationship seems to be general despite seasonal forcing and strong disturbances in Coliumo Bay. The unimodal abundance distribution results in a piecewise energy scaling relationship, with small individuals showing a positive scaling and large individuals showing energetic equivalence. Hence, strict energetic equivalence should not be expected for unimodal abundance distributions. On the other hand, while species-based data do not show unimodal SRA relationships, energy use across body size classes did not show significant trends, supporting energetic

  3. Fate and abundance of classical and heteroatomic naphthenic acid species after advanced oxidation processes: Insights and indicators of transformation and degradation.

    PubMed

    Meshref, Mohamed N A; Chelme-Ayala, Pamela; Gamal El-Din, Mohamed

    2017-11-15

    The toxicological effects from all components in oil sands process-affected water (OSPW) are not known. Alternatively, monitoring the variations and abundance of different classes and compounds after treatments might be a useful approach in OSPW remediation. In this study, the variations in the compositions of classical and heteroatomic naphthenic acids (NAs) after treatment using advanced oxidation processes (AOPs), mainly ozone and peroxone, and two different mass spectrometry methods; ultra-performance liquid chromatography time-of-flight (UPLC-TOFMS) and Fourier transform ion cyclotron resonance (FTICR-MS), were examined. Two markers (O 2 S:O 3 S:O 4 S and O 2 :O 4 ratios) were used to reveal changes and similarities of the treated water characteristics with those in natural waters. Both ratios decreased after all treatments, from 2.7:4.8:2.1 and 3.59 in raw OSPW to 0:1.4:0.5 and 0.7, respectively, in peroxone (1:2), becoming close to the reported ratios in natural waters. Toxicity toward Vibrio fischeri showed residual toxic effects after AOPs, suggesting that part of OSPW toxicity may be caused by specific compounds of NAs (i.e., similar reduction (50%) was achieved in both toxicity and abundance in O 2 species with carbon 15-26) and/or generated by-products (e.g., O 3 S classes at double bond equivalent (DBE) = 4 and C 9 H 12 O 2 at DBE = 4). Although by-products were generated, the best biodegradability enhancement and chemical oxygen demand reduction were achieved in peroxone (1:2) compared to ozone, suggesting the possibility of using combined OSPW remediation approaches (i.e., peroxone coupled with biological process). The recommended indicators can assist in evaluating the treatments' performance and in examining the best removal levels to accomplish significant toxicity reduction. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Wild Prunus Fruit Species as a Rich Source of Bioactive Compounds.

    PubMed

    Mikulic-Petkovsek, Maja; Stampar, Franci; Veberic, Robert; Sircelj, Helena

    2016-08-01

    Sugars, organic acids, carotenoids, tocopherols, chlorophylls, and phenolic compounds were quantified in fruit of 4 wild growing Prunus species (wild cherry, bird cherry, blackthorn, and mahaleb cherry) using HPLC-DAD-MSn. In wild Prunus, the major sugars were glucose and fructose, whereas malic and citric acids dominated among organic acids. The most abundant classes of phenolic compounds in the analyzed fruit species were anthocyanins, flavonols, derivatives of cinnamic acids, and flavanols. Two major groups of anthocyanins measured in Prunus fruits were cyanidin-3-rutinoside and cyanidin-3-glucoside. Flavonols were represented by 19 derivatives of quercetin, 10 derivatives of kaempferol, and 2 derivatives of isorhamnetin. The highest total flavonol content was measured in mahaleb cherry and bird cherry, followed by blackthorn and wild cherry fruit. Total phenolic content varied from 2373 (wild cherry) to 11053 mg GAE per kg (bird cherry) and ferric reducing antioxidant power antioxidant activity from 7.26 to 31.54 mM trolox equivalents per kg fruits. © 2016 Institute of Food Technologists®

  5. On-line Analysis of Nitrogen Containing Compounds in Complex Hydrocarbon Matrixes.

    PubMed

    Ristic, Nenad D; Djokic, Marko R; Van Geem, Kevin M; Marin, Guy B

    2016-08-05

    The shift to heavy crude oils and the use of alternative fossil resources such as shale oil are a challenge for the petrochemical industry. The composition of heavy crude oils and shale oils varies substantially depending on the origin of the mixture. In particular they contain an increased amount of nitrogen containing compounds compared to the conventionally used sweet crude oils. As nitrogen compounds have an influence on the operation of thermal processes occurring in coker units and steam crackers, and as some species are considered as environmentally hazardous, a detailed analysis of the reactions involving nitrogen containing compounds under pyrolysis conditions provides valuable information. Therefore a novel method has been developed and validated with a feedstock containing a high nitrogen content, i.e., a shale oil. First, the feed was characterized offline by comprehensive two-dimensional gas chromatography (GC × GC) coupled with a nitrogen chemiluminescence detector (NCD). In a second step the on-line analysis method was developed and tested on a steam cracking pilot plant by feeding pyridine dissolved in heptane. The former being a representative compound for one of the most abundant classes of compounds present in shale oil. The composition of the reactor effluent was determined via an in-house developed automated sampling system followed by immediate injection of the sample on a GC × GC coupled with a time-of-flight mass spectrometer (TOF-MS), flame ionization detector (FID) and NCD. A novel method for quantitative analysis of nitrogen containing compounds using NCD and 2-chloropyridine as an internal standard has been developed and demonstrated.

  6. Model reduction for stochastic chemical systems with abundant species.

    PubMed

    Smith, Stephen; Cianci, Claudia; Grima, Ramon

    2015-12-07

    Biochemical processes typically involve many chemical species, some in abundance and some in low molecule numbers. We first identify the rate constant limits under which the concentrations of a given set of species will tend to infinity (the abundant species) while the concentrations of all other species remains constant (the non-abundant species). Subsequently, we prove that, in this limit, the fluctuations in the molecule numbers of non-abundant species are accurately described by a hybrid stochastic description consisting of a chemical master equation coupled to deterministic rate equations. This is a reduced description when compared to the conventional chemical master equation which describes the fluctuations in both abundant and non-abundant species. We show that the reduced master equation can be solved exactly for a number of biochemical networks involving gene expression and enzyme catalysis, whose conventional chemical master equation description is analytically impenetrable. We use the linear noise approximation to obtain approximate expressions for the difference between the variance of fluctuations in the non-abundant species as predicted by the hybrid approach and by the conventional chemical master equation. Furthermore, we show that surprisingly, irrespective of any separation in the mean molecule numbers of various species, the conventional and hybrid master equations exactly agree for a class of chemical systems.

  7. Analysis of phenolic compounds in different parts of pomegranate (Punica granatum) fruit by HPLC-PDA-ESI/MS and evaluation of their antioxidant activity: application to different Italian varieties.

    PubMed

    Russo, Marina; Fanali, Chiara; Tripodo, Giusy; Dugo, Paola; Muleo, Rosario; Dugo, Laura; De Gara, Laura; Mondello, Luigi

    2018-06-01

    The analysis of pomegranate phenolic compounds belonging to different classes in different fruit parts was performed by high-performance liquid chromatography coupled with photodiode array and mass spectrometry detection. Two different separation methods were optimized for the analysis of anthocyanins and hydrolyzable tannins along with phenolic acids and flavonoids. Two C 18 columns, core-shell and fully porous particle stationary phases, were used. The parameters for separation of phenolic compounds were optimized considering chromatographic resolution and analysis time. Thirty-five phenolic compounds were found, and 28 of them were tentatively identified as belonging to four different phenolic compound classes; namely, anthocyanins, phenolic acids, hydrolyzable tannins, and flavonoids. Quantitative analysis was performed with a mixture of nine phenolic compounds belonging to phenolic compound classes representative of pomegranate. The method was then fully validated in terms of retention time precision, expressed as the relative standard deviation, limit of detection, limit of quantification, and linearity range. Phenolic compounds were analyzed directly in pomegranate juice, and after solvent extraction with a mixture of water and methanol with a small percentage of acid in peel and pulp samples. The accuracy of the extraction method was also assessed, and satisfactory values were obtained. Finally, the method was used to study identified analytes in pomegranate juice, peel, and pulp of six different Italian varieties and one international variety. Differences in phenolic compound profiles among the different pomegranate parts were observed. Pomegranate peel samples showed a high concentration of phenolic compounds, ellagitannins being the most abundant ones, with respect to pulp and juice samples for each variety. With the same samples, total phenols and antioxidant activity were evaluated through colorimetric assays, and the results were correlated among them.

  8. The Generation of Diazo Compounds in Continuous-Flow.

    PubMed

    Hock, Katharina J; Koenigs, Rene M

    2018-03-25

    Toxic, cancerogenic and explosive - these attributes are typically associated with diazo compounds. Nonetheless, diazo compounds are nowadays a highly demanded class of reagents for organic synthesis, yet the concerns with regards to safe and scalable transformations of these compounds are still exceptionally high. Lately, the research area of the continuous-flow synthesis of diazo compounds attracted significant interest and a whole variety of protocols for their "on-demand" preparation have been realized to date. This concept article focuses on the recent developments using continuous-flow technologies to access diazo compounds; thus minimizing risks and hazards when working with this particular class of compounds. In this article we discuss these concepts and highlight different pre-requisites to access and to perform downstream functionalization reaction. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Increasing human Th17 differentiation through activation of orphan nuclear receptor retinoid acid-related orphan receptor γ (RORγ) by a class of aryl amide compounds.

    PubMed

    Zhang, Wei; Zhang, Jing; Fang, Leiping; Zhou, Ling; Wang, Shuai; Xiang, Zhijun; Li, Yuan; Wisely, Bruce; Zhang, Guifeng; An, Gang; Wang, Yonghui; Leung, Stewart; Zhong, Zhong

    2012-10-01

    In a screen for small-molecule inhibitors of retinoid acid-related orphan receptor γ (RORγ), we fortuitously discovered that a class of aryl amide compounds behaved as functional activators of the interleukin 17 (IL-17) reporter in Jurkat cells. Three of these compounds were selected for further analysis and found to activate the IL-17 reporter with potencies of ∼0.1 μM measured by EC₅₀. These compounds were shown to directly bind to RORγ by circular dichroism-based thermal stability experiments. Furthermore, they can enhance an in vitro Th17 differentiation process in human primary T cells. As RORγ remains an orphan nuclear receptor, discovery of these aryl amide compounds as functional agonists will now provide pharmacological tools for us to dissect functions of RORγ and facilitate drug discovery efforts for immune-modulating therapies.

  10. Phenolic Compounds in Particles of Mainstream Waterpipe Smoke

    PubMed Central

    2013-01-01

    Introduction: Waterpipe tobacco smoking has in recent years become a popular international phenomenon, particularly among youth. While it has been shown to deliver significant quantities of several carcinogenic and toxic substances, phenols, an important class of chemical compounds thought to promote DNA mutation and cardiovascular diseases, however, has not been studied. Due to the relatively low temperature characteristic of waterpipe tobacco during smoking (i.e., <450 °C), it was hypothesized that phenolic compounds, which form at approximately 300 °C, will be found in abundance in waterpipe smoke. Methods: In this study, phenolic compounds in the particle phase of waterpipe mainstream smoke were quantified. Waterpipe and cigarette mainstream smoke generated using standard methods were collected on glass fiber pads and analyzed using gas chromatography/mass spectroscopy selected ion current profile chromatogram method for quantification. Results: We found that relative to a single cigarette, a waterpipe delivers at least 3 times greater quantities of the 7 analyzed phenols (phenol, o-cresol, m-cresol, p-cresol, catechol, resorcinol, and hydroquinone). Moreover, phenol derivatives such as methylcatechol, and flavorings such as vanillin, ethyl vanillin, and benzyl alcohol were found in quantities up to 1,000 times greater than the amount measured in the smoke of a single cigarette. Conclusion: The large quantities of phenols and phenol derivatives in waterpipe smoke add to the growing evidence that habitual waterpipe use may increase the risk of cancer and cardiovascular diseases. PMID:23178319

  11. Pipeline of Known Chemical Classes of Antibiotics

    PubMed Central

    d’Urso de Souza Mendes, Cristina; de Souza Antunes, Adelaide Maria

    2013-01-01

    Many approaches are used to discover new antibiotic compounds, one of the most widespread being the chemical modification of known antibiotics. This type of discovery has been so important in the development of new antibiotics that most antibiotics used today belong to the same chemical classes as antibiotics discovered in the 1950s and 1960s. Even though the discovery of new classes of antibiotics is urgently needed, the chemical modification of antibiotics in known classes is still widely used to discover new antibiotics, resulting in a great number of compounds in the discovery and clinical pipeline that belong to existing classes. In this scenario, the present article presents an overview of the R&D pipeline of new antibiotics in known classes of antibiotics, from discovery to clinical trial, in order to map out the technological trends in this type of antibiotic R&D, aiming to identify the chemical classes attracting most interest, their spectrum of activity, and the new subclasses under development. The result of the study shows that the new antibiotics in the pipeline belong to the following chemical classes: quinolones, aminoglycosides, macrolides, oxazolidinones, tetracyclines, pleuromutilins, beta-lactams, lipoglycopeptides, polymyxins and cyclic lipopeptides. PMID:27029317

  12. Inhibition of dengue virus replication by a class of small-molecule compounds that antagonize dopamine receptor d4 and downstream mitogen-activated protein kinase signaling.

    PubMed

    Smith, Jessica L; Stein, David A; Shum, David; Fischer, Matthew A; Radu, Constantin; Bhinder, Bhavneet; Djaballah, Hakim; Nelson, Jay A; Früh, Klaus; Hirsch, Alec J

    2014-05-01

    Dengue viruses (DENV) are endemic pathogens of tropical and subtropical regions that cause significant morbidity and mortality worldwide. To date, no vaccines or antiviral therapeutics have been approved for combating DENV-associated disease. In this paper, we describe a class of tricyclic small-molecule compounds-dihydrodibenzothiepines (DHBTs), identified through high-throughput screening-with potent inhibitory activity against DENV serotype 2. SKI-417616, a highly active representative of this class, displayed activity against all four serotypes of DENV, as well as against a related flavivirus, West Nile virus (WNV), and an alphavirus, Sindbis virus (SINV). This compound was characterized to determine its mechanism of antiviral activity. Investigation of the stage of the viral life cycle affected revealed that an early event in the life cycle is inhibited. Due to the structural similarity of the DHBTs to known antagonists of the dopamine and serotonin receptors, we explored the roles of two of these receptors, serotonin receptor 2A (5HTR2A) and the D4 dopamine receptor (DRD4), in DENV infection. Antagonism of DRD4 and subsequent downstream phosphorylation of epidermal growth factor receptor (EGFR)-related kinase (ERK) were found to impact DENV infection negatively, and blockade of signaling through this network was confirmed as the mechanism of anti-DENV activity for this class of compounds. The dengue viruses are mosquito-borne, reemerging human pathogens that are the etiological agents of a spectrum of febrile diseases. Currently, there are no approved therapeutic treatments for dengue-associated disease, nor is there a vaccine. This study identifies a small molecule, SKI-417616, with potent anti-dengue virus activity. Further analysis revealed that SKI-417616 acts through antagonism of the host cell dopamine D4 receptor and subsequent repression of the ERK phosphorylation pathway. These results suggest that SKI-417616, or other compounds targeting the same

  13. Measurement of phospholipids by hydrophilic interaction liquid chromatography coupled to tandem mass spectrometry: the determination of choline containing compounds in foods.

    PubMed

    Zhao, Yuan-Yuan; Xiong, Yeping; Curtis, Jonathan M

    2011-08-12

    A hydrophilic interaction liquid chromatography-tandem mass spectrometry (HILIC LC-MS/MS) method using multiple scan modes was developed to separate and quantify 11 compounds and lipid classes including acetylcholine (AcCho), betaine (Bet), choline (Cho), glycerophosphocholine (GPC), lysophosphatidylcholine (LPC), lysophosphatidylethanolamine (LPE), phosphatidylcholine (PC), phosphatidylethanolamine (PE), phosphatidylinositol (PI), phosphocholine (PCho) and sphingomyelin (SM). This includes all of the major choline-containing compounds found in foods. The method offers advantages over other LC methods since HILIC chromatography is readily compatible with electrospray ionization and results in higher sensitivity and improved peak shapes. The LC-MS/MS method allows quantification of all choline-containing compounds in a single run. Tests of method suitability indicated linear ranges of approximately 0.25-25 μg/ml for PI and PE, 0.5-50 μg/ml for PC, 0.05-5 μg/ml for SM and LPC, 0.5-25 μg/ml for LPE, 0.02-5 μg/ml for Cho, and 0.08-8 μg/ml for Bet, respectively. Accuracies of 83-105% with precisions of 1.6-13.2% RSD were achieved for standards over a wide range of concentrations, demonstrating that this method will be suitable for food analysis. 8 polar lipid classes were found in a lipid extract of egg yolk and different species of the same class were differentiated based on their molecular weights and fragment ion information. PC and PE were found to be the most abundant lipid classes consisting of 71% and 18% of the total phospholipids in egg yolk. Copyright © 2011 Elsevier B.V. All rights reserved.

  14. Interstellar Polycyclic Aromatic Compounds and Astrophysics

    NASA Technical Reports Server (NTRS)

    Hodgins, Douglas M.; DeVincenzi, Donald (Technical Monitor)

    1999-01-01

    Polycyclic aromatic compounds (PACs), a class of organic molecules whose structures are characterized by the presence of two or more fused aromatic rings, have been the subject of astrophysical interest for nearly two decades. Large by interstellar standards (from as few as 20 to perhaps as many as several hundred atoms), it has been suggested that these species are among the most abundant interstellar molecules impacting a wide range of astrophysical phenomena including: the ubiquitous family of infrared emission bands observed in an ever-increasing assortment of astronomical objects; the subtle but rich array of discrete visible/near-infrared interstellar molecular absorption features known as the diffuse interstellar bands (DIBs); the broad near-infrared quasi-continuum observed in a number of nebulae known as excess red emission (ERE); the interstellar ultraviolet extinction curve and broad '2200 Angstrom bump'; the heating/cooling mechanisms of interstellar clouds. Nevertheless, until recently a lack of good-quality laboratory spectroscopic data on PACs under astrophysically relevant conditions (i.e. isolated, ionized molecules; ionized molecular clusters, etc.) has hindered critical evaluation and extension of this model

  15. Model reduction for stochastic chemical systems with abundant species

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Smith, Stephen; Cianci, Claudia; Grima, Ramon

    2015-12-07

    Biochemical processes typically involve many chemical species, some in abundance and some in low molecule numbers. We first identify the rate constant limits under which the concentrations of a given set of species will tend to infinity (the abundant species) while the concentrations of all other species remains constant (the non-abundant species). Subsequently, we prove that, in this limit, the fluctuations in the molecule numbers of non-abundant species are accurately described by a hybrid stochastic description consisting of a chemical master equation coupled to deterministic rate equations. This is a reduced description when compared to the conventional chemical master equationmore » which describes the fluctuations in both abundant and non-abundant species. We show that the reduced master equation can be solved exactly for a number of biochemical networks involving gene expression and enzyme catalysis, whose conventional chemical master equation description is analytically impenetrable. We use the linear noise approximation to obtain approximate expressions for the difference between the variance of fluctuations in the non-abundant species as predicted by the hybrid approach and by the conventional chemical master equation. Furthermore, we show that surprisingly, irrespective of any separation in the mean molecule numbers of various species, the conventional and hybrid master equations exactly agree for a class of chemical systems.« less

  16. Estimating site occupancy and abundance using indirect detection indices

    USGS Publications Warehouse

    Stanley, T.R.; Royle, J. Andrew

    2005-01-01

    Knowledge of factors influencing animal distribution and abundance is essential in many areas of ecological research, management, and policy-making. Because common methods for modeling and estimating abundance (e.g., capture-recapture, distance sampling) are sometimes not practical for large areas or elusive species, indices are sometimes used as surrogate measures of abundance. We present an extension of the Royle and Nichols (2003) generalization of the MacKenzie et al. (2002) site-occupancy model that incorporates length of the sampling interval into the, model for detection probability. As a result, we obtain a modeling framework that shows how useful information can be extracted from a class of index methods we call indirect detection indices (IDIs). Examples of IDIs include scent station, tracking tube, snow track, tracking plate, and hair snare surveys. Our model is maximum likelihood, and it can be used to estimate site occupancy and model factors influencing patterns of occupancy and abundance in space. Under certain circumstances, it can also be used to estimate abundance. We evaluated model properties using Monte Carlo simulations and illustrate the method with tracking tube and scent station data. We believe this model will be a useful tool for determining factors that influence animal distribution and abundance.

  17. A new device to estimate abundance of moist-soil plant seeds

    USGS Publications Warehouse

    Penny, E.J.; Kaminski, R.M.; Reinecke, K.J.

    2006-01-01

    Methods to sample the abundance of moist-soil seeds efficiently and accurately are critical for evaluating management practices and determining food availability. We adapted a portable, gasoline-powered vacuum to estimate abundance of seeds on the surface of a moist-soil wetland in east-central Mississippi and evaluated the sampler by simulating conditions that researchers and managers may experience when sampling moist-soil areas for seeds. We measured the percent recovery of known masses of seeds by the vacuum sampler in relation to 4 experimentally controlled factors (i.e., seed-size class, sample mass, soil moisture class, and vacuum time) with 2-4 levels per factor. We also measured processing time of samples in the laboratory. Across all experimental factors, seed recovery averaged 88.4% and varied little (CV = 0.68%, n = 474). Overall, mean time to process a sample was 30.3 ? 2.5 min (SE, n = 417). Our estimate of seed recovery rate (88%) may be used to adjust estimates for incomplete seed recovery, or project-specific correction factors may be developed by investigators. Our device was effective for estimating surface abundance of moist-soil plant seeds after dehiscence and before habitats were flooded.

  18. Size-Based Hydroacoustic Measures of Within-Season Fish Abundance in a Boreal Freshwater Ecosystem

    PubMed Central

    Pollom, Riley A.; Rose, George A.

    2015-01-01

    Eleven sequential size-based hydroacoustic surveys conducted with a 200 kHz split-beam transducer during the summers of 2011 and 2012 were used to quantify seasonal declines in fish abundance in a boreal reservoir in Manitoba, Canada. Fish densities were sufficiently low to enable single target resolution and tracking. Target strengths converted to log2-based size-classes indicated that smaller fish were consistently more abundant than larger fish by a factor of approximately 3 for each halving of length. For all size classes, in both years, abundance (natural log) declined linearly over the summer at rates that varied from -0.067.day-1 for the smallest fish to -0.016.day-1 for the largest (R2 = 0.24–0.97). Inter-annual comparisons of size-based abundance suggested that for larger fish (>16 cm), mean winter decline rates were an order of magnitude lower (-0.001.day-1) and overall survival higher (71%) than in the main summer fishing season (mean loss rate -0.038.day-1; survival 33%). We conclude that size-based acoustic survey methods have the potential to assess within-season fish abundance dynamics, and may prove useful in long-term monitoring of productivity and hence management of boreal aquatic ecosystems. PMID:25875467

  19. Pain: Systematic Review of Pharmacy Compounding of Pain Medication.

    PubMed

    Shawaqfeh, Mohammad S; Harrington, Catherine

    2018-01-01

    There are limited resources available for pharmacists and doctors to reference proper compounded formulas for pain medications. The systematic review discussed within this article provides the foundation for a searchable database, allowing users to find various compounded formulations. It also provides data about the safety and efficacy of the preparations. Compounding information about several drug classes was reviewed. Those drug classes included, but were not limited to, opioids, non-steroidal anti-inflammatory drugs, central nervous system agents, and anesthetics, with evidence that of the various drugs that could be compounded for pain, anesthetics, non-steroidal anti-inflammatory drugs, and opioids ranked highest within the articles researched. Copyright© by International Journal of Pharmaceutical Compounding, Inc.

  20. Determination of Li abundance in Solar type stars of intermediate brightness

    NASA Astrophysics Data System (ADS)

    Amazo-Gómez, E. M.; Hernandez-Águila, B.; Dagostino, M. C.; Bertone, E.; de la Luz, V.

    2014-10-01

    The determination of the lithium abundance in stellar atmospheres is of fundamental importance in multiple contexts of contemporary astrophysics. On the one hand, the lithium present in stars with global sub-solar metal abundances provides a strong restriction on the abundance of this element as a result of primordial nucleo-synthesis. On the other hand, Li can be an age indicator for stars with convective envelopes. Additionally, Li abundance appears to be correlated with the presence of sub-stellar companions. We present preliminary results of a project aimed at determining the Li abundance in an extended sample of solar-like stars (spectral type G and luminosity class V) of intermediate brightness. High resolution spectroscopic data (R=65000) were obtained with the CanHiS echelle spectrograph on the 2.11m telescope of the Guillermo Haro Observatory in Cananea, Sonora, Mexico. We report the equivalent widths of a first sub-sample of 33 stars.

  1. ABUNDANCES IN THE LOCAL REGION. I. G AND K GIANTS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Luck, R. Earle, E-mail: rel2@case.edu

    2015-09-15

    Parameters and abundances for 1133 stars of spectral types F, G, and K of luminosity class III have been derived. In terms of stellar parameters, the primary point of interest is the disagreement between gravities derived with masses determined from isochrones, and gravities determined from an ionization balance. This is not a new result per se, but the size of this sample emphasizes the severity of the problem. A variety of arguments led to the selection of the ionization-balance gravity as the working value. The derived abundances indicate that the giants in the solar region have Sun-like total abundances andmore » abundance ratios. Stellar evolution indicators have also been investigated with the Li abundances and the [C/Fe] and C/O ratios, indicating that standard processing has been operating in these stars. The more salient result for stellar evolution is that the [C/Fe] data across the red-giant clump indicates the presence of mass-dependent mixing in accord with standard stellar evolution predictions.« less

  2. VOLATILE ORGANIC COMPOUNDS (VOCS) CHAPTER 31.

    EPA Science Inventory

    The term "volatile organic compounds' (VOCs) was originally coined to refer, as a class, to carbon-containing chemicals that participate in photochemical reactions in the ambient (outdoor) are. The regulatory definition of VOCs used by the U.S. EPA is: Any compound of carbon, ex...

  3. Microbial cycling of isoprene, the most abundantly produced biological volatile organic compound on Earth.

    PubMed

    McGenity, Terry J; Crombie, Andrew T; Murrell, J Colin

    2018-04-01

    Isoprene (2-methyl-1,3-butadiene), the most abundantly produced biogenic volatile organic compound (BVOC) on Earth, is highly reactive and can have diverse and often detrimental atmospheric effects, which impact on climate and health. Most isoprene is produced by terrestrial plants, but (micro)algal production is important in aquatic environments, and the relative bacterial contribution remains unknown. Soils are a sink for isoprene, and bacteria that can use isoprene as a carbon and energy source have been cultivated and also identified using cultivation-independent methods from soils, leaves and coastal/marine environments. Bacteria belonging to the Actinobacteria are most frequently isolated and identified, and Proteobacteria have also been shown to degrade isoprene. In the freshwater-sediment isolate, Rhodococcus strain AD45, initial oxidation of isoprene to 1,2-epoxy-isoprene is catalyzed by a multicomponent isoprene monooxygenase encoded by the genes isoABCDEF. The resultant epoxide is converted to a glutathione conjugate by a glutathione S-transferase encoded by isoI, and further degraded by enzymes encoded by isoGHJ. Genome sequence analysis of actinobacterial isolates belonging to the genera Rhodococcus, Mycobacterium and Gordonia has revealed that isoABCDEF and isoGHIJ are linked in an operon, either on a plasmid or the chromosome. In Rhodococcus strain AD45 both isoprene and epoxy-isoprene induce a high level of transcription of 22 contiguous genes, including isoABCDEF and isoGHIJ. Sequence analysis of the isoA gene, encoding the large subunit of the oxygenase component of isoprene monooxygenase, from isolates has facilitated the development of PCR primers that are proving valuable in investigating the ecology of uncultivated isoprene-degrading bacteria.

  4. Inhibition of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases.

    PubMed

    Zimmerman, Sabrina A; Ferry, James G; Supuran, Claudiu T

    2007-01-01

    Five independently evolved classes (alpha-, beta-, gamma-, delta-, zeta-) of carbonic anhydrases facilitate the reversible hydration of carbon dioxide to bicarbonate of which the alpha-class is the most extensively studied. Detailed inhibition studies of the alpha-class with the two main classes of inhibitors, sulfonamides and metal-complexing anions, revealed many inhibitors that are used as therapeutic agents to prevent and treat many diseases. Recent inhibitor studies of the archaeal beta-class (Cab) and the gamma-class (Cam) carbonic anhydrases show differences in inhibition response to sulfonamides and metal-complexing anions, when compared to the alpha-class carbonic anhydrases. In addition, inhibition between Cab and Cam differ. These inhibition patterns are consistent with the idea that although, alpha-, beta-, and gamma-class carbonic anhydrases participate in the same two-step isomechanism, diverse active site architecture among these classes predicts variations on the catalytic mechanism. These inhibitor studies of the archaeal beta- and gamma-class carbonic anhydrases give insight to new applications of current day carbonic anhydrase inhibitors, as well as direct research to develop new compounds that may be specific inhibitors of prokaryotic carbonic anhydrases.

  5. Trek and ECCO: Abundance measurements of ultraheavy galactic cosmic rays

    NASA Astrophysics Data System (ADS)

    Westphal, Andrew J.

    2000-06-01

    Using the Trek detector, we have measured the abundances of the heaviest elements (with Z>70) in the galactic cosmic rays with sufficient charge resolution to resolve the even-Z elements. We find that the abundance of Pb compared to Pt is ~3 times lower than the value expected from the most widely-held class of models of the origin of galactic cosmic ray nuclei, that is, origination in a partially ionized medium with solar-like composition. The low abundance of Pb is, however, consistent with the interstellar gas and dust model of Meyer, Drury and Ellison, and with a source enriched in r-process material, proposed by Binns et al. A high-resolution, high-statistics measurement of the abundances of the individual actinides would distinguish between these models. This is the goal of ECCO, the Extremely Heavy Cosmic-ray Composition Observer, which we plan to deploy on the International Space Station. .

  6. Exploring Cancer Therapeutics with Natural Products from African Medicinal Plants, Part I: Xanthones, Quinones, Steroids, Coumarins, Phenolics and other Classes of Compounds.

    PubMed

    Simoben, Conrad V; Ibezim, Akachukwu; Ntie-Kang, Fidele; Nwodo, Justina N; Lifongo, Lydia L

    2015-01-01

    Cancer is known to be the second most common disease-related cause of death among humans. In drug discovery programs anti-cancer chemotherapy remains quite challenging due to issues related to resistance. Plants used in traditional medicine are known to contribute significantly within a large proportion of the African population. A survey of the literature has led to the identification of ~400 compounds from African medicinal plants, which have shown anti-cancer, anti-proliferation, anti-tumor and/or cytotoxic activities, tested by in vitro and in vivo assays (from mildly active to very active), mainly alkaloids, terpenoids, flavonoids, coumarins, phenolics, polyacetylates, xanthones, quinones, steroids and lignans. The first part of this review series focuses on xanthones, quinones, steroids, coumarins, phenolics and other compound classes, while part II is focused on alkaloids, terpenoids, flavonoids.

  7. Sulfur compounds in coal

    NASA Technical Reports Server (NTRS)

    Attar, A.; Corcoran, W. H.

    1977-01-01

    The literature on the chemical structure of the organic sulfur compounds (or functional groups) in coal is reviewed. Four methods were applied in the literature to study the sulfur compounds in coal: direct spectrometric and chemical analysis, depolymerization in drastic conditions, depolymerization in mild conditions, and studies on simulated coal. The data suggest that most of the organic sulfur in coal is in the form of thiophenic structures and aromatic and aliphatic sulfides. The relative abundance of the sulfur groups in bituminous coal is estimated as 50:30:20%, respectively. The ratio changes during processing and during the chemical analysis. The main effects are the transformation during processing of sulfides to the more stable thiophenic compounds and the elimination of hydrogen sulfide.

  8. Inhibition of thioredoxin reductase but not of glutathione reductase by the major classes of alkylating and platinum-containing anticancer compounds.

    PubMed

    Witte, Anne-Barbara; Anestål, Karin; Jerremalm, Elin; Ehrsson, Hans; Arnér, Elias S J

    2005-09-01

    Mammalian thioredoxin reductase (TrxR) is important for cell proliferation, antioxidant defense, and redox signaling. Together with glutathione reductase (GR) it is the main enzyme providing reducing equivalents to many cellular processes. GR and TrxR are flavoproteins of the same enzyme family, but only the latter is a selenoprotein. With the active site containing selenocysteine, TrxR may catalyze reduction of a wide range of substrates, but can at the same time easily be targeted by electrophilic compounds due to the extraordinarily high reactivity of a selenolate moiety. Here we addressed the inhibition of the enzyme by major anticancer alkylating agents and platinum-containing compounds and we compared it to that of GR. We confirmed prior studies suggesting that the nitrosourea carmustine can inhibit both GR and TrxR. We next found, however, that nitrogen mustards (chlorambucil and melphalan) and alkyl sulfonates (busulfan) efficiently inhibited TrxR while these compounds, surprisingly, did not inhibit GR. Inhibitions were concentration and time dependent and apparently irreversible. Anticancer anthracyclines (daunorubicin and doxorubicin) were, in contrast to the alkylating agents, not inhibitors but poor substrates of TrxR. We also found that TrxR, but not GR, was efficiently inhibited by both cisplatin, its monohydrated complex, and oxaliplatin. Carboplatin, in contrast, could not inhibit any of the two enzymes. These findings lead us to conclude that representative compounds of the major classes of clinically used anticancer alkylating agents and most platinum compounds may easily target TrxR, but not GR. The TrxR inhibition should thereby be considered as a factor that may contribute to the cytotoxicity seen upon clinical use of these drugs.

  9. Perfluorinated Compounds: Emerging POPs with Potential Immunotoxicity

    EPA Science Inventory

    Perfluorinated compounds (PFCs) have been recognized as an important class of environmental contaminants commonly detected in blood samples of both wildlife and humans. These compounds have been in use for more than 60 years as surface treatment chemicals, polymerization aids, an...

  10. Sexual dimorphism in the compound eye of Heliconius erato: a nymphalid butterfly with at least five spectral classes of photoreceptor.

    PubMed

    McCulloch, Kyle J; Osorio, Daniel; Briscoe, Adriana D

    2016-08-01

    Most butterfly families expand the number of spectrally distinct photoreceptors in their compound eye by opsin gene duplications together with lateral filter pigments; however, most nymphalid genera have limited diversity, with only three or four spectral types of photoreceptor. Here, we examined the spatial pattern of opsin expression and photoreceptor spectral sensitivities in Heliconius erato, a nymphalid with duplicate ultraviolet opsin genes, UVRh1 and UVRh2 We found that the H. erato compound eye is sexually dimorphic. Females express the two UV opsin proteins in separate photoreceptors, but males do not express UVRh1. Intracellular recordings confirmed that females have three short wavelength-sensitive photoreceptors (λmax=356, ∼390 and 470 nm), while males have two (λmax=390 and ∼470 nm). We also found two long wavelength-sensitive photoreceptors (green, λmax∼555 nm, and red, λmax∼600 nm), which express the same LW opsin. The red cell's shifted sensitivity is probably due to perirhabdomal filtering pigments. Sexual dimorphism of the UV-absorbing rhodopsins may reflect the females' need to discriminate conspecifics from co-mimics. Red-green color vision may be used to detect differences in red coloration on Heliconius wings, or for host-plant identification. Among nymphalids so far investigated, only H. erato is known to possess five spectral classes of photoreceptor; sexual dimorphism of the eye via suppression of one class of opsin (here UVRh1 in males) has not - to our knowledge - been reported in any animal. © 2016. Published by The Company of Biologists Ltd.

  11. Optimized conditions for MDCK permeability and turbidimetric solubility studies using compounds representative of BCS classes I-IV.

    PubMed

    Taub, Mitchell E; Kristensen, Lisbeth; Frokjaer, Sven

    2002-05-01

    The solubility enhancing effects of various excipients, including their compatibility with in vitro permeability (P(app)) systems, was investigated using drugs representative of Biopharmaceutics Classification System (BCS) classes I-IV. Turbidimetric solubility determination using nephelometry and transport experiments using MDCK Strain I cell monolayers were employed. The highest usable concentration of each excipient [dimethyl sulfoxide (DMSO), ethanol, hydroxypropyl-beta-cyclodextrin (HPCD), and sodium taurocholate] was determined by monitoring apical (AP) to basolateral (BL) [14C]mannitol apparent permeability (P(app)) and the transepithelial electrical resistance (TEER) in transport experiments done at pH 6.0 and 7.4. The excipients were used in conjunction with compounds demonstrating relatively low aqueous solubility (amphotericin B, danazol, mefenamic acid, and phenytoin) in order to obtain a drug concentration >50 microM in the donor compartment. The addition of at least one of the selected excipients enhanced the solubility of the inherently poorly soluble compounds to >50 microM as determined via turbidimetric evaluation at pH 6.0 and 7.4. Ethanol and DMSO were found to be generally disruptive to the MDCK monolayer and were not nearly as useful as HPCD and sodium taurocholate. Sodium taurocholate (5 mM) was compatible with MDCK monolayers under all conditions investigated. Additionally, a novel in vitro system aimed at more accurately simulating in vivo conditions, i.e., a pH gradient (6.0 AP/7.4 BL), sodium taurocholate (5 mM, AP), and bovine serum albumin (0.25%, BL), was shown to generate more reliable P(app) values for compounds that are poorly soluble and/or highly protein bound.

  12. X-shooter spectroscopy of young stellar objects in Lupus. Lithium, iron, and barium elemental abundances

    NASA Astrophysics Data System (ADS)

    Biazzo, K.; Frasca, A.; Alcalá, J. M.; Zusi, M.; Covino, E.; Randich, S.; Esposito, M.; Manara, C. F.; Antoniucci, S.; Nisini, B.; Rigliaco, E.; Getman, F.

    2017-09-01

    Aims: With the purpose of performing a homogeneous determination of elemental abundances for members of the Lupus T association, we analyzed three chemical elements: lithium, iron, and barium. The aims were: 1) to derive the lithium abundance for the almost complete sample ( 90%) of known class II stars in the Lupus I, II, III, and IV clouds; 2) to perform chemical tagging of a region where few iron abundance measurements have been obtained in the past, and no determination of the barium content has been done up to now. We also investigated possible barium enhancement at the very young age of the region, as this element has become increasingly interesting in the last few years following the evidence of barium over-abundance in young clusters, the origin of which is still unknown. Methods: Using the X-shooter spectrograph mounted on the Unit 2 (UT2) at the Very Large Telescope (VLT), we analyzed the spectra of 89 cluster members, both class II (82) and class III (7) stars. We measured the strength of the lithium line at λ6707.8 Å and derived the abundance of this element through equivalent width measurements and curves of growth. For six class II stars we also derived the iron and barium abundances using the spectral synthesis method and the code MOOG. The veiling contribution was taken into account in the abundance analysis for all three elements. Results: We find a dispersion in the strength of the lithium line at low effective temperatures and identify three targets with severe Li depletion. The nuclear age inferred for these highly lithium-depleted stars is around 15 Myr, which exceeds by an order of magnitude the isochronal one. We derive a nearly solar metallicity for the members whose spectra could be analyzed. We find that Ba is over-abundant by 0.7 dex with respect to the Sun. Since current theoretical models cannot reproduce this abundance pattern, we investigated whether this unusually large Ba content might be related to effects due to stellar

  13. Triaryl Benzimidazoles as a New Class of Antibacterial Agents against Resistant Pathogenic Microorganisms.

    PubMed

    Picconi, Pietro; Hind, Charlotte; Jamshidi, Shirin; Nahar, Kazi; Clifford, Melanie; Wand, Matthew E; Sutton, J Mark; Rahman, Khondaker Miraz

    2017-07-27

    A new class of nontoxic triaryl benzimidazole compounds, derived from existing classes of DNA minor groove binders, were designed, synthesized, and evaluated for their antibacterial activity against multidrug resistant (MDR) Gram-positive and Gram-negative species. Molecular modeling experiments suggest that the newly synthesized class cannot be accommodated within the minor groove of DNA due to a change in the shape of the molecules. Compounds 8, 13, and 14 were found to be the most active of the series, with MICs in the range of 0.5-4 μg/mL against the MDR Staphylococci and Enterococci species. Compound 13 showed moderate activity against the MDR Gram-negative strains, with MICs in the range of 16-32 μg/mL. Active compounds showed a bactericidal mode of action, and a mechanistic study suggested the inhibition of bacterial gyrase as the mechanism of action (MOA) of this chemical class. The MOA was further supported by the molecular modeling study.

  14. Nontargeted Biomonitoring of Halogenated Organic Compounds in Two Ecotypes of Bottlenose Dolphins (Tursiops truncatus) from the Southern California Bight

    PubMed Central

    2015-01-01

    Targeted environmental monitoring reveals contamination by known chemicals, but may exclude potentially pervasive but unknown compounds. Marine mammals are sentinels of persistent and bioaccumulative contaminants due to their longevity and high trophic position. Using nontargeted analysis, we constructed a mass spectral library of 327 persistent and bioaccumulative compounds identified in blubber from two ecotypes of common bottlenose dolphins (Tursiops truncatus) sampled in the Southern California Bight. This library of halogenated organic compounds (HOCs) consisted of 180 anthropogenic contaminants, 41 natural products, 4 with mixed sources, 8 with unknown sources, and 94 with partial structural characterization and unknown sources. The abundance of compounds whose structures could not be fully elucidated highlights the prevalence of undiscovered HOCs accumulating in marine food webs. Eighty-six percent of the identified compounds are not currently monitored, including 133 known anthropogenic chemicals. Compounds related to dichlorodiphenyltrichloroethane (DDT) were the most abundant. Natural products were, in some cases, detected at abundances similar to anthropogenic compounds. The profile of naturally occurring HOCs differed between ecotypes, suggesting more abundant offshore sources of these compounds. This nontargeted analytical framework provided a comprehensive list of HOCs that may be characteristic of the region, and its application within monitoring surveys may suggest new chemicals for evaluation. PMID:25526519

  15. New class of compounds have very low vapor pressures

    NASA Technical Reports Server (NTRS)

    Angell, C. A.; Gruen, D. M.

    1967-01-01

    Magnesium hexahydrate tetrachlorometallates are 50-volume-percent water, have a high melting point and possess a low vapor pressure. These new compounds are relatively noncorrosive, thermally stable, and water soluble but not hygroscopic. They may have potential applications as cooling fluids.

  16. Characterization of bioactive compounds in Tunisian bitter orange (Citrus aurantium L.) peel and juice and determination of their antioxidant activities.

    PubMed

    Jabri Karoui, Iness; Marzouk, Brahim

    2013-01-01

    Citrus aurantium peel and juice aroma compounds were investigated by gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS), whereas phenolic compounds analysis was performed by reversed-phase high-performance liquid chromatography (RP-HPLC). Limonene was the major volatile compound of bitter orange peel (90.25%) and juice (91.61%). HPLC analysis of bitter orange peel and juice methanolic extracts indicated that phenolic acids constitute their main phenolic class representing 73.80% and 71.25%, respectively, followed by flavonoids (23.02% and 23.13%, resp.). p-Coumaric and ferulic acids were the most abundant phenolic compounds representing 24.68% and 23.79%, respectively, in the peel, while the juice contained 18.02% and 19.04%, respectively. The antioxidant activities of bitter orange peel and juice methanolic extracts have been evaluated using four in vitro assays, and the results were compared with the standard antioxidants (BHT, BHA, and ascorbic acid). Our findings demonstrated that Citrus aurantium peel and juice possess antioxidant activities which were less effective than those of antioxidant standards. Both extracts may be suggested as a new potential source of natural antioxidant.

  17. Characterization of Bioactive Compounds in Tunisian Bitter Orange (Citrus aurantium L.) Peel and Juice and Determination of Their Antioxidant Activities

    PubMed Central

    Jabri karoui, Iness; Marzouk, Brahim

    2013-01-01

    Citrus aurantium peel and juice aroma compounds were investigated by gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS), whereas phenolic compounds analysis was performed by reversed-phase high-performance liquid chromatography (RP-HPLC). Limonene was the major volatile compound of bitter orange peel (90.25%) and juice (91.61%). HPLC analysis of bitter orange peel and juice methanolic extracts indicated that phenolic acids constitute their main phenolic class representing 73.80% and 71.25%, respectively, followed by flavonoids (23.02% and 23.13%, resp.). p-Coumaric and ferulic acids were the most abundant phenolic compounds representing 24.68% and 23.79%, respectively, in the peel, while the juice contained 18.02% and 19.04%, respectively. The antioxidant activities of bitter orange peel and juice methanolic extracts have been evaluated using four in vitro assays, and the results were compared with the standard antioxidants (BHT, BHA, and ascorbic acid). Our findings demonstrated that Citrus aurantium peel and juice possess antioxidant activities which were less effective than those of antioxidant standards. Both extracts may be suggested as a new potential source of natural antioxidant. PMID:23841062

  18. Generalized estimators of avian abundance from count survey data

    USGS Publications Warehouse

    Royle, J. Andrew

    2004-01-01

    I consider modeling avian abundance from spatially referenced bird count data collected according to common protocols such as capture?recapture, multiple observer, removal sampling and simple point counts. Small sample sizes and large numbers of parameters have motivated many analyses that disregard the spatial indexing of the data, and thus do not provide an adequate treatment of spatial structure. I describe a general framework for modeling spatially replicated data that regards local abundance as a random process, motivated by the view that the set of spatially referenced local populations (at the sample locations) constitute a metapopulation. Under this view, attention can be focused on developing a model for the variation in local abundance independent of the sampling protocol being considered. The metapopulation model structure, when combined with the data generating model, define a simple hierarchical model that can be analyzed using conventional methods. The proposed modeling framework is completely general in the sense that broad classes of metapopulation models may be considered, site level covariates on detection and abundance may be considered, and estimates of abundance and related quantities may be obtained for sample locations, groups of locations, unsampled locations. Two brief examples are given, the first involving simple point counts, and the second based on temporary removal counts. Extension of these models to open systems is briefly discussed.

  19. [Detection of organic compounds on Mars].

    PubMed

    Kobayashi, K

    1997-03-01

    McKay et al. detected polycyclic aromatic hydrocarbons (PAHs) in Martian meteorite ALH 84001 by two-step laser mass spectrometry. From the presence of PAHs, together with other results, they concluded that there were past life of Mars. On the other hands, no organisms nor organic compounds were detected in Martian regolith in Viking experiments in 1976. In order to obtain solid evidence for organisms or bioorganic compounds compounds on Mars, further analyses of Martian samples are required. There may be four classes of organic compounds on Mars, which are (i) organic compounds abiotically formed from primitive Mars atmosphere, (ii) Organic compounds delivered out of Mars, (iii) Organic compounds biotically formed by Mars organisms, and (iv) Organic compounds abiotically formed from the present Mars atmosphere. Possible organic compounds on Mars and analytical methods for them are discussed.

  20. The activated sludge ecosystem contains a core community of abundant organisms

    PubMed Central

    Saunders, Aaron M; Albertsen, Mads; Vollertsen, Jes; Nielsen, Per H

    2016-01-01

    Understanding the microbial ecology of a system requires that the observed population dynamics can be linked to their metabolic functions. However, functional characterization is laborious and the choice of organisms should be prioritized to those that are frequently abundant (core) or transiently abundant, which are therefore putatively make the greatest contribution to carbon turnover in the system. We analyzed the microbial communities in 13 Danish wastewater treatment plants with nutrient removal in consecutive years and a single plant periodically over 6 years, using Illumina sequencing of 16S ribosomal RNA amplicons of the V4 region. The plants contained a core community of 63 abundant genus-level operational taxonomic units (OTUs) that made up 68% of the total reads. A core community consisting of abundant OTUs was also observed within the incoming wastewater to three plants. The net growth rate for individual OTUs was quantified using mass balance, and it was found that 10% of the total reads in the activated sludge were from slow or non-growing OTUs, and that their measured abundance was primarily because of immigration with the wastewater. Transiently abundant organisms were also identified. Among them the genus Nitrotoga (class Betaproteobacteria) was the most abundant putative nitrite oxidizer in a number of activated sludge plants, which challenges previous assumptions that Nitrospira (phylum Nitrospirae) are the primary nitrite-oxidizers in activated sludge systems with nutrient removal. PMID:26262816

  1. The Abundance and Distribution of Presolar Materials in Cluster IDPS

    NASA Technical Reports Server (NTRS)

    Messenger, Scott; Keller, Lindsay; Nakamura-Messenger, Keiko; Ito, Motoo

    2007-01-01

    Presolar grains and remnants of interstellar organic compounds occur in a wide range of primitive solar system materials, including meteorites, interplanetary dust particles (IDPs), and comet Wild-2 samples. Among the most abundant presolar phases are silicate stardust grains and molecular cloud material. However, these materials have also been susceptible to destruction and alteration during parent body and nebular processing. In addition to their importance as direct samples of remote and ancient astrophysical environments, presolar materials thus provide a measure of how well different primitive bodies have preserved the original solar system starting materials. The matrix normalized abundances of presolar silicate grains in meteorites range from 20 ppm in Semarkona and Bishunpur to 170 ppm for Acfer 094. The lower abundances of presolar silicates in Bishunpur and Semarkona has been ascribed to the destruction of presolar silicates during aqueous processes. Presolar silicates appear to be significantly more abundant in anhydrous IDPs, possibly because these materials did not experience parent body hydrothermal alteration. Among IDPs the estimated abundances of presolar silicates vary by more than an order of magnitude, from 480 to 5500 ppm. The wide disparity in the abundances of presolar silicates of IDPs may be a consequence of the relatively small total area analyzed in those studies and the fine grain sizes of the IDPs. Alternatively, there may be a wide range in presolar silicate abundances between different IDPs. This view is supported by the observation that 15N-rich IDPs have higher presolar silicate abundances than those with isotopically normal N.

  2. Planetary Nebula Abundances and Morphology: Probing the Chemical Evolution of the Milky Way

    NASA Astrophysics Data System (ADS)

    Stanghellini, Letizia; Guerrero, Martín Antonio; Cunha, Katia; Manchado, Arturo; Villaver, Eva

    2006-11-01

    This paper presents a homogeneous study of abundances in a sample of 79 northern Galactic planetary nebulae (PNe) whose morphological classes have been uniformly determined. Ionic abundances and plasma diagnostics were derived from selected optical line strengths in the literature, and elemental abundances were estimated with the ionization correction factor developed by Kingsbourgh & Barlow in 1994. We compare the elemental abundances to the final yields obtained from stellar evolution models of low- and intermediate-mass stars, and we confirm that most bipolar PNe have high nitrogen and helium abundance and are the likely progeny of stars with main-sequence mass greater than 3 Msolar. We derive =0.27 and discuss the implication of such a high ratio in connection with the solar neon abundance. We determine the Galactic gradients of oxygen and neon and found Δlog(O/H)/ΔR=-0.01 dex kpc-1 and Δlog(Ne/H)/ΔR=-0.01 dex kpc-1. These flat PN gradients are irreconcilable with Galactic metallicity gradients flattening with time.

  3. Interstellar fullerene compounds and diffuse interstellar bands

    NASA Astrophysics Data System (ADS)

    Omont, Alain

    2016-05-01

    Recently, the presence of fullerenes in the interstellar medium (ISM) has been confirmed and new findings suggest that these fullerenes may possibly form from polycyclic aromatic hydrocarbons (PAHs) in the ISM. Moreover, the first confirmed identification of two strong diffuse interstellar bands (DIBs) with the fullerene, C60+, connects the long standing suggestion that various fullerenes could be DIB carriers. These new discoveries justify reassessing the overall importance of interstellar fullerene compounds, including fullerenes of various sizes with endohedral or exohedral inclusions and heterofullerenes (EEHFs). The phenomenology of fullerene compounds is complex. In addition to fullerene formation in grain shattering, fullerene formation from fully dehydrogenated PAHs in diffuse interstellar clouds could perhaps transform a significant percentage of the tail of low-mass PAH distribution into fullerenes including EEHFs. But many uncertain processes make it extremely difficult to assess their expected abundance, composition and size distribution, except for the substantial abundance measured for C60+. EEHFs share many properties with pure fullerenes, such as C60, as regards stability, formation/destruction and chemical processes, as well as many basic spectral features. Because DIBs are ubiquitous in all lines of sight in the ISM, we address several questions about the interstellar importance of various EEHFs, especially as possible carriers of diffuse interstellar bands. Specifically, we discuss basic interstellar properties and the likely contributions of fullerenes of various sizes and their charged counterparts such as C60+, and then in turn: 1) metallofullerenes; 2) heterofullerenes; 3) fulleranes; 4) fullerene-PAH compounds; 5) H2@C60. From this reassessment of the literature and from combining it with known DIB line identifications, we conclude that the general landscape of interstellar fullerene compounds is probably much richer than heretofore realized

  4. Effect of Nitrooxy Compounds with Different Molecular Structures on the Rumen Methanogenesis, Metabolic Profile, and Methanogenic Community.

    PubMed

    Jin, Wei; Meng, Zhenxiang; Wang, Jing; Cheng, Yanfen; Zhu, Weiyun

    2017-08-01

    Rumen in vitro fermentation was used to evaluate the capacity of nitrooxy compounds to mitigate rumen methane production. The following three nitrooxy compounds, each with different molecular structures, were evaluated: 2,2-dimethyl-3-(nitrooxy) propanoic (DNP), N-[2-(Nitrooxy)ethyl]-3-pyridinecarboxamide (NPD), and nitroglycerin (NG). All three compounds substantially decreased the total gas production, methane production, and the acetate:propionate ratio, while increasing hydrogen production. The growth of methanogens was specifically inhibited by all three compounds, without affecting the abundance of bacteria, anaerobic fungi, or protozoa. However, inhibition of methanogenesis required a much higher dose of DNP when compared to NPD or NG. Further investigations were conducted on NG to determine its effects on the methanogenic community. NG reduced the relative abundance of Methanomassiliicoccales, while increasing the relative abundance of Methanobrevibacter and Methanosphaera. Overall, the results suggested that all three of these nitrooxy compounds could specifically inhibit rumen methanogenesis, but NPD and NG were much more efficient than DNP at rumen methane mitigation.

  5. Genomic Repeat Abundances Contain Phylogenetic Signal

    PubMed Central

    Dodsworth, Steven; Chase, Mark W.; Kelly, Laura J.; Leitch, Ilia J.; Macas, Jiří; Novák, Petr; Piednoël, Mathieu; Weiss-Schneeweiss, Hanna; Leitch, Andrew R.

    2015-01-01

    A large proportion of genomic information, particularly repetitive elements, is usually ignored when researchers are using next-generation sequencing. Here we demonstrate the usefulness of this repetitive fraction in phylogenetic analyses, utilizing comparative graph-based clustering of next-generation sequence reads, which results in abundance estimates of different classes of genomic repeats. Phylogenetic trees are then inferred based on the genome-wide abundance of different repeat types treated as continuously varying characters; such repeats are scattered across chromosomes and in angiosperms can constitute a majority of nuclear genomic DNA. In six diverse examples, five angiosperms and one insect, this method provides generally well-supported relationships at interspecific and intergeneric levels that agree with results from more standard phylogenetic analyses of commonly used markers. We propose that this methodology may prove especially useful in groups where there is little genetic differentiation in standard phylogenetic markers. At the same time as providing data for phylogenetic inference, this method additionally yields a wealth of data for comparative studies of genome evolution. PMID:25261464

  6. ACUTE TOXICITY OF SELECTED ORGANIC COMPOUNDS TO FATHEAD MINNOWS

    EPA Science Inventory

    Static nonrenewal laboratory bioassays were conducted with 26 organic compounds commonly used by industry. The selected compounds represented the five following chemical classes: acids, alcohols, hydrocarbons, ketones and aldehydes, and phenols. Juvenile fathead minnows (Pimephal...

  7. Chemical abundances in cold, dark interstellar clouds

    NASA Technical Reports Server (NTRS)

    Irvine, William M.; Kaifu, Norio; Ohishi, Masatoshi

    1991-01-01

    Current tabulations are presented of the entire range of known interstellar molecules, giving attention to that subset which has been identified in the cold, dark interstellar clouds out of which the sun has been suggested to have formed. The molecular abundances of two such clouds, Taurus Molecular Cloud 1 and Lynd's 134N, exhibit prepossessing chemical differences despite considerable physical similarities. This discrepancy may be accounted for by the two clouds' differing evolutionary stages. Two novel classes of interstellar molecules are noted: sulfur-terminated carbon chains and silicon-terminated ones.

  8. Compositions and Abundances of Sulfate-Reducing and Sulfur-Oxidizing Microorganisms in Water-Flooded Petroleum Reservoirs with Different Temperatures in China

    PubMed Central

    Tian, Huimei; Gao, Peike; Chen, Zhaohui; Li, Yanshu; Li, Yan; Wang, Yansen; Zhou, Jiefang; Li, Guoqiang; Ma, Ting

    2017-01-01

    Sulfate-reducing bacteria (SRB) have been studied extensively in the petroleum industry due to their role in corrosion, but very little is known about sulfur-oxidizing bacteria (SOB), which drive the oxidization of sulfur-compounds produced by the activity of SRB in petroleum reservoirs. Here, we surveyed the community structure, diversity and abundance of SRB and SOB simultaneously based on 16S rRNA, dsrB and soxB gene sequencing, and quantitative PCR analyses, respectively in petroleum reservoirs with different physicochemical properties. Similar to SRB, SOB were found widely inhabiting the analyzed reservoirs with high diversity and different structures. The dominant SRB belonged to the classes Deltaproteobacteria and Clostridia, and included the Desulfotignum, Desulfotomaculum, Desulfovibrio, Desulfobulbus, and Desulfomicrobium genera. The most frequently detected potential SOB were Sulfurimonas, Thiobacillus, Thioclava, Thiohalomonas and Dechloromonas, and belonged to Betaproteobacteria, Alphaproteobacteria, and Epsilonproteobacteria. Among them, Desulfovibrio, Desulfomicrobium, Thioclava, and Sulfurimonas were highly abundant in the low-temperature reservoirs, while Desulfotomaculum, Desulfotignum, Thiobacillus, and Dechloromonas were more often present in high-temperature reservoirs. The relative abundances of SRB and SOB varied and were present at higher proportions in the relatively high-temperature reservoirs. Canonical correspondence analysis also revealed that the SRB and SOB communities in reservoirs displayed high niche specificity and were closely related to reservoir temperature, pH of the formation brine, and sulfate concentration. In conclusion, this study extends our knowledge about the distribution of SRB and SOB communities in petroleum reservoirs. PMID:28210252

  9. Abundance of truncated and full-length ChitA and ChitB chitinases in healthy and diseased maize tissues

    USDA-ARS?s Scientific Manuscript database

    Chitinase modifying proteins, cmps, are secreted fungal proteases that combat plant defenses by truncating plant class IV chitinases. We initially discovered that ChitA and ChitB, two plant class IV chitinases that are abundant in developing and mature kernels of corn, are truncated by cmps during e...

  10. Hibiscus sabdariffa L. as a source of nutrients, bioactive compounds and colouring agents.

    PubMed

    Jabeur, Inès; Pereira, Eliana; Barros, Lillian; Calhelha, Ricardo C; Soković, Marina; Oliveira, M Beatriz P P; Ferreira, Isabel C F R

    2017-10-01

    The nutritional and bioactive composition of plants have aroused much interest not only among scientists, but also in people's daily lives. Apart from the health benefits, plants are a source of pigments that can be used as natural food colorants. In this work, the nutritional composition of Hibiscus sabdariffa L. was analysed, as well as its bioactive compounds and natural pigments. Glucose (sugar), malic acid (organic acid), α-tocopherol (tocopherol) and linoleic acid (fatty acid) were the major constituents in the corresponding classes. 5-(Hydroxymethyl) furfural was the most abundant non-anthocyanin compound, while delphinidin-3-O-sambubioside was the major anthocyanin both in its hydroethanolic extract and infusion. H. sabdariffa extracts showed antioxidant and antimicrobial activities, highlighting that the hydroethanol extract presents not only lipid peroxidation inhibition capacity, but also bactericidal/fungicidal inhibition ability for all the bacteria and fungi tested. Furthermore, both extracts revealed the absence of toxicity using porcine primary liver cells. The studied plant species was thus not only interesting for nutritional purposes but also for bioactive and colouring applications in food, cosmetic and pharmaceutical industries. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Compound floating pivot micromechanisms

    DOEpatents

    Garcia, Ernest J.

    2001-04-24

    A new class of tilting micromechanical mechanisms have been developed. These new mechanisms use compound floating pivot structures to attain far greater tilt angles than are practical using other micromechanical techniques. The new mechanisms are also capable of bi-directional tilt about multiple axes.

  12. Abundance and Size Distribution of Cavity Trees in Second-Growth and Old-Growth Central Hardwood Forests

    Treesearch

    Zhaofei Fan; Stephen R. Shifley; Martin A. Spetich; Frank R. Thompson III; David R. Larsen

    2005-01-01

    In central hardwood forests, mean cavity-tree abundance increases with increasing standsize class (seedling/sapling, pole, sawtimber, old-growth). However, within a size class, the number of cavity trees is highly variable among 0.1-ha inventory plots. Plots in young stands are most likely to have no cavity trees, but some plots may have more than 50 cavity trees/ha....

  13. Abundance and size distribution of cavity trees in second-growth and old-growth central hardwood forests

    Treesearch

    Zhaofei Fan; Stephen R. Shifley; Martin A. Spetich; Frank R. Thompson; David R. Larsen

    2005-01-01

    In central hardwood forests, mean cavity-tree abundance increases with increasing standsize class (seedling/sapling, pole, sawtimber, old-growth). However, within a size class, the number of cavity trees is highly variable among 0.1-ha inventory plots. Plots in young stands are most likely to have no cavity trees, but some plots may have more than 50 cavity trees/ha....

  14. Can we use ground-based measurements of HCFCs and HFCs to derive their emissions, lifetimes, and the global OH abundance?

    NASA Astrophysics Data System (ADS)

    Liang, Q.; Chipperfield, M.; Daniel, J. S.; Burkholder, J. B.; Rigby, M. L.; Velders, G. J. M.

    2015-12-01

    The hydroxyl radical (OH) is the major oxidant in the atmosphere. Reaction with OH is the primary removal process for many non-CO2greenhouse gases (GHGs), ozone-depleting substances (ODSs) and their replacements, e.g. hydrochlorofluorocarbons (HCFCs) and hydrofluorocarbons (HFCs). Traditionally, the global OH abundance is inferred using the observed atmospheric rate of change for methyl chloroform (MCF). Due to the Montreal Protocol regulation, the atmospheric abundance of MCF has been decreasing rapidly to near-zero values. It is becoming critical to find an alternative reference compound to continue to provide quantitative information for the global OH abundance. Our model analysis using the NASA 3-D GEOS-5 Chemistry Climate Model suggests that the inter-hemispheric gradients (IHG) of the HCFCs and HFCs show a strong linear correlation with their global emissions. Therefore it is possible to use (i) the observed IHGs of HCFCs and HFCs to estimate their global emissions, and (ii) use the derived emissions and the observed long-term trend to calculate their lifetimes and to infer the global OH abundance. Preliminary analysis using a simple global two-box model (one box for each hemisphere) and information from the global 3-D model suggests that the quantitative relationship between IHG and global emissions varies slightly among individual compounds depending on their lifetime, their emissions history and emission fractions from the two hemispheres. While each compound shows different sensitivity to the above quantities, the combined suite of the HCFCs and HFCs provides a means to derive global OH abundance and the corresponding atmospheric lifetimes of long-lived gases with respect to OH (tOH). The fact that the OH partial lifetimes of these compounds are highly correlated, with the ratio of tOH equal to the reverse ratio of their OH thermal reaction rates at 272K, provides an additional constraint that can greatly reduce the uncertainty in the OH abundance and t

  15. Social class differences in self, attribution, and attention: socially expansive individualism of middle-class Americans.

    PubMed

    Bowman, Nicholas A; Kitayama, Shinobu; Nisbett, Richard E

    2009-07-01

    Although U.S. culture strongly sanctions the ideal of independence, the specific ways in which independence is realized may be variable depending, among other factors, on social class. Characterized by relative scarcity of social and material resources, working-class (WC) Americans were expected to strongly value self-reliance. In contrast, with choices among abundant resources, middle-class (MC) Americans were expected to value personal control and social expansiveness. In support of this analysis, relative to their WC counterparts, MC Americans reported more support from friends and greater likelihood of giving and receiving advice but less self-reliance (Study 1). Furthermore, we found evidence that this social difference has cognitive consequences: College students with MC backgrounds were more likely than their WC counterparts were to endorse situational attributions for others' behavior (Studies 2a and 2b) as well as to show holistic visual attention (Study 3).

  16. Abundant Solar Nebula Solids in Comets

    NASA Technical Reports Server (NTRS)

    Messenger, S.; Keller, L. P.; Nakamura-Messenger, K.; Nguyen, A. N.; Clemett, S.

    2016-01-01

    Comets have been proposed to consist of unprocessed interstellar materials together with a variable amount of thermally annealed interstellar grains. Recent studies of cometary solids in the laboratory have shown that comets instead consist of a wide range of materials from across the protoplanetary disk, in addition to a minor complement of interstellar materials. These advances were made possible by the return of direct samples of comet 81P/Wild 2 coma dust by the NASA Stardust mission and recent advances in microscale analytical techniques. Isotopic studies of 'cometary' chondritic porous interplanetary dust particles (CP-IDPs) and comet 81P/Wild 2 Stardust samples show that preserved interstellar materials are more abundant in comets than in any class of meteorite. Identified interstellar materials include sub-micron-sized presolar silicates, oxides, and SiC dust grains and some fraction of the organic material that binds the samples together. Presolar grain abundances reach 1 weight percentage in the most stardust-rich CP-IDPs, 50 times greater than in meteorites. Yet, order of magnitude variations in presolar grain abundances among CP-IDPs suggest cometary solids experienced significant variations in the degree of processing in the solar nebula. Comets contain a surprisingly high abundance of nebular solids formed or altered at high temperatures. Comet 81P/Wild 2 samples include 10-40 micron-sized, refractory Ca- Al-rich inclusion (CAI)-, chondrule-, and ameboid olivine aggregate (AOA)-like materials. The O isotopic compositions of these refractory materials are remarkably similar to their meteoritic counterparts, ranging from 5 percent enrichments in (sup 16) O to near-terrestrial values. Comet 81P/Wild 2 and CP-IDPs also contain abundant Mg-Fe crystalline and amorphous silicates whose O isotopic compositions are also consistent with Solar System origins. Unlike meteorites, that are dominated by locally-produced materials, comets appear to be composed of

  17. Fluctuations in production and abundance of commercial species in the Red Lakes, Minnesota, with special reference to changes in the walleye population

    USGS Publications Warehouse

    Smith, Lloyd L.; Krefting, Laurits W.

    1954-01-01

    The Red Lakes in northwestern Minnesota comprise 275,000 acres of water which support a commercial fishery producing up to 1.5 million pounds of fish per year. Walleye, Stizostedion vitreum vitreum (Mitchill), and yellow perch, Perca flavescens (Mitchill), are the principal species. Statistics for the past 37 years have been analyzed and fluctuations in the abundance of the important species calculated for the 24-year period, 1930–1953. The fishing is carried on exclusively with 3 1/2-inch-mesh (extension measure) gill nets by Chippewa Indians and the catch is marketed through a cooperative fishery enterprise. There have been wide fluctuations in the abundance of principal species but, although fishing effort has increased greatly during the past few years no trends have developed. Changes in walleye abundance have been shown to be independent of changes or levels of fishing effort, and to be determined by strength of individual year classes. Gear competition has no effect on abundance estimates. Strength of year classes is not correlated with size of brood stock, abundance of competing species, or amount of hatchery fish planted. Weather conditions cannot be correlated with observed changes in strength of year classes. Implications for management include provision of adequate prediction of abundance, and annual adjustment of fishing practices to make greatest use of the available stock. Gear limitations should be designed to secure harvest at optimum size of fish and to provide a suitable economic status for the fisherman.

  18. SEASONAL ABUNDANCE OF ORGANIC MOLECULAR MARKERS IN URBAN PARTICULATE MATTER FROM PHILADELPHIA, PA

    EPA Science Inventory

    Organic molecular markers were measured in airborne particulate matter (PM10) from the City of Philadelphia North Broad Street air quality monitoring site to identify the seasonal abundances of key tracer compounds together with their dominant sources. Daily PM10...

  19. Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.

    PubMed

    Innocenti, Alessio; Zimmerman, Sabrina A; Scozzafava, Andrea; Ferry, James G; Supuran, Claudiu T

    2008-12-01

    Activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases (CAs, EC 4.2.1.1) with a series of natural and non-natural amino acids and aromatic/heterocyclic amines has been investigated. Cab, Zn-Cam and Co-Cam showed an activation profile with natural, L- and D-amino acids very different of those of the alpha-class enzymes CA I, II and III. Most of these compounds showed medium efficacy as archaeal CA activators, except for D-Phe and L-Tyr which were effective Cab activators (K(A)s of 10.3-10.5 microM), 2-pyridylmethylamine and 1-(2-aminoethyl)-piperazine which effectively activated Zn-Cam (K(A)s of 10.1-11.4 microM) and serotonin, L-adrenaline and 2-pyridylmethylamine which were the best Co-Cam activators (K(A)s of 0.97-8.9 microM). We prove here that the activation mechanisms of the alpha-, beta-, and gamma-class CAs are similar, although the activation profiles with various compounds differ dramatically between these diverse enzymes.

  20. Synthesis and in vitro activity of dicationic bis-benzimidazoles as a new class of anti-MRSA and anti-VRE agents.

    PubMed

    Hu, Laixing; Kully, Maureen L; Boykin, David W; Abood, Norman

    2009-03-01

    A new class of novel bis-benzimidazole diamidine compounds have been synthesized and evaluated for in vitro antibacterial activities, including drug-resistant bacterial strains. Anti-MRSA and anti-VRE activities of the most potent compound 1 were more active than Vancomycin. The mechanism of action for this class of compounds appears to be different from existing antibiotics. Bis-benzimidazole diamidine compounds have potential for further investigation as a new class of potent anti-MRSA and anti-VRE agents.

  1. Isotope-abundance variations and atomic weights of selected elements: 2016 (IUPAC Technical Report)

    USGS Publications Warehouse

    Coplen, Tyler B.; Shrestha, Yesha

    2016-01-01

    There are 63 chemical elements that have two or more isotopes that are used to determine their standard atomic weights. The isotopic abundances and atomic weights of these elements can vary in normal materials due to physical and chemical fractionation processes (not due to radioactive decay). These variations are well known for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium), and the standard atomic weight of each of these elements is given by IUPAC as an interval with lower and upper bounds. Graphical plots of selected materials and compounds of each of these elements have been published previously. Herein and at the URL http://dx.doi.org/10.5066/F7GF0RN2, we provide isotopic abundances, isotope-delta values, and atomic weights for each of the upper and lower bounds of these materials and compounds.

  2. Effect of pH, temperature, and moisture on the formation of volatile compounds in glycine/glucose model systems.

    PubMed

    Ames, J M; Guy, R C; Kipping, G J

    2001-09-01

    Mixtures of glycine, glucose, and starch were extrusion cooked using sodium hydroxide at 0, 3, and 6 g/L of extruder water feed, 18% moisture, and 120, 150, and 180 degrees C target die temperatures, giving extrudates with pH values of 5.6, 6.8, and 7.4. Freeze-dried equimolar solutions of glucose and glycine were heated either dry or after equilibration to approximately 13% moisture at 180 degrees C in a reaction-tube system designed to mimic the heating profile in an extruder. Volatile compounds were isolated onto Tenax and analyzed by gas chromatography-mass spectrometry. For the extrudates, total yields of volatiles increased with decreasing pH at 180 degrees C, reached a maximum at pH 6.8 at 150 degrees C, and increased with increasing pH at 120 degrees C. Amounts increased with temperature at all pH values. Pyrazines were the most abundant class for all sets of conditions (54-79% of total volatiles). Pyrroles, ketones, furans, oxazoles, and pyridines were also identified. Yields of volatiles from the reaction-tube samples increased by >60% in the moist system. Levels of individual classes also increased in the presence of moisture, except pyrazines, which decreased approximately 3.5-fold. Twenty-one of the compounds were common to the reaction-tube samples and the extrudates.

  3. Contextual control using a go/no-go procedure with compound abstract stimuli.

    PubMed

    Modenesi, Rafael Diego; Debert, Paula

    2015-05-01

    Contextual control has been described as (1) a five-term contingency, in which the contextual stimulus exerts conditional control over conditional discriminations, and (2) allowing one stimulus to be a member of different equivalence classes without merging them into one. Matching-to-sample is the most commonly employed procedure to produce and study contextual control. The present study evaluated whether the go/no-go procedure with compound stimuli produces equivalence classes that share stimuli. This procedure does not allow the identification of specific stimulus functions (e.g., contextual, conditional, or discriminative functions). If equivalence classes were established with this procedure, then only the latter part of the contextual control definition (2) would be met. Six undergraduate students participated in the present study. In the training phases, responses to AC, BD, and XY compounds with stimuli from the same classes were reinforced, and responses to AC, BD, and XY compounds with stimuli from different classes were not. In addition, responses to X1A1B1, X1A2B2, X2A1B2, and X2A2B1 compounds were reinforced and responses to the other combinations were not. During the tests, the participants had to respond to new combinations of stimuli compounds YCD to indicate the formation of four equivalence classes that share stimuli: X1A1B1Y1C1D1, X1A2B2Y1C2D2, X2A1B2Y2C1D2, and X2A2B1Y2C2D1. Four of the six participants showed the establishment of these classes. These results indicate that establishing contextual stimulus functions is unnecessary to produce equivalence classes that share stimuli. Therefore, these results are inconsistent with the first part of the definition of contextual control. © Society for the Experimental Analysis of Behavior.

  4. Volatile-bearing phases in carbonaceous chondrites: Compositions, modal abundance, and reaction kinetics

    NASA Technical Reports Server (NTRS)

    Ganguly, Jibamitra

    1990-01-01

    The spectral and density characteristics of Phobos and Deimos (the two small natural satellites of Mars) strongly suggest that a significant fraction of the near-earth asteroids are made of carbonaceous chondrites, which are rich in volatile components and, thus, could serve as potential resources for propellants and life supporting systems in future planetary missions. However, in order to develop energy efficient engineering designs for the extraction of volatiles, knowledge of the nature and modal abundance of the minerals in which the volatiles are structurally bound and appropriate kinetic data on the rates of the devolatilization reactions is required. Theoretical calculations to predict the modal abundances and compositions of the major volatile-bearing and other mineral phases that could develop in the bulk compositions of C1 and C2 classes (the most volatile rich classes among the carbonaceous chondrites) were performed as functions of pressure and temperature. The rates of dehydration of talc at 585, 600, 637, and 670 C at P(total) = 1 bar were determine for the reaction: Talc = 3 enstatite + quartz + water. A scanning electron microscopic study was conducted to see if the relative abundance of phases can be determined on the basis of the spectral identification and x ray mapping. The results of this study and the other studies within the project are discussed.

  5. Book review: A new view on the species abundance distribution

    USGS Publications Warehouse

    DeAngelis, Donald L.

    2018-01-01

    The sampled relative abundances of species of a taxonomic group, whether birds, trees, or moths, in a natural community at a particular place vary in a way that suggests a consistent underlying pattern, referred to as the species abundance distribution (SAD). Preston [1] conjectured that the numbers of species, plotted as a histogram of logarithmic abundance classes called octaves, seemed to fit a lognormal distribution; that is, the histograms look like normal distributions, although truncated on the left-hand, or low-species-abundance, end. Although other specific curves for the SAD have been proposed in the literature, Preston’s lognormal distribution is widely cited in textbooks and has stimulated attempts at explanation. An important aspect of Preston’s lognormal distribution is the ‘veil line’, a vertical line drawn exactly at the point of the left-hand truncation in the distribution, to the left of which would be species missing from the sample. Dewdney rejects the lognormal conjecture. Instead, starting with the long-recognized fact that the number of species sampled from a community, when plotted as histograms against population abundance, resembles an inverted J, he presents a mathematical description of an alternative that he calls the ‘J distribution’, a hyperbolic density function truncated at both ends. When multiplied by species richness, R, it becomes the SAD of the sample.

  6. Occurrence and abundance of antibiotic resistance genes in agricultural soil receiving dairy manure.

    PubMed

    McKinney, Chad W; Dungan, Robert S; Moore, Amber; Leytem, April B

    2018-03-01

    Animal manures are commonly used to enhance soil fertility, but there are growing concerns over the impact of this practice on the development and dissemination of antibiotic resistance. The aim of this field study was to determine the effect of annual dairy manure applications on the occurrence and abundance of antibiotic resistance genes (ARGs) in an agricultural soil during four years of crop production. Treatments included (i) control (no fertilizer or manure), (ii) inorganic fertilizer and (iii) dairy manure at three application rates. Quantitative PCR was used to determine absolute (per g dry soil) and relative (per 16S rRNA gene) abundances of ARGs in DNA extracted from soils. Six ARGs and one class 1 integron were targeted. This study found that (i) manure application increases ARG abundances above background soil levels; (ii) the higher the manure application rate, the higher the ARG abundance in soil; (iii) the amount of manure applied is more important than reoccurring annual applications of the same amount of manure; (iv) absolute abundance and occurrence of ARGs decreases with increasing soil depth, but relative abundances remained constant. This study demonstrated that dairy manure applications to soil significantly increase the abundance of clinically relevant ARGs when compared to control and inorganic fertilized plots.

  7. Antimalarial compounds in Phase II clinical development.

    PubMed

    Held, Jana; Jeyaraj, Sankarganesh; Kreidenweiss, Andrea

    2015-03-01

    Malaria is a major health problem in endemic countries and chemotherapy remains the most important tool in combating it. Treatment options are limited and essentially rely on a single drug class - the artemisinins. Efforts are ongoing to restrict the evolving threat of artemisinin resistance but declining sensitivity has been reported. Fueled by the ambitious aim of malaria eradication, novel antimalarial compounds, with improved properties, are now in the progressive phase of drug development. Herein, the authors describe antimalarial compounds currently in Phase II clinical development and present the results of these investigations. Thanks to recent efforts, a number of promising antimalarial compounds are now in the pipeline. First safety data have been generated for all of these candidates, although their efficacy as antimalarials is still unclear for most of them. Of particular note are KAE609, KAF156 and DSM265, which are of chemical scaffolds new to malaria chemotherapy and would truly diversify antimalarial options. Apart from SAR97276, which also has a novel chemical scaffold that has had its development stopped, all other compounds in the pipeline belong to already known substance classes, which have been chemically modified. At this moment in time, there is not one standout compound that will revolutionize malaria treatment but several compounds that will add to its control in the future.

  8. Rapid Reconnaissance Mapping of Volatile Organic Compounds by Photoionization Detection at the USGS Amargosa Desert Research Site

    NASA Astrophysics Data System (ADS)

    Thordsen, J. J.; Stonestrom, D. A.; Conaway, C. H.; Luo, W.; Baker, R. J.; Andraski, B. J.

    2015-12-01

    Two types of handheld photoionization detectors were evaluated in April 2015 for reconnaissance mapping of volatile organic compounds (VOCs) in the unsaturated zone surrounding legacy disposal trenches for commercial low-level radioactive waste near Beatty, Nevada (USA). This method is rapid and cost effective when compared to the more conventional procedure used ate the site, where VOCs are collected on sorbent cartridges in the field followed by thermal desorption, gas chromatographic separation, and quantitation by mass spectroscopy in the laboratory (TD-GC-MS analysis). Using the conventional method, more than sixty distinct compounds have been identified in the 110-m deep unsaturated zone vapor phase, and the changing nature of the VOC mix over a 15-yr timeframe has been recorded. Analyses to date have identified chlorofluorocarbons (CFCs), chlorinated ethenes, chlorinated ethanes, gasoline-range hydrocarbons, chloroform, and carbon tetrachloride as the main classes of VOCs present. The VOC plumes emanating from the various subgroups of trenches are characterized by different relative abundances of the compound classes, and total VOC concentrations that cover several orders of magnitude. One of the photoionization detectors, designed for industrial compliance testing, lacked sufficient dynamic range and sensitivity to be useful. The other, a wide range (1 ppb-20,000 ppm) research-grade instrument with a 10.6 eV photoionization detector (PID) lamp, produced promising results, detecting roughly half of the non-CFC VOCs present. The rapid and inexpensive photoionization method is envisioned as a screening tool to supplement, expedite, and direct the collection of additional samples for TD-GC-MS analyses at this and other VOC-contaminated sites.

  9. Comparing Amino Acid Abundances and Distributions Across Carbonaceous Chondrite Groups

    NASA Technical Reports Server (NTRS)

    Burton, Aaron S.; Callahan, Michael P.; Glavin, Daniel P.; Elsila, Jamie E.; Dworkin, Jason P.

    2012-01-01

    Meteorites are grouped according to bulk properties such as chemical composition and mineralogy. These parameters can vary significantly among the different carbonaceous chondrite groups (CI, CM, CO, CR, CH, CB, CV and CK). We have determined the amino acid abundances of more than 30 primary amino acids in meteorites from each of the eight groups, revealing several interesting trends. There are noticeable differences in the structural diversity and overall abundances of amino acids between meteorites from the different chondrite groups. Because meteorites may have been an important source of amino acids to the prebiotic Earth and these organic compounds are essential for life as we know it, the observed variations of these molecules may have been important for the origins of life.

  10. Experiential or Material Purchases? Social Class Determines Purchase Happiness.

    PubMed

    Lee, Jacob C; Hall, Deborah L; Wood, Wendy

    2018-05-01

    Which should people buy to make themselves happy: experiences or material goods? The answer depends in part on the level of resources already available in their lives. Across multiple studies using a range of methodologies, we found that individuals of higher social class, whose abundant resources make it possible to focus on self-development and self-expression, were made happier by experiential over material purchases. No such experiential advantage emerged for individuals of lower social class, whose lesser resources engender concern with resource management and wise use of limited finances. Instead, lower-class individuals were made happier from material purchases or were equally happy from experiential and material purchases.

  11. Targeting the epigenome: Screening bioactive compounds that regulate histone deacetylase activity

    PubMed Central

    Godoy, Luis D.; Lucas, Julianna E.; Bender, Abigail J.; Romanick, Samantha S.; Ferguson, Bradley S.

    2017-01-01

    Scope Nutrigenomics is a rapidly expanding field that elucidates the link between diet-genome interactions. Recent evidence demonstrates that regulation of the epigenome, and in particular inhibition of HDACs, impact pathogenetic mechanisms involved in chronic disease. Few studies, to date, have screened libraries of bioactive compounds that act as epigenetic modifiers. This study screened a library of 131 natural compounds to determine bioactive compounds that inhibit Zn-dependent HDAC activity. Methods and results Using class-specific HDAC substrates, we screened 131 natural compounds for HDAC activity in bovine cardiac tissue. From this screen, we identified 18 bioactive compound HDAC inhibitors. Using our class-specific HDAC substrates, we next screened these 18 bioactive compounds against recombinant HDAC proteins. Consistent with inhibition of HDAC activity, these compounds were capable of inhibiting activity of individual HDAC isoforms. Lastly, we report that treatment of H9c2 cardiac myoblasts with bioactive HDAC inhibitors was sufficient to increase lysine acetylation as assessed via immunoblot. Conclusion This study provided the first step in identifying multiple bioactive compound HDAC inhibitors. Taken together, this report sets the stage for future exploration of these bioactive compounds as epigenetic regulators to potentially ameliorate chronic disease. PMID:27981795

  12. Elemental abundances and classification of carbon-enhanced metal-poor stars

    NASA Astrophysics Data System (ADS)

    Allen, D. M.; Ryan, S. G.; Rossi, S.; Beers, T. C.; Tsangarides, S. A.

    2012-12-01

    We present a detailed study of carbon-enhanced metal-poor (CEMP) stars, based on high-resolution spectroscopic observations of a sample of 18 stars. The stellar spectra for this sample were obtained at the 4.2 m William Herschel Telescope in 2001 and 2002, using the Utrecht Echelle Spectrograph, at a resolving power R ~ 52 000 and S/N ~ 40, covering the wavelength range λλ3700-5700 Å. The atmospheric parameters determined for this sample indicate temperatures ranging from 4750 K to 7100 K, log g from 1.5 to 4.3, and metallicities -3.0 ≤ [Fe/H] ≤ -1.7. Elemental abundances for C, Na, Mg, Sc, Ti, Cr, Cu, Zn, Sr, Y, Zr, Ba, La, Ce, Nd, Sm, Eu, Gd, Dy are determined. Abundances for an additional 109 stars were taken from the literature and combined with the data of our sample. The literature sample reveals a lack of reliable abundance estimates for species that might be associated with the r-process elements for about 67% of CEMP stars, preventing a complete understanding of this class of stars, since [Ba/Eu] ratios are used to classify them. Although eight stars in our observed sample are also found in the literature sample, Eu abundances or limits are determined for four of these stars for the first time. From the observed correlations between C, Ba, and Eu, we argue that the CEMP-r/s class has the same astronomical origin as CEMP-s stars, highlighting the need for a more complete understanding of Eu production. Tables 1, 3, 4, 8-10, A.1, and B.1-B.4 are available in electronic form at http://www.aanda.orgFull Tables 2, 5, and 7 are only available at the CDS via anonymous ftp to cdsarc.u-strasbg.fr (130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/548/A34

  13. Microsatellite abundance across the Anthozoa and Hydrozoa in the phylum Cnidaria.

    PubMed

    Ruiz-Ramos, Dannise V; Baums, Iliana B

    2014-10-27

    Microsatellite loci have high mutation rates and thus are indicative of mutational processes within the genome. By concentrating on the symbiotic and aposymbiotic cnidarians, we investigated if microsatellite abundances follow a phylogenetic or ecological pattern. Individuals from eight species were shotgun sequenced using 454 GS-FLX Titanium technology. Sequences from the three available cnidarian genomes (Nematostella vectensis, Hydra magnipapillata and Acropora digitifera) were added to the analysis for a total of eleven species representing two classes, three subclasses and eight orders within the phylum Cnidaria. Trinucleotide and tetranucleotide repeats were the most abundant motifs, followed by hexa- and dinucleotides. Pentanucleotides were the least abundant motif in the data set. Hierarchical clustering and log likelihood ratio tests revealed a weak relationship between phylogeny and microsatellite content. Further, comparisons between cnidaria harboring intracellular dinoflagellates and those that do not, show microsatellite coverage is higher in the latter group. Our results support previous studies that found tri- and tetranucleotides to be the most abundant motifs in invertebrates. Differences in microsatellite coverage and composition between symbiotic and non-symbiotic cnidaria suggest the presence/absence of dinoflagellates might place restrictions on the host genome.

  14. Abundance and reactivity of dibenzodioxocins in softwood lignin.

    PubMed

    Argyropoulos, Dimitris S; Jurasek, Lubo; Kristofová, Lívia; Xia, Zhicheng; Sun, Yujun; Palus, Ernest

    2002-02-13

    To define the abundance and comprehend the reactivity of dibenzodioxocins in lignin, model compound studies, specific degradation experiments on milled wood lignin, and molecular modeling calculations have been performed. Quantitative (31)P NMR measurements of the increase of biphenolic hydroxyl groups formed after a series of alkaline degradations in the presence of hydrosulfide anions (kraft conditions) showed the presence of 3.7 dibenzodioxocin rings/100 C9 units in milled wood lignin. The DFRC degradation protocol (Derivatization Followed by Reductive Cleavage) was chosen as an independent means to estimate their abundance. Initial experiments with a dibenzodioxocin model compound, trans-6,7-dihydro-7-(4-hydroxy-3-methoxyphenyl)-4,9-dimethoxy-2,11-dipropyldibenzo[e,g][1,4]dioxocin-6-ylmethanol, showed that it is not cleaved under DFRC conditions, but rather it isomerizes into a cyclic oxepine structure. Steric effects precluded this isomerization from occurring when DFRC was applied to milled wood lignin. Instead, monoacetylated biphenolic moieties were released and quantified by (31)P NMR, at 4.3 dibenzodioxocin rings/100 C9 units. The dibenzodioxocin content in residual lignins isolated from kraft pulps delignified to various degrees showed that during pulp delignification, the initial rate of dibenzodioxocin removal was considerably greater than the cleavage rate of arylglycerol-beta-aryl ether bonds. The activation energy for the degradation of dibenzodioxocins under kraft conditions in milled wood lignin was 96 +/- 9 kJ/mol, similar to that of arylglycerol-beta-aryl ether bond cleavage.

  15. Change in avian abundance predicted from regional forest inventory data

    USGS Publications Warehouse

    Twedt, Daniel J.; Tirpak, John M.; Jones-Farrand, D. Todd; Thompson, Frank R.; Uihlein, William B.; Fitzgerald, Jane A.

    2010-01-01

    An inability to predict population response to future habitat projections is a shortcoming in bird conservation planning. We sought to predict avian response to projections of future forest conditions that were developed from nationwide forest surveys within the Forest Inventory and Analysis (FIA) program. To accomplish this, we evaluated the historical relationship between silvicolous bird populations and FIA-derived forest conditions within 25 ecoregions that comprise the southeastern United States. We aggregated forest area by forest ownership, forest type, and tree size-class categories in county-based ecoregions for 5 time periods spanning 1963-2008. We assessed the relationship of forest data with contemporaneous indices of abundance for 24 silvicolous bird species that were obtained from Breeding Bird Surveys. Relationships between bird abundance and forest inventory data for 18 species were deemed sufficient as predictive models. We used these empirically derived relationships between regional forest conditions and bird populations to predict relative changes in abundance of these species within ecoregions that are anticipated to coincide with projected changes in forest variables through 2040. Predicted abundances of these 18 species are expected to remain relatively stable in over a quarter (27%) of the ecoregions. However, change in forest area and redistribution of forest types will likely result in changed abundance of some species within many ecosystems. For example, abundances of 11 species, including pine warbler (Dendroica pinus), brown-headed nuthatch (Sitta pusilla), and chuckwills- widow (Caprimulgus carolinensis), are projected to increase within more ecoregions than ecoregions where they will decrease. For 6 other species, such as blue-winged warbler (Vermivora pinus), Carolina wren (Thryothorus ludovicianus), and indigo bunting (Passerina cyanea), we projected abundances will decrease within more ecoregions than ecoregions where they will

  16. Silylation of C-H bonds in aromatic heterocycles by an Earth-abundant metal catalyst

    NASA Astrophysics Data System (ADS)

    Toutov, Anton A.; Liu, Wen-Bo; Betz, Kerry N.; Fedorov, Alexey; Stoltz, Brian M.; Grubbs, Robert H.

    2015-02-01

    Heteroaromatic compounds containing carbon-silicon (C-Si) bonds are of great interest in the fields of organic electronics and photonics, drug discovery, nuclear medicine and complex molecule synthesis, because these compounds have very useful physicochemical properties. Many of the methods now used to construct heteroaromatic C-Si bonds involve stoichiometric reactions between heteroaryl organometallic species and silicon electrophiles or direct, transition-metal-catalysed intermolecular carbon-hydrogen (C-H) silylation using rhodium or iridium complexes in the presence of excess hydrogen acceptors. Both approaches are useful, but their limitations include functional group incompatibility, narrow scope of application, high cost and low availability of the catalysts, and unproven scalability. For this reason, a new and general catalytic approach to heteroaromatic C-Si bond construction that avoids such limitations is highly desirable. Here we report an example of cross-dehydrogenative heteroaromatic C-H functionalization catalysed by an Earth-abundant alkali metal species. We found that readily available and inexpensive potassium tert-butoxide catalyses the direct silylation of aromatic heterocycles with hydrosilanes, furnishing heteroarylsilanes in a single step. The silylation proceeds under mild conditions, in the absence of hydrogen acceptors, ligands or additives, and is scalable to greater than 100 grams under optionally solvent-free conditions. Substrate classes that are difficult to activate with precious metal catalysts are silylated in good yield and with excellent regioselectivity. The derived heteroarylsilane products readily engage in versatile transformations enabling new synthetic strategies for heteroaromatic elaboration, and are useful in their own right in pharmaceutical and materials science applications.

  17. The impact of habitat fragmentation on tsetse abundance on the plateau of eastern Zambia.

    PubMed

    Ducheyne, E; Mweempwa, C; De Pus, C; Vernieuwe, H; De Deken, R; Hendrickx, G; Van den Bossche, P

    2009-09-01

    Tsetse-transmitted human or livestock trypanosomiasis is one of the major constraints to rural development in sub-Saharan Africa. The epidemiology of the disease is determined largely by tsetse fly density. A major factor, contributing to tsetse population density is the availability of suitable habitat. In large parts of Africa, encroachment of people and their livestock resulted in a destruction and fragmentation of such suitable habitat. To determine the effect of habitat change on tsetse density a study was initiated in a tsetse-infested zone of eastern Zambia. The study area represents a gradient of habitat change, starting from a zone with high levels of habitat destruction and ending in an area where livestock and people are almost absent. To determine the distribution and density of the fly, tsetse surveys were conducted throughout the study area in the dry and in the rainy season. Landsat ETM+ imagery covering the study area were classified into four land cover classes (munga, miombo, agriculture and settlements) and two auxiliary spectral classes (clouds and shadow) using a Gaussian Maximum Likelihood Classifier. The classes were regrouped into natural vegetation and agricultural zone. The binary images were overlaid with hexagons to obtain the spatial spectrum of spatial pattern. Hexagonal coverage was selected because of its compact and regular form. To identify scale-specific spatial patterns and associated entomological phenomena, the size of the hexagonal coverage was varied (250 and 500 m). Per coverage, total class area, mean patch size, number of patches and patch size standard deviation were used as fragmentation indices. Based on the fragmentation index values, the study zone was classified using a Partitioning Around Mediods (PAM) method. The number of classes was determined using the Wilks' lambda coefficient. To determine the impact of habitat fragmentation on tsetse abundance, the correlation between the fragmentation indices and the index

  18. Lipophilic extracts of Cynara cardunculus L. var. altilis (DC): a source of valuable bioactive terpenic compounds.

    PubMed

    Ramos, Patrícia A B; Guerra, Ângela R; Guerreiro, Olinda; Freire, Carmen S R; Silva, Artur M S; Duarte, Maria F; Silvestre, Armando J D

    2013-09-04

    Lipophilic extracts of Cynara cardunculus L. var. altilis (DC) from the south of Portugal (Baixo Alentejo) were studied by gas chromatography-mass spectrometry. One sesquiterpene lactone, four pentacyclic triterpenes, and four sterols were reported for the first time as cultivated cardoon components, namely, deacylcynaropicrin, β- and α-amyrin, lupenyl and ψ-taraxasteryl acetates, stigmasterol, 24-methylenecholesterol, campesterol, and Δ(5)-avenasterol. In addition, other new compounds were identified: ten fatty acids, eight long-chain aliphatic alcohols, and six aromatic compounds. Four triterpenyl fatty acid esters were also detected. Sesquiterpene lactones and pentacyclic triterpenes were the major lipophilic families, representing respectively 2-46% and 10-89% of the detected compounds. Cynaropicrin was the most abundant sesquiterpene lactone, while taraxasteryl acetate was the main pentacyclic triterpene. Fatty acids and sterols, mainly hexadecanoic acid and β-sitosterol, were present at lower amounts (1-20% and 1-11% of the detected compounds). Long-chain aliphatic alcohols and aromatic compounds were detected at reduced abundances (1-6% of the detected compounds).

  19. Landscape models of brook trout abundance and distribution in lotic habitat with field validation

    USGS Publications Warehouse

    McKenna, James E.; Johnson, James H.

    2011-01-01

    Brook trout Salvelinus fontinalis are native fish in decline owing to environmental changes. Predictions of their potential distribution and a better understanding of their relationship to habitat conditions would enhance the management and conservation of this valuable species. We used over 7,800 brook trout observations throughout New York State and georeferenced, multiscale landscape condition data to develop four regionally specific artificial neural network models to predict brook trout abundance in rivers and streams. Land cover data provided a general signature of human activity, but other habitat variables were resistant to anthropogenic changes (i.e., changing on a geological time scale). The resulting models predict the potential for any stream to support brook trout. The models were validated by holding 20% of the data out as a test set and by comparison with additional field collections from a variety of habitat types. The models performed well, explaining more than 90% of data variability. Errors were often associated with small spatial displacements of predicted values. When compared with the additional field collections (39 sites), 92% of the predictions were off by only a single class from the field-observed abundances. Among “least-disturbed” field collection sites, all predictions were correct or off by a single abundance class, except for one where brown trout Salmo trutta were present. Other degrading factors were evident at most sites where brook trout were absent or less abundant than predicted. The most important habitat variables included landscape slope, stream and drainage network sizes, water temperature, and extent of forest cover. Predicted brook trout abundances were applied to all New York streams, providing a synoptic map of the distribution of brook trout habitat potential. These fish models set benchmarks of best potential for streams to support brook trout under broad-scale human influences and can assist with planning and

  20. 2-Hydroxyterpenylic acid: An oxygenated marker compound for a-pinene secondary organic aerosol in ambient fine aerosol

    EPA Science Inventory

    An oxygenated MW 188 compound is commonly observed in substantial abundance in atmospheric aerosol samples and was proposed in previous studies as an α-pinene-related marker compound that is associated with aging processes. Owing to difficulties in producing this compound in suff...

  1. Size-sex variation in survival rates and abundance of pig frogs, Rana grylio, in northern Florida wetlands

    USGS Publications Warehouse

    Wood, K.V.; Nichols, J.D.; Percival, H.F.; Hines, J.E.

    1998-01-01

    During 1991-1993, we conducted capture-recapture studies on pig frogs, Rana grylio, in seven study locations in northcentral Florida. Resulting data were used to test hypotheses about variation in survival probability over different size-sex classes of pig frogs. We developed multistate capture-recapture models for the resulting data and used them to estimate survival rates and frog abundance. Tests provided strong evidence of survival differences among size-sex classes, with adult females showing the highest survival probabilities. Adult males and juvenile frogs had lower survival rates that were similar to each other. Adult females were more abundant than adult males in most locations at most sampling occasions. We recommended probabilistic capture-recapture models in general, and multistate models in particular, for robust estimation of demographic parameters in amphibian populations.

  2. Recent changes in the walleye fishery of northern Green Bay and history of the 1943 year class

    USGS Publications Warehouse

    Pycha, Richard L.

    1961-01-01

    Production, fishing intensity, and availability of walleyes (Stizostedion vitreum vitreum) fluctuated widely in the commercial fishery of northern Green Bay in 1929-57. The catch ranged from 16,000 pounds (8 percent of average for the 1929-53 base period) in 1942 to 1,294,000 pounds (633 percent) in 1950. The index of fishing intensity ranged from 17 (1941) to 400 (1950) and that of abundance from 47 (1929) to 222 (1955). Production and fishing intensity were consistently above average in 1947-57; abundance exceeded the average in 8 of these years. The fishery statistics and records of age and size composition of commercial landings of walleyes in the spring and fall fishing seasons of 1949-58 (scale samples were taken from a total of 1,631 fish) were the basis for a study of recent changes in the walleye fishery with particular reference to the effects of fluctuations in the strength of year classes. The 1943 year class, by a wide margin, exceeded all others in the estimated total number (1,173,000 fish) and weight (3,355,000 pounds) contributed to commercial landings. This year class was a major factor in the sharp rise in production and abundance after 1945 and the all-time record catch of 1950. In contrast, certain other year classes (1945, 1946, 1948) have contributed totals as small as 16,000 to 52,000 pounds. The abundance of the 1950, 1951, and 1952 year classes approached or exceeded that of the 1943 year class at the lesser ages (through the IV group), but these more recent classes disappeared from the fishery so rapidly that their total contributions were relatively low. The indicated increase of mortality in the middle 1950's cannot be attributed to increase in the rate of commercial exploitation. Evidence is offered that the heightened mortality rate resulted from expansion of the sport fishery.

  3. Guest Comment: Polyfluorinated Compounds Focus Issue

    EPA Science Inventory

    Over the past decade, a great deal has been learned about the perfluoroalkyl acids (PFAAs), a new class of environmental contaminants that includes the now well-known perfluorooctane sulfonate (PFOS), perfluorooctanoic acid (PFOA), and many other related compounds. These mater...

  4. Methanol ice VUV photoprocessing: GC-MS analysis of volatile organic compounds

    NASA Astrophysics Data System (ADS)

    Abou Mrad, Ninette; Duvernay, Fabrice; Chiavassa, Thierry; Danger, Grégoire

    2016-05-01

    Next to water, methanol is one of the most abundant molecules in astrophysical ices. A new experimental approach is presented here for the direct monitoring via gas chromatography coupled to mass spectrometry (GC-MS) of a sublimating photoprocessed pure methanol ice. Unprecedentedly, in a same analysis, compelling evidences for the formation of 33 volatile organic compounds are provided. The latter are C1-C6 products including alcohols, aldehydes, ketones, esters, ethers and carboxylic acids. Few C3 and all C4 detected compounds have been identified for the first time. Tentative detections of few C5 and C6 compounds are also presented. GC-MS allows for the first time the direct quantification of C2-C4 photoproducts and shows that their abundances decrease with the increase of their carbon chain length. These qualitative and quantitative measurements provide important complementary results to previous experiments, and present interesting similarities with observations of sources rich in methanol.

  5. Abundance and Characterization of Perfect Microsatellites on the Cattle Y Chromosome.

    PubMed

    Ma, Zhi-Jie

    2017-07-03

    Microsatellites or simple sequence repeats (SSRs) are found in most organisms and play an important role in genomic organization and function. To characterize the abundance of SSRs (1-6 base-pairs [bp]) on the cattle Y chromsome, the relative frequency and density of perfect or uninterrupted SSRs based on the published Y chromosome sequence were examined. A total of 17,273 perfect SSRs were found, with total length of 324.78 kb, indicating that approximately 0.75% of the cattle Y chromosome sequence (43.30 Mb) comprises perfect SSRs, with an average length of 18.80 bp. The relative frequency and density were 398.92 loci/Mb and 7500.62 bp/Mb, respectively. The proportions of the six classes of perfect SSRs were highly variable on the cattle Y chromosome. Mononucleotide repeats had a total number of 8073 (46.74%) and an average length of 15.45 bp, and were the most abundant SSRs class, while the percentages of di-, tetra-, tri-, penta-, and hexa-nucleotide repeats were 22.86%, 11.98%, 11.58%, 6.65%, and 0.19%, respectively. Different classes of SSRs varied in their repeat number, with the highest being 42 for dinucleotides. Results reveal that repeat categories A, AC, AT, AAC, AGC, GTTT, CTTT, ATTT, and AACTG predominate on the Y chromosome. This study provides insight into the organization of cattle Y chromosome repetitive DNA, as well as information useful for developing more polymorphic cattle Y-chromosome-specific SSRs.

  6. Targeting the epigenome: Screening bioactive compounds that regulate histone deacetylase activity.

    PubMed

    Godoy, Luis D; Lucas, Julianna E; Bender, Abigail J; Romanick, Samantha S; Ferguson, Bradley S

    2017-04-01

    Nutrigenomics is a rapidly expanding field that elucidates the link between diet-genome interactions. Recent evidence demonstrates that regulation of the epigenome, and in particular inhibition of histone deacetylases (HDACs), impact pathogenetic mechanisms involved in chronic disease. Few studies, to date, have screened libraries of bioactive compounds that act as epigenetic modifiers. This study screened a library of 131 natural compounds to determine bioactive compounds that inhibit Zn-dependent HDAC activity. Using class-specific HDAC substrates, we screened 131 natural compounds for HDAC activity in bovine cardiac tissue. From this screen, we identified 18 bioactive compound HDAC inhibitors. Using our class-specific HDAC substrates, we next screened these 18 bioactive compounds against recombinant HDAC proteins. Consistent with inhibition of HDAC activity, these compounds were capable of inhibiting activity of individual HDAC isoforms. Lastly, we report that treatment of H9c2 cardiac myoblasts with bioactive HDAC inhibitors was sufficient to increase lysine acetylation as assessed via immunoblot. This study provided the first step in identifying multiple bioactive compound HDAC inhibitors. Taken together, this report sets the stage for future exploration of these bioactive compounds as epigenetic regulators to potentially ameliorate chronic disease. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Environmental exposure to preformed nitroso compounds.

    PubMed

    Tricker, A R; Spiegelhalder, B; Preussmann, R

    1989-01-01

    In the human environment, nitrosatable amine precursors to N-nitroso compounds and nitrosating species such as nitrite and oxides of nitrogen are abundant. As a result, the formation of N-nitroso compounds and human exposure to these compounds show a rather complex pattern. The largest known human exposures to exogenous N-nitrosamines occur in the work place. This is particularly evident in the rubber and tyre manufacturing industry and in metal cutting and grinding shops. Nearly all industries which are concerned with the production and/or use of amines have a related nitrosamine problem. Outside the industrial environment, commodities such as cosmetics, pharmaceuticals, rubber and household products, which are either prepared from amines or contain high concentrations of amino compounds, may be subject to contamination by low concentrations of N-nitroso compounds. This contamination may result from the use of contaminated starting materials, in particular amines, or from the formation of N-nitroso compounds during manufacturing processes. A similar problem exists with agricultural chemicals. As our knowledge of the occurrence and formation of N-nitroso compounds in the environment increases, preventive measures can be introduced, particularly in manufacturing industries, to reduce the levels of human exposure to nitrosamines in the work place and to protect the consumer from nitrosamine exposure from household commodities.

  8. Abundance of introduced species at home predicts abundance away in herbaceous communities

    USGS Publications Warehouse

    Firn, Jennifer; Moore, Joslin L.; MacDougall, Andrew S.; Borer, Elizabeth T.; Seabloom, Eric W.; HilleRisLambers, Janneke; Harpole, W. Stanley; Cleland, Elsa E.; Brown, Cynthia S.; Knops, Johannes M.H.; Prober, Suzanne M.; Pyke, David A.; Farrell, Kelly A.; Bakker, John D.; O'Halloran, Lydia R.; Adler, Peter B.; Collins, Scott L.; D'Antonio, Carla M.; Crawley, Michael J.; Wolkovich, Elizabeth M.; La Pierre, Kimberly J.; Melbourne, Brett A.; Hautier, Yann; Morgan, John W.; Leakey, Andrew D.B.; Kay, Adam; McCulley, Rebecca; Davies, Kendi F.; Stevens, Carly J.; Chu, Cheng-Jin; Holl, Karen D.; Klein, Julia A.; Fay, Phillip A.; Hagenah, Nicole; Kirkman, Kevin P.; Buckley, Yvonne M.

    2011-01-01

    Many ecosystems worldwide are dominated by introduced plant species, leading to loss of biodiversity and ecosystem function. A common but rarely tested assumption is that these plants are more abundant in introduced vs. native communities, because ecological or evolutionary-based shifts in populations underlie invasion success. Here, data for 26 herbaceous species at 39 sites, within eight countries, revealed that species abundances were similar at native (home) and introduced (away) sites - grass species were generally abundant home and away, while forbs were low in abundance, but more abundant at home. Sites with six or more of these species had similar community abundance hierarchies, suggesting that suites of introduced species are assembling similarly on different continents. Overall, we found that substantial changes to populations are not necessarily a pre-condition for invasion success and that increases in species abundance are unusual. Instead, abundance at home predicts abundance away, a potentially useful additional criterion for biosecurity programmes.

  9. Aqua mediated synthesis of bio-active compounds.

    PubMed

    Panda, Siva S

    2013-05-01

    Recently the aqueous medium has attracted the interest of organic chemists, and many. Moreover, in the past 20 years, the drug-discovery process has undergone extraordinary changes, and high-throughput biological screening of potential drug candidates has led to an ever-increasing demand for novel drug-like compounds. Noteworthy advantages were observed during the course of study on aqua mediated synthesis of compounds of medicinal importance. The established advantages of water as a solvent for reactions are, water is the most abundant and available resource on the planet and many biochemical processes occur in aqueous medium. This review will focus on describing new developments in the application of water in medicinal chemistry for the synthesis of bio-active compounds possessing various biological properties.

  10. Novel ocular antihypertensive compounds in clinical trials

    PubMed Central

    Chen, June; Runyan, Stephen A; Robinson, Michael R

    2011-01-01

    Introduction: Glaucoma is a multifactorial disease characterized by progressive optic nerve injury and visual field defects. Elevated intraocular pressure (IOP) is the most widely recognized risk factor for the onset and progression of open-angle glaucoma, and IOP-lowering medications comprise the primary treatment strategy. IOP elevation in glaucoma is associated with diminished or obstructed aqueous humor outflow. Pharmacotherapy reduces IOP by suppressing aqueous inflow and/or increasing aqueous outflow. Purpose: This review focuses on novel non-FDA approved ocular antihypertensive compounds being investigated for IOP reduction in ocular hypertensive and glaucoma patients in active clinical trials within approximately the past 2 years. Methods: The mode of IOP reduction, pharmacology, efficacy, and safety of these new agents were assessed. Relevant drug efficacy and safety trials were identified from searches of various scientific literature databases and clinical trial registries. Compounds with no specified drug class, insufficient background information, reformulations, and fixed-combinations of marketed drugs were not considered. Results: The investigational agents identified comprise those that act on the same targets of established drug classes approved by the FDA (ie, prostaglandin analogs and β-adrenergic blockers) as well as agents belonging to novel drug classes with unique mechanisms of action. Novel targets and compounds evaluated in clinical trials include an actin polymerization inhibitor (ie, latrunculin), Rho-associated protein kinase inhibitors, adenosine receptor analogs, an angiotensin II type 1 receptor antagonist, cannabinoid receptor agonists, and a serotonin receptor antagonist. Conclusion: The clinical value of novel compounds for the treatment of glaucoma will depend ultimately on demonstrating favorable efficacy and benefit-to-risk ratios relative to currently approved prostaglandin analogs and β-blockers and/or having complementary

  11. A class of tricyclic compounds blocking malaria parasite oocyst development and transmission.

    PubMed

    Eastman, Richard T; Pattaradilokrat, Sittiporn; Raj, Dipak K; Dixit, Saurabh; Deng, Bingbing; Miura, Kazutoyo; Yuan, Jing; Tanaka, Takeshi Q; Johnson, Ronald L; Jiang, Hongying; Huang, Ruili; Williamson, Kim C; Lambert, Lynn E; Long, Carole; Austin, Christopher P; Wu, Yimin; Su, Xin-Zhuan

    2013-01-01

    Malaria is a deadly infectious disease in many tropical and subtropical countries. Previous efforts to eradicate malaria have failed, largely due to the emergence of drug-resistant parasites, insecticide-resistant mosquitoes and, in particular, the lack of drugs or vaccines to block parasite transmission. ATP-binding cassette (ABC) transporters are known to play a role in drug transport, metabolism, and resistance in many organisms, including malaria parasites. To investigate whether a Plasmodium falciparum ABC transporter (Pf14_0244 or PfABCG2) modulates parasite susceptibility to chemical compounds or plays a role in drug resistance, we disrupted the gene encoding PfABCG2, screened the recombinant and the wild-type 3D7 parasites against a library containing 2,816 drugs approved for human or animal use, and identified an antihistamine (ketotifen) that became less active against the PfABCG2-disrupted parasite in culture. In addition to some activity against asexual stages and gametocytes, ketotifen was highly potent in blocking oocyst development of P. falciparum and the rodent parasite Plasmodium yoelii in mosquitoes. Tests of structurally related tricyclic compounds identified additional compounds with similar activities in inhibiting transmission. Additionally, ketotifen appeared to have some activity against relapse of Plasmodium cynomolgi infection in rhesus monkeys. Further clinical evaluation of ketotifen and related compounds, including synthetic new derivatives, in blocking malaria transmission may provide new weapons for the current effort of malaria eradication.

  12. Characterization and quantification of phenolic compounds in four tomato (Lycopersicon esculentum L.) farmers' varieties in northeastern Portugal homegardens.

    PubMed

    Barros, Lillian; Dueñas, Montserrat; Pinela, José; Carvalho, Ana Maria; Buelga, Celestino Santos; Ferreira, Isabel C F R

    2012-09-01

    Tomato (Lycopersicon esculentum L.) is one of the most widely consumed fresh and processed vegetables in the world, and contains bioactive key components. Phenolic compounds are one of those components and, according to the present study, farmers' varieties of tomato cultivated in homegardens from the northeastern Portuguese region are a source of phenolic compounds, mainly phenolic acid derivatives. Using HPLC-DAD-ESI/MS, it was concluded that a cis p-coumaric acid derivative was the most abundant compound in yellow (Amarelo) and round (Batateiro) tomato varieties, while 4-O-caffeolyquinic acid was the most abundant in long (Comprido) and heart (Coração) varieties. The most abundant flavonoid was quercetin pentosylrutinoside in the four tomato varieties. Yellow tomato presented the highest levels of phenolic compounds (54.23 μg/g fw), including phenolic acids (43.30 μg/g fw) and flavonoids (10.93 μg/g fw). The phenolic compounds profile obtained for the studied varieties is different from other tomato varieties available in different countries, which is certainly related to genetic features, cultivation conditions, and handling and storage methods associated to each sample.

  13. Anaphylaxis induced by ingestion of a pollen compound.

    PubMed

    Chivato, T; Juan, F; Montoro, A; Laguna, R

    1996-01-01

    We report on the case of a 32-year-old atopic patient who showed a severe anaphylactic reaction due to the ingestion of a pollen compound prepared in an herbalist's. A few minutes after ingestion, generalized pruritus, difuse erythema, facial edema, cough, hoarseness and dysphonia appeared, and the emergency administration of subcutaneous epinephrine and intravenous methylprednisolone was necessary. Skin tests with a battery of inhalants and food allergens were performed. The patient only showed sensitization to Artemisia vulgaris, Taraxacum officinalis and Salix alba. Specific IgE levels were evaluated by FEIA-CAP giving a seric level of CAP class 3 to Artemisia vulgaris and class 2 to Taraxacum officinalis and Salix alba. Samples of the pollen compound were shown in the microscopical analysis to be 93% pollens and 6% fungi. In the qualitative study Taraxacum officinalis (15%), Artemisia vulgaris (5%) and Salix alba (15%) were the main elements identified. In summary, this case study describes a food-induced systemic reaction due to a pollen compound in an atopic patient with a history of allergic rhinitis. Pollinic patients must be informed on the risks that the consumption of these compounds might cause.

  14. Sugar Ester Compounds for Arthropod Control

    USDA-ARS?s Scientific Manuscript database

    Sugar esters, also known as acyl sugars or polyol esters, are a class of compounds that are internationally recognized as food additives. They are commonly used in bakery goods, drugs, cosmetics, food packaging plastics, and in other applications because of their surfactant and emulsifying properti...

  15. Life strategies of a ubiquitous and abundant subsurface archaeal group Bathyarchaeota

    NASA Astrophysics Data System (ADS)

    He, Y.; Li, M.; Perumal, V.; Feng, X.; Sievert, S. M.; Wang, F.

    2015-12-01

    Archaea belonging to the Miscellaneous Crenarchaeota Group (MCG, "Candidatus Bathyarchaeota") are widespread and abundant in the deep biosphere, yet their life strategies and ecological roles remain elusive. Metagenomic sequencing of a sample enriched in Bathyarchaeota (up to 74%) that originated from Guaymas Basin deep-sea vent sediments revealed 6 partial to nearly completed Bathyarchaeota genomic bins. ranging ~900kb-3.3Mb. The Bathyarchaeota bin size ranged from approximately 0.9 to 3.3 Mb, with coverage ranging from approximately 10× to 28×. The phylogeny based on 110 concatenated conserved archaeal single copy genes confirmed the placement of Bathyarchaeota into a novel archaeal phylum. Genes encoding for enzymes involved in the degradation of organic polymers such as protein, cellulose, chitin, and aromatic compounds, were identified. In addition, genes encoding glycolysis/gluconeogenesis, beta-oxidation pathways and the tricarboxylic acid cycle (except citrate synthase) were present in all genomic bins highlighting the heterotrophic life style of Bathyarchaeota. The presence of a wide variety of transporters of organic compounds further supports the versatile heterotrophic metabolism of Bathyarchaeota. This study highlights the life strategies of a ubiquitous and abundant subsurface archaeal group that thrives under energy-limited conditions, and expands the metabolic potentials of Archaea that play important roles in carbon cycling in marine sediments.

  16. Conditions affecting the formation of chlorinated carbon compounds during carbochlorination

    NASA Astrophysics Data System (ADS)

    Landsberg, A.; Wilson, R. D.; Burns, W.

    1988-06-01

    The Bureau of Mines, United States Department of the Interior, has conducted an extensive study of the relationship between various metal oxide carbochlorination reactions and carbon compound byproducts. Experiments in which oxides of titanium, zirconium, and aluminum with graphite, charcoal, metallurgical coke, and pctroleum coke were chlorinated at 600° to 1000 °C produced 136 identified and quantified carbon byproduct compounds. The 20 most abundant of these compounds were correlated with reactants and reaction conditions. Experimental results support a proposed carbochlorination reaction with an initial chlorine-carbon step followed by a reaction between the resulting chlorine-carbon products and the metal oxide.

  17. Can we estimate molluscan abundance and biomass on the continental shelf?

    NASA Astrophysics Data System (ADS)

    Powell, Eric N.; Mann, Roger; Ashton-Alcox, Kathryn A.; Kuykendall, Kelsey M.; Chase Long, M.

    2017-11-01

    survey time series on the average will return an estimate of the stock that underestimates true stock abundance. If sampling intensity is increased, the frequency of biased indices balances between high and low values. Incrementing sample number from this point steadily reduces the likelihood of a biased survey; however, the number of samples necessary to drive the probability of survey availability events to a preferred level of infrequency may be daunting. Moreover, certain size classes will be disproportionately susceptible to such events and the impact on size frequency will be species specific, depending on the relative dispersion of the size classes.

  18. Biodiversity of man-made open habitats in an underused country: a class of multispecies abundance models for count data

    USGS Publications Warehouse

    Yamaura, Yuichi; Royle, J. Andrew; Shimada, Naoaki; Asanuma, Seigo; Sato, Tamotsu; Taki, Hisatomo; Makino, Shun'ichi

    2012-01-01

    Since the 1960s, Japan has become highly dependent on foreign countries for natural resources, and the amount of managed lands (e.g. coppice, grassland, and agricultural field) has declined. Due to infrequent natural and human disturbance, early-successional species are now declining in Japan. Here we surveyed bees, birds, and plants in four human-disturbed open habitats (pasture, meadow, young planted forest, and abandoned clear-cut) and two forest habitats (mature planted forest and natural old-growth). We extended a recently developed multispecies abundance model to accommodate count data, and used the resulting models to estimate species-, functional group-, and community-level state variables (abundance and species richness) at each site, and compared them among the six habitats. Estimated individual-level detection probability was quite low for bee species (mean across species = 0.003; 0.16 for birds). Thirty-two (95% credible interval: 13-64) and one (0-4) bee and bird species, respectively, were suggested to be undetected by the field survey. Although habitats in which community-level abundance and species richness was highest differed among taxa, species richness and abundance of early-successional species were similar in the four disturbed open habitats across taxa except for plants in the pasture habitat which was a good habitat only for several exotic species. Our results suggest that human disturbance, especially the revival of plantation forestry, may contribute to the restoration of early-successional species in Japan

  19. 49 CFR 173.221 - Polymeric beads, expandable and Plastic molding compound.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 2 2011-10-01 2011-10-01 false Polymeric beads, expandable and Plastic molding... Than Class 1 and Class 7 § 173.221 Polymeric beads, expandable and Plastic molding compound. (a) Non-bulk shipments of Polymeric beads (or granules), expandable, evolving flammable vapor and Plastic...

  20. 49 CFR 173.221 - Polymeric beads, expandable and Plastic molding compound.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false Polymeric beads, expandable and Plastic molding... Than Class 1 and Class 7 § 173.221 Polymeric beads, expandable and Plastic molding compound. (a) Non-bulk shipments of Polymeric beads (or granules), expandable, evolving flammable vapor and Plastic...

  1. 49 CFR 173.221 - Polymeric beads, expandable and Plastic molding compound.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 2 2012-10-01 2012-10-01 false Polymeric beads, expandable and Plastic molding... Than Class 1 and Class 7 § 173.221 Polymeric beads, expandable and Plastic molding compound. (a) Non-bulk shipments of Polymeric beads (or granules), expandable, evolving flammable vapor and Plastic...

  2. 49 CFR 173.221 - Polymeric beads, expandable and Plastic molding compound.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 2 2014-10-01 2014-10-01 false Polymeric beads, expandable and Plastic molding... Than Class 1 and Class 7 § 173.221 Polymeric beads, expandable and Plastic molding compound. (a) Non-bulk shipments of Polymeric beads (or granules), expandable evolving flammable vapor and Plastic...

  3. 49 CFR 173.221 - Polymeric beads, expandable and Plastic molding compound.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 2 2013-10-01 2013-10-01 false Polymeric beads, expandable and Plastic molding... Than Class 1 and Class 7 § 173.221 Polymeric beads, expandable and Plastic molding compound. (a) Non-bulk shipments of Polymeric beads (or granules), expandable evolving flammable vapor and Plastic...

  4. The Compound Atwood Machine Problem

    ERIC Educational Resources Information Center

    Coelho, R. Lopes

    2017-01-01

    The present paper accounts for progress in physics teaching in the sense that a problem, which has been closed to students for being too difficult, is gained for the high school curriculum. This problem is the compound Atwood machine with three bodies. Its introduction into high school classes is based on a recent study on the weighing of an…

  5. Ambient levels of carbonyl compounds and their sources in Guangzhou, China

    NASA Astrophysics Data System (ADS)

    Feng, Yanli; Wen, Sheng; Chen, Yingjun; Wang, Xinming; Lü, Huixiong; Bi, Xinhui; Sheng, Guoying; Fu, Jiamo

    Ambient levels of carbonyl compounds and their possible sources, vehicular exhaust and cooking exhaust, were studied at seven places in Guangzhou, including five districts (a residential area, an industrial area, a botanical garden, a downtown area and a semi-rural area), a bus station and a restaurant during the period of June-September 2003. Nineteen carbonyl compounds were identified in the ambient air, of which acetone was the most abundant carbonyl, followed by formaldehyde and acetaldehyde. Only little changes were found in carbonyl concentration levels in the five different districts because of their dispersion and mixture in the atmosphere in summer. The lower correlations between the carbonyls' concentrations might result from the mixture of carbonyls derived from different sources, including strong photochemical reactions at noon in summer. Formaldehyde and acetaldehyde were the main carbonyls in bus station, while straight-chain carbonyls were comparatively abundant in cooking exhaust. Besides vehicular exhaust, cooking might be another major source of carbonyl compounds in Guangzhou City, especially for high molecular weight carbonyls.

  6. Seasonal abundance and diversity of culturable heterotrophic bacteria in relation to environmental factors in the Gulf of Antalya, Eastern Mediterranean, Turkey.

    PubMed

    Çardak, Mine; Özgür Özbek, Elif; Kebapçioğlu, Turhan

    2015-04-01

    The abundance of culturable heterotropic bacteria studied on and according to depth levels and seasons in the Gulf of Antalya. Environmental factors were compared regarding culturable heterotrophic bacteria abundance and diversities of bacteria. During the study period (between August 2009 and April 2010, seasonally in the Gulf of Antalya, at six stations and six depth levels (0-20 cm, 10, 25, 50, 100, 200 m). The bacterial isolates were identified in the automated micro identification system VITEK 2 Compact 30 (Biomereux, France). The mean abundance was higher in Sts. D, E and F than Sts. A, B and C, located in the eastern part of the gulf. The mean abundance decreased as the depth level increased. The mean abundance of CHB ranged between 8.15 × 10(6) and 2.54 × 10(8) CFU ml(-1) throughout the year. Abundance of CHB differed according to the variations of biotic and abiotic factors. A total of 27 taxa of bacteria including six bacterial classes were reported in this study as the first records for the Gulf of Antalya. Six bacterial classes: Gamma Proteobacteria (46.81 %), Bacilli (27.66 %), Beta Proteobacteria (12.77 %), Alfa Proteobacteria (6.38 %), Actinobacteria (4.26 %) and Flavobacteria (2.13 %) were determined. The study resulted in increased knowledge on the composition and biochemical response of bacteria isolated from eutrophic and oligotrophic areas. 23 bacteria species belonging to 16 families were reported.

  7. Volatile composition of some Brazilian fruits: umbu-caja (Spondias citherea), camu-camu (Myrciaria dubia), Araça-boi (Eugenia stipitata), and Cupuaçu (Theobroma grandiflorum).

    PubMed

    Franco, M R; Shibamoto, T

    2000-04-01

    Twenty-one volatile compounds were identified for the first time by GC-MS in umbu-caja and in camu-camu, plus 30 volatile compounds were identified in araça-boi samples. Terpenic compounds predominated among the volatile compounds in these fruit samples, with the major compounds being identified as cis-beta-ocimene and caryophyllene in the northeastern fruit; alpha-pinene and d-limonene were the most abundant volatile compounds in the headspace of the Amazonian fruit camu-camu. Sesquiterpenes were the most abundant compounds in the araça-boi sample, with germacrene D presenting a higher relative percentage. The chemical class of esters predominated in the cupuaçu sample. Ethyl butyrate and hexanoate were the major compounds in the headspace of this Amazonian fruit.

  8. Pressor mechanism evaluation for phytochemical compounds using in silico compound-protein interaction prediction.

    PubMed

    He, Min; Cao, Dong-Sheng; Liang, Yi-Zeng; Li, Ya-Ping; Liu, Ping-Le; Xu, Qing-Song; Huang, Ren-Bin

    2013-10-01

    In this study, a method was applied to evaluate pressor mechanisms through compound-protein interactions. Our method assumed that the compounds with different pressor mechanisms should bind to different target proteins, and thereby these mechanisms could be differentiated using compound-protein interactions. Twenty-six phytochemical components and 46 tested target proteins related to blood pressure (BP) elevation were collected. Then, in silico compound-protein interactions prediction probabilities were calculated using a random forest model, which have been implemented in a web server, and the credibility was judged using related literature and other methods. Further, a heat map was constructed, it clearly showed different prediction probabilities accompanied with hierarchical clustering analysis results. Followed by a compound-protein interaction network was depicted according to the results, we can see the connectivity layout of phytochemical components with different target proteins within the BP elevation network, which guided the hypothesis generation of poly-pharmacology. Lastly, principal components analysis (PCA) was carried out upon the prediction probabilities, and pressor targets could be divided into three large classes: neurotransmitter receptors, hormones receptors and monoamine oxidases. In addition, steroid glycosides seem to be close to the region of hormone receptors, and a weak difference existed between them. This work explored the possibility for pharmacological or toxicological mechanism classification using compound-protein interactions. Such approaches could also be used to deduce pharmacological or toxicological mechanisms for uncharacterized compounds. Copyright © 2013 Elsevier Inc. All rights reserved.

  9. Organic Compounds in Carbonaceous Meteorites

    NASA Technical Reports Server (NTRS)

    Cooper, Grorge

    2001-01-01

    Carbonaceous meteorites are relatively enriched in soluble organic compounds. To date, these compounds provide the only record available to study a range of organic chemical processes in the early Solar System chemistry. The Murchison meteorite is the best-characterized carbonaceous meteorite with respect to organic chemistry. The study of its organic compounds has related principally to aqueous meteorite parent body chemistry and compounds of potential importance for the origin of life. Among the classes of organic compounds found in Murchison are amino acids, amides, carboxylic acids, hydroxy acids, sulfonic acids, phosphonic acids, purines and pyrimidines (Table 1). Compounds such as these were quite likely delivered to the early Earth in asteroids and comets. Until now, polyhydroxylated compounds (polyols), including sugars (polyhydroxy aldehydes or ketones), sugar alcohols, sugar acids, etc., had not been identified in Murchison. Ribose and deoxyribose, five-carbon sugars, are central to the role of contemporary nucleic acids, DNA and RNA. Glycerol, a three-carbon sugar alcohol, is a constituent of all known biological membranes. Due to the relative lability of sugars, some researchers have questioned the lifetime of sugars under the presumed conditions on the early Earth and postulated other (more stable) compounds as constituents of the first replicating molecules. The identification of potential sources and/or formation mechanisms of pre-biotic polyols would add to the understanding of what organic compounds were available, and for what length of time, on the ancient Earth.

  10. Temporal and spatial host abundance and prevalence of Andes hantavirus in southern Argentina.

    PubMed

    Polop, Francisco J; Provensal, María C; Pini, Noemí; Levis, Silvana C; Priotto, José W; Enría, Delia; Calderón, Gladys E; Costa, Federico; Polop, Jaime J

    2010-06-01

    Andes virus (AND) is a hantavirus hosted by the sigmodontine rodent Oligoryzomys longicaudatus in southern Argentina, where it is responsible for most cases of hantavirus pulmonary syndrome (HPS). Our study provides data about the spatial variation in abundance of the rodent host of AND hantavirus. We report results of a longitudinal study performed in a locality of the Andean region of Chubut Province. From November 2003 (spring) to July 2006 (winter), O. longicaudatus was the most common species captured (63%) and it showed significant differences in abundance among habitats and seasons. Most antibody-positive rodents were O. longicaudatus (9.2%), followed by A. longipilis (3.6%) and A. olivaceus (1.5%). The highest number of antibody-positive animals was observed for males that belonged to the heaviest mass classes. Antibody-positive O. longicaudatus were more abundant in brush habitats. We found low richness of rodents and abundance of O. longicaudatus in areas affected by anthropogenic activity. The infection seems to be regionally persistent, but the risk to humans in a landscape would be localized. To develop accurate models for predicting HPS outbreaks, further research is needed to characterize rodent movement patterns across the landscape.

  11. Identification of environmental covariates of West Nile virus vector mosquito population abundance.

    PubMed

    Trawinski, Patricia R; Mackay, D Scott

    2010-06-01

    The rapid spread of West Nile virus (WNv) in North America is a major public health concern. Culex pipiens-restuans is the principle mosquito vector of WNv in the northeastern United States while Aedes vexans is an important bridge vector of the virus in this region. Vector mosquito abundance is directly dependent on physical environmental factors that provide mosquito habitats. The objective of this research is to determine landscape elements that explain the population abundance and distribution of WNv vector mosquitoes using stepwise linear regression. We developed a novel approach for examining a large set of landscape variables based on a land use and land cover classification by selecting variables in stages to minimize multicollinearity. We also investigated the distance at which landscape elements influence abundance of vector populations using buffer distances of 200, 400, and 1000 m. Results show landscape effects have a significant impact on Cx. pipiens-estuans population distribution while the effects of landscape features are less important for prediction of Ae. vexans population distributions. Cx. pipiens-restuans population abundance is positively correlated with human population density, housing unit density, and urban land use and land cover classes and negatively correlated with age of dwellings and amount of forested land.

  12. Widespread dissemination of class 1 integron components in soils and related ecosystems as revealed by cultivation-independent analysis.

    PubMed

    Jechalke, Sven; Schreiter, Susanne; Wolters, Birgit; Dealtry, Simone; Heuer, Holger; Smalla, Kornelia

    2013-01-01

    Class 1 integrons contribute to the emerging problem of antibiotic resistance in human medicine by acquisition, exchange, and expression of resistance genes embedded within gene cassettes. Besides the clinical setting they were recently reported from environmental habitats and often located on plasmids and transposons, facilitating their transfer and spread within bacterial communities. In this study we aimed to provide insights into the occurrence of genes typically associated with the class 1 integrons in previously not studied environments with or without human impact and their association with IncP-1 plasmids. Total community DNA was extracted from manure-treated and untreated soils, lettuce and potato rhizosphere, digestates, and an on-farm biopurification system and screened by PCR with subsequent Southern blot hybridization for the presence of the class 1 integrase gene intI1 as well as qacE and qacEΔ 1 resistance genes. The results revealed a widespread dissemination of class 1 integrons in the environments analyzed, mainly related to the presence of qacEΔ 1 genes. All 28 IncP-1ε plasmids carrying class 1 integrons, which were captured exogenously in a recent study from piggery manure and soils treated with manure, carried qacEΔ 1 genes. Based on the strong hybridization signals in the rhizosphere of lettuce compared to the potato rhizosphere, the abundances of intI1, qacE/qacEΔ 1, and sul1 genes were quantified relative to the 16S rRNA gene abundance by real-time PCR in the rhizosphere of lettuce planted in three different soils and in the corresponding bulk soil. A significant enrichment of intI1 and qacE/qacEΔ 1 genes was confirmed in the rhizosphere of lettuce compared to bulk soil. Additionally, the relative abundance of korB genes specific for IncP-1 plasmids was enriched in the rhizosphere and correlated to the intI1 gene abundance indicating that IncP-1 plasmids might have contributed to the spread of class 1 integrons in the analyzed soils.

  13. Space-based measurements of elemental abundances and their relation to solar abundances

    NASA Technical Reports Server (NTRS)

    Coplan, M. A.; Ogilvie, K. W.; Bochsler, P.; Geiss, J.

    1990-01-01

    The Ion Composition Instrument (ICI) aboard the ISEE-3/ICE spacecraft was in the solar wind continuously from August 1978 to December 1982. The results made it possible to establish long-term average solar wind abundance values for helium, oxygen, neon, silicon, and iron. The Charge-Energy-Mass instrument aboard the CCE spacecraft of the AMPTE mission has measured the abundance of these elements in the magnetosheath and has also added carbon, nitrogen, magnesium, and sulfur to the list. There is strong evidence that these magnetosheath abundances are representative of the solar wind. Other sources of solar wind abundances are Solar Energetic Particle experiments and Apollo lunar foils. When comparing the abundances from all of these sources with photospheric abundances, it is clear that helium is depleted in the solar wind while silicon and iron are enhanced. Solar wind abundances for carbon, nitrogen, oxygen, and neon correlate well with the photospheric values. The incorporation of minor ions into the solar wind appears to depend upon both the ionization times for the elements and the Coulomb drag exerted by the outflowing proton flux.

  14. Catalysts Based on Earth-Abundant Metals for Visible Light-Driven Water Oxidation Reaction.

    PubMed

    Lin, Junqi; Han, Qing; Ding, Yong

    2018-06-04

    Exploration of water oxidation catalyst (WOC) with excellent performance is the key for the overall water splitting reaction, which is a feasible strategy to convert solar energy to chemical energy. Although some compounds composed of noble metals, mainly Ru and Ir, have been reported to catalyze water oxidation with high efficiency, catalysts based on low-cost and earth-abundant transition metals are essential for realizing economical and large-scale light-driven water splitting. Various WOCs containing earth-abundant metals (mainly Mn, Fe, Co, Ni, Cu) have been utilized for visible light-driven water oxidation in recent years. In this Personal Account, we summarize our recent developments in WOCs based on earth-abundant transition metals including polyoxometalates (POMs), metal oxides or bimetal oxides, and metal complexes containing multidentate ligand scaffolds for visible light-driven water oxidation reaction. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Climate change likely to reduce orchid bee abundance even in climatic suitable sites.

    PubMed

    Faleiro, Frederico Valtuille; Nemésio, André; Loyola, Rafael

    2018-06-01

    Studies have tested whether model predictions based on species' occurrence can predict the spatial pattern of population abundance. The relationship between predicted environmental suitability and population abundance varies in shape, strength and predictive power. However, little attention has been paid to the congruence in predictions of different models fed with occurrence or abundance data, in particular when comparing metrics of climate change impact. Here, we used the ecological niche modeling fit with presence-absence and abundance data of orchid bees to predict the effect of climate change on species and assembly level distribution patterns. In addition, we assessed whether predictions of presence-absence models can be used as a proxy to abundance patterns. We obtained georeferenced abundance data of orchid bees (Hymenoptera: Apidae: Euglossina) in the Brazilian Atlantic Forest. Sampling method consisted in attracting male orchid bees to baits of at least five different aromatic compounds and collecting the individuals with entomological nets or bait traps. We limited abundance data to those obtained by similar standard sampling protocol to avoid bias in abundance estimation. We used boosted regression trees to model ecological niches and project them into six climate models and two Representative Concentration Pathways. We found that models based on species occurrences worked as a proxy for changes in population abundance when the output of the models were continuous; results were very different when outputs were discretized to binary predictions. We found an overall trend of diminishing abundance in the future, but a clear retention of climatically suitable sites too. Furthermore, geographic distance to gained climatic suitable areas can be very short, although it embraces great variation. Changes in species richness and turnover would be concentrated in western and southern Atlantic Forest. Our findings offer support to the ongoing debate of suitability-abundance

  16. Seasonal fate and gas/particle partitioning of semi-volatile organic compounds in indoor and outdoor air

    NASA Astrophysics Data System (ADS)

    Moreau-Guigon, Elodie; Alliot, Fabrice; Gaspéri, Johnny; Blanchard, Martine; Teil, Marie-Jeanne; Mandin, Corinne; Chevreuil, Marc

    2016-12-01

    Fifty-eight semi-volatile organic compounds (SVOCs) were investigated simultaneously in three indoor (apartment, nursery and office building) and one outdoor environment in the centre of Paris (France). All of these compounds except tetrabromobisphenol A were quantified in the gaseous and particulate phases in all three environments, and at a frequency of 100% for the predominant compounds of each SVOC class. Phthalic acid esters (PAEs) were the most abundant group (di-iso-butyl phthalate: 29-661 ng m-3, diethyl phthalate: 15-542 ng m-3), followed by 4-nonylphenol (1.4-81 ng m-3), parabens (methylparaben: 0.03-2.5 ng m-3), hexachlorobenzene (HCB) (0.002-0.26 ng m-3) and pentachlorobenzene (PeCB) (0.001-0.23 ng m-3). Polycyclic aromatic hydrocarbons (as ∑8PAHs) ranged from 0.17 to 5.40 ng m-3, polychlorinated biphenyls (as ∑7PCBi) from 0.06 to 4.70 ng.m3 and polybromodiphenyl ethers (as ∑8PBDEs) from 0.002 to 0.40 ng m-3. For most pollutants, significantly higher concentrations were observed in the nursery compared to the apartment and office. Overall, the indoor air concentrations were up to ten times higher than outdoor air concentrations. Seasonal variations were observed for PAEs, PCBs and PAHs. SVOCs were predominantly identified in the gaseous phase (>90%), except for some high-molecular-weight PAEs, PAHs and PCBs.

  17. Convergence and divergence in a long-term old-field succession: the importance of spatial scale and species abundance.

    PubMed

    Li, Shao-Peng; Cadotte, Marc W; Meiners, Scott J; Pu, Zhichao; Fukami, Tadashi; Jiang, Lin

    2016-09-01

    Whether plant communities in a given region converge towards a particular stable state during succession has long been debated, but rarely tested at a sufficiently long time scale. By analysing a 50-year continuous study of post-agricultural secondary succession in New Jersey, USA, we show that the extent of community convergence varies with the spatial scale and species abundance classes. At the larger field scale, abundance-based dissimilarities among communities decreased over time, indicating convergence of dominant species, whereas incidence-based dissimilarities showed little temporal tend, indicating no sign of convergence. In contrast, plots within each field diverged in both species composition and abundance. Abundance-based successional rates decreased over time, whereas rare species and herbaceous plants showed little change in temporal turnover rates. Initial abandonment conditions only influenced community structure early in succession. Overall, our findings provide strong evidence for scale and abundance dependence of stochastic and deterministic processes over old-field succession. © 2016 John Wiley & Sons Ltd/CNRS.

  18. Ecosystem recharge by volcanic dust drives broad-scale variation in bird abundance.

    PubMed

    Gunnarsson, Tómas Grétar; Arnalds, Ólafur; Appleton, Graham; Méndez, Verónica; Gill, Jennifer A

    2015-06-01

    Across the globe, deserts and volcanic eruptions produce large volumes of atmospheric dust, and the amount of dust is predicted to increase with global warming. The effects of long-distance airborne dust inputs on ecosystem productivity are potentially far-reaching but have primarily been measured in soil and plants. Airborne dust could also drive distribution and abundance at higher trophic levels, but opportunities to explore these relationships are rare. Here we use Iceland's steep dust deposition gradients to assess the influence of dust on the distribution and abundance of internationally important ground-nesting bird populations. Surveys of the abundance of breeding birds at 729 locations throughout lowland Iceland were used to explore the influence of dust deposition on bird abundance in agricultural, dry, and wet habitats. Dust deposition had a strong positive effect on bird abundance across Iceland in dry and wet habitats, but not in agricultural land where nutrient levels are managed. The abundance of breeding waders, the dominant group of terrestrial birds in Iceland, tripled on average between the lowest and highest dust deposition classes in both wet and dry habitats. The deposition and redistribution of volcanic materials can have powerful impacts in terrestrial ecosystems and can be a major driver of the abundance of higher trophic-level organisms at broad spatial scales. The impacts of volcanic ash deposition during eruptions and subsequent redistribution of unstable volcanic materials are strong enough to override effects of underlying variation in organic matter and clay content on ecosystem fertility. Global rates of atmospheric dust deposition are likely to increase with increasing desertification and glacier retreat, and this study demonstrates that the effects on ecosystems are likely to be far-reaching, both in terms of spatial scales and ecosystem components.

  19. Evaluation of phenolic compounds in virgin olive oil by direct injection in high-performance liquid chromatography with fluorometric detection.

    PubMed

    Selvaggini, Roberto; Servili, Maurizio; Urbani, Stefania; Esposto, Sonia; Taticchi, Agnese; Montedoro, GianFrancesco

    2006-04-19

    Hydrophilic phenols are the most abundant natural antioxidants of virgin olive oil (VOO), in which tocopherols and carotenes are also present. The prevalent classes of hydrophilic phenols found in VOO are phenyl alcohols, phenolic acids, secoiridoids such as the dialdehydic form of decarboxymethyl elenolic acid linked to (3,4-dihydroxyphenyl)ethanol or (p-hydroxypheny1)ethanol (3,4-DHPEA-EDA or p-HPEA-EDA) and an isomer of the oleuropein aglycon (3,4-DHPEA-EA), lignans such as (+)-1-acetoxypinoresinol and (+)-pinoresinol, and flavonoids. A new method for the analysis of VOO hydrophilic phenols by direct injection in high-performance liquid chromatography (HPLC) with the use of a fluorescence detector (FLD) has been proposed and compared with the traditional liquid-liquid extraction technique followed by the HPLC analysis utilizing a diode array detector (DAD) and a FLD. Results show that the most important classes of phenolic compounds occurring in VOO can be evaluated using HPLC direct injection. The efficiency of the new method, as compared to the liquid-liquid extraction, was higher to quantify phenyl alcohols, lignans, and 3,4-DHPEA-EA and lower for the evaluation of 3,4-DHPEA-EDA and p-HPEA-EDA.

  20. The compound Atwood machine problem

    NASA Astrophysics Data System (ADS)

    Lopes Coelho, R.

    2017-05-01

    The present paper accounts for progress in physics teaching in the sense that a problem, which has been closed to students for being too difficult, is gained for the high school curriculum. This problem is the compound Atwood machine with three bodies. Its introduction into high school classes is based on a recent study on the weighing of an Atwood machine.

  1. ATMOSPHERIC COMPOSITION OF WEAK G BAND STARS: CNO AND Li ABUNDANCES

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Adamczak, Jens; Lambert, David L., E-mail: adamczak@astro.as.utexas.edu

    We determined the chemical composition of a large sample of weak G band stars-a rare class of G and K giants of intermediate mass with unusual abundances of C, N, and Li. We have observed 24 weak G band stars with the 2.7 m Harlan J. Smith Telescope at the McDonald Observatory and derived spectroscopic abundances for C, N, O, and Li, as well as for selected elements from Na-Eu. The results show that the atmospheres of weak G band stars are highly contaminated with CN-cycle products. The C underabundance is about a factor of 20 larger than for normalmore » giants and the {sup 12}C/{sup 13}C ratio approaches the CN-cycle equilibrium value. In addition to the striking CN-cycle signature the strong N overabundance may indicate the presence of partially ON-cycled material in the atmospheres of the weak G band stars. The exact mechanism responsible for the transport of the elements to the surface has yet to be identified but could be induced by rapid rotation of the main sequence progenitors of the stars. The unusually high Li abundances in some of the stars are an indicator for Li production by the Cameron-Fowler mechanism. A quantitative prediction of a weak G band star's Li abundance is complicated by the strong temperature sensitivity of the mechanism and its participants. In addition to the unusual abundances of CN-cycle elements and Li, we find an overabundance of Na that is in accordance with the NeNa chain running in parallel with the CN cycle. Apart from these peculiarities, the element abundances in a weak G band star's atmosphere are consistent with those of normal giants.« less

  2. Atmospheric Composition of Weak G Band Stars: CNO and Li Abundances

    NASA Astrophysics Data System (ADS)

    Adamczak, Jens; Lambert, David L.

    2013-03-01

    We determined the chemical composition of a large sample of weak G band stars—a rare class of G and K giants of intermediate mass with unusual abundances of C, N, and Li. We have observed 24 weak G band stars with the 2.7 m Harlan J. Smith Telescope at the McDonald Observatory and derived spectroscopic abundances for C, N, O, and Li, as well as for selected elements from Na-Eu. The results show that the atmospheres of weak G band stars are highly contaminated with CN-cycle products. The C underabundance is about a factor of 20 larger than for normal giants and the 12C/13C ratio approaches the CN-cycle equilibrium value. In addition to the striking CN-cycle signature the strong N overabundance may indicate the presence of partially ON-cycled material in the atmospheres of the weak G band stars. The exact mechanism responsible for the transport of the elements to the surface has yet to be identified but could be induced by rapid rotation of the main sequence progenitors of the stars. The unusually high Li abundances in some of the stars are an indicator for Li production by the Cameron-Fowler mechanism. A quantitative prediction of a weak G band star's Li abundance is complicated by the strong temperature sensitivity of the mechanism and its participants. In addition to the unusual abundances of CN-cycle elements and Li, we find an overabundance of Na that is in accordance with the NeNa chain running in parallel with the CN cycle. Apart from these peculiarities, the element abundances in a weak G band star's atmosphere are consistent with those of normal giants.

  3. An abundance of rare functional variants in 202 drug target genes sequenced in 14,002 people

    PubMed Central

    Nelson, Matthew R.; Wegmann, Daniel; Ehm, Margaret G.; Kessner, Darren; St. Jean, Pamela; Verzilli, Claudio; Shen, Judong; Tang, Zhengzheng; Bacanu, Silviu-Alin; Fraser, Dana; Warren, Liling; Aponte, Jennifer; Zawistowski, Matthew; Liu, Xiao; Zhang, Hao; Zhang, Yong; Li, Jun; Li, Yun; Li, Li; Woollard, Peter; Topp, Simon; Hall, Matthew D.; Nangle, Keith; Wang, Jun; Abecasis, Gonçalo; Cardon, Lon R.; Zöllner, Sebastian; Whittaker, John C.; Chissoe, Stephanie L.; Novembre, John; Mooser, Vincent

    2015-01-01

    Rare genetic variants contribute to complex disease risk; however, the abundance of rare variants in human populations remains unknown. We explored this spectrum of variation by sequencing 202 genes encoding drug targets in 14,002 individuals. We find rare variants are abundant (one every 17 bases) and geographically localized, such that even with large sample sizes, rare variant catalogs will be largely incomplete. We used the observed patterns of variation to estimate population growth parameters, the proportion of variants in a given frequency class that are putatively deleterious, and mutation rates for each gene. Overall we conclude that, due to rapid population growth and weak purifying selection, human populations harbor an abundance of rare variants, many of which are deleterious and have relevance to understanding disease risk. PMID:22604722

  4. Spirit Discovers New Class of Igneous Rocks

    NASA Technical Reports Server (NTRS)

    2006-01-01

    During the past two-and-a-half years of traversing the central part of Gusev Crater, NASA's Mars Exploration Rover Spirit has analyzed the brushed and ground-into surfaces of multiple rocks using the alpha particle X-ray spectrometer, which measures the abundance of major chemical elements. In the process, Spirit has documented the first example of a particular kind of volcanic region on Mars known as an alkaline igneous province. The word alkaline refers to the abundance of sodium and potassium, two major rock-forming elements from the alkali metals on the left-hand side of the periodic table.

    All of the relatively unaltered rocks -- those least changed by wind, water, freezing, or other weathering agents -- examined by Spirit have been igneous, meaning that they crystallized from molten magmas. One way geologists classify igneous rocks is by looking at the amount of potassium and sodium relative to the amount of silica, the most abundant rock-forming mineral on Earth. In the case of volcanic rocks, the amount of silica present gives scientists clues to the kind of volcanism that occurred, while the amounts of potassium and sodium provide clues about the history of the rock. Rocks with more silica tend to erupt explosively. Higher contents of potassium and sodium, as seen in alkaline rocks like those at Gusev, may indicate partial melting of magma at higher pressure, that is, deeper in the Martian mantle. The abundance of potassium and sodium determines the kinds of minerals that make up igneous rocks. If igneous rocks have enough silica, potassium and sodium always bond with the silica to form certain minerals.

    The Gusev rocks define a new chemical category not previously seen on Mars, as shown in this diagram plotting alkalis versus silica, compiled by University of Tennessee geologist Harry McSween. The abbreviations 'Na2O' and 'K2O' refer to oxides of sodium and potassium. The abbreviation 'SiO2' refers to silica. The abbreviation 'wt

  5. Long-term antibiotic exposure in soil is associated with changes in microbial community structure and prevalence of class 1 integrons.

    PubMed

    Cleary, David W; Bishop, Alistair H; Zhang, Lihong; Topp, Edward; Wellington, Elizabeth M H; Gaze, William H

    2016-10-01

    Antimicrobial resistance is one of the most significant challenges facing the global medical community and can be attributed to the use and misuse of antibiotics. This includes use as growth promoters or for prophylaxis and treatment of bacterial infection in intensively farmed livestock from where antibiotics can enter the environment as residues in manure. We characterised the impact of the long-term application of a mixture of veterinary antibiotics alone (tylosin, sulfamethazine and chlortetracycline) on class 1 integron prevalence and soil microbiota composition. Class 1 integron prevalence increased significantly (P < 0.005) from 0.006% in control samples to 0.064% in the treated plots. Soil microbiota was analysed using 16S rRNA gene sequencing and revealed significant alterations in composition. Of the 19 significantly different (P < 0.05) OTUs identified, 16 were of the Class Proteobacteria and these decreased in abundance relative to the control plots. Only one OTU, of the Class Cyanobacteria, was shown to increase in abundance significantly; a curiosity given the established sensitivity of this class to antibiotics. We hypothesise that the overrepresentation of Proteobacteria as OTUs that decreased significantly in relative abundance, coupled with the observations of an increase in integron prevalence, may represent a strong selective pressure on these taxa. © FEMS 2016. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  6. Anticancer Properties of Distinct Antimalarial Drug Classes

    PubMed Central

    Hooft van Huijsduijnen, Rob; Guy, R. Kiplin; Chibale, Kelly; Haynes, Richard K.; Peitz, Ingmar; Kelter, Gerhard; Phillips, Margaret A.; Vennerstrom, Jonathan L.; Yuthavong, Yongyuth; Wells, Timothy N. C.

    2013-01-01

    We have tested five distinct classes of established and experimental antimalarial drugs for their anticancer potential, using a panel of 91 human cancer lines. Three classes of drugs: artemisinins, synthetic peroxides and DHFR (dihydrofolate reductase) inhibitors effected potent inhibition of proliferation with IC50s in the nM- low µM range, whereas a DHODH (dihydroorotate dehydrogenase) and a putative kinase inhibitor displayed no activity. Furthermore, significant synergies were identified with erlotinib, imatinib, cisplatin, dasatinib and vincristine. Cluster analysis of the antimalarials based on their differential inhibition of the various cancer lines clearly segregated the synthetic peroxides OZ277 and OZ439 from the artemisinin cluster that included artesunate, dihydroartemisinin and artemisone, and from the DHFR inhibitors pyrimethamine and P218 (a parasite DHFR inhibitor), emphasizing their shared mode of action. In order to further understand the basis of the selectivity of these compounds against different cancers, microarray-based gene expression data for 85 of the used cell lines were generated. For each compound, distinct sets of genes were identified whose expression significantly correlated with compound sensitivity. Several of the antimalarials tested in this study have well-established and excellent safety profiles with a plasma exposure, when conservatively used in malaria, that is well above the IC50s that we identified in this study. Given their unique mode of action and potential for unique synergies with established anticancer drugs, our results provide a strong basis to further explore the potential application of these compounds in cancer in pre-clinical or and clinical settings. PMID:24391728

  7. Chemical Space Mapping and Structure-Activity Analysis of the ChEMBL Antiviral Compound Set.

    PubMed

    Klimenko, Kyrylo; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

    2016-08-22

    Curation, standardization and data fusion of the antiviral information present in the ChEMBL public database led to the definition of a robust data set, providing an association of antiviral compounds to seven broadly defined antiviral activity classes. Generative topographic mapping (GTM) subjected to evolutionary tuning was then used to produce maps of the antiviral chemical space, providing an optimal separation of compound families associated with the different antiviral classes. The ability to pinpoint the specific spots occupied (responsibility patterns) on a map by various classes of antiviral compounds opened the way for a GTM-supported search for privileged structural motifs, typical for each antiviral class. The privileged locations of antiviral classes were analyzed in order to highlight underlying privileged common structural motifs. Unlike in classical medicinal chemistry, where privileged structures are, almost always, predefined scaffolds, privileged structural motif detection based on GTM responsibility patterns has the decisive advantage of being able to automatically capture the nature ("resolution detail"-scaffold, detailed substructure, pharmacophore pattern, etc.) of the relevant structural motifs. Responsibility patterns were found to represent underlying structural motifs of various natures-from very fuzzy (groups of various "interchangeable" similar scaffolds), to the classical scenario in medicinal chemistry (underlying motif actually being the scaffold), to very precisely defined motifs (specifically substituted scaffolds).

  8. Computational and experimental study of the interactions between ionic liquids and volatile organic compounds.

    PubMed

    Gao, Tingting; Andino, Jean M; Alvarez-Idaboy, J Raul

    2010-09-07

    Computational chemistry calculations were performed to investigate the interactions of ionic liquids with different classes of volatile organic compounds (VOCs), including alcohols, aldehydes, ketones, alkanes, alkenes, alkynes and aromatic compounds. At least one VOC was studied to represent each class. Initially, 1-butyl-3-methylimindazolium chloride (abbreviated as C(4)mimCl) was used as the test ionic liquid compound. Calculated interaction lengths between atoms in the ionic liquid and the VOC tested as well as thermodynamic data suggest that C(4)mimCl preferentially interacts with alcohols as compared to other classes of volatile organic compounds. The interactions of methanol with different kinds of ionic liquids, specifically 1-butyl-3-methylimidazolium bromine (C(4)mimBr) and 1-butyl-3-methylimidazolium tetrafluoroborate (C(4)mimBF(4)) were also studied. In comparing C(4)mimCl, C(4)mimBr, and C(4)mimBF(4), the computational results suggest that C(4)mimCl is more likely to interact with methanol. Laboratory experiments were performed to provide further evidence for the interaction between C(4)mimCl and different classes of VOCs. Fourier transform infrared spectroscopy was used to probe the ionic liquid surface before and after exposure to the VOCs that were tested. New spectral features were detected after exposure of C(4)mimCl to various alcohols. The new features are characteristic of the alcohols tested. No new IR features were detected after exposure of the C(4)mimCl to the aldehyde, ketone, alkane, alkene, alkyne or aromatic compounds studied. In addition, after exposing the C(4)mimCl to a multi-component mixture of various classes of compounds (including an alcohol), the only new peaks that were detected were characteristic of the alcohol that was tested. These experimental results demonstrated that C(4)mimCl is selective to alcohols, even in complex mixtures. The findings in this work provide information for future gas-phase alcohol sensor design.

  9. Use of Polyphenolic Compounds in Dermatologic Oncology

    PubMed Central

    Costa, Adilson; Bonner, Michael Yi

    2017-01-01

    Polyphenols are a widely used class of compounds in dermatology. While phenol itself, the most basic member of the phenol family, is chemically synthesized, most polyphenolic compounds are found in plants and form part of their defense mechanism against decomposition. Polyphenolic compounds, which include phenolic acids, flavonoids, stilbenes, and lignans, play an integral role in preventing the attack on plants by bacteria and fungi, as well as serving as cross-links in plant polymers. There is also mounting evidence that polyphenolic compounds play an important role in human health as well. One of the most important benefits, which puts them in the spotlight of current studies, is their antitumor profile. Some of these polyphenolic compounds have already presented promising results in either in vitro or in vivo studies for non-melanoma skin cancer and melanoma. These compounds act on several biomolecular pathways including cell division cycle arrest, autophagy, and apoptosis. Indeed, such natural compounds may be of potential for both preventive and therapeutic fields of cancer. This review evaluates the existing scientific literature in order to provide support for new research opportunities using polyphenolic compounds in oncodermatology. PMID:27164914

  10. Chemosensors for detection of nitroaromatic compounds (explosives)

    NASA Astrophysics Data System (ADS)

    Zyryanov, G. V.; Kopchuk, D. S.; Kovalev, I. S.; Nosova, E. V.; Rusinov, V. L.; Chupakhin, O. N.

    2014-09-01

    The key types of low-molecular-mass chemosensors for the detection of nitroaromatic compounds representing energetic substances (explosives) are analyzed. The coordination and chemical properties of these chemosensors and structural features of their complexes with nitroaromatic compounds are considered. The causes and methods for attaining high selectivity of recognition are demonstrated. The primary attention is paid to the use of low-molecular-mass chemosensors for visual detection of explosives of this class by colorimetric and photometric methods. Examples of using photo- and chemiluminescence for this purpose are described. A separate section is devoted to electrochemical methods of detection of nitroaromatic compounds. Data published from 2000 to 2014 are mainly covered. The bibliography includes 245 references.

  11. Hit-to-Lead Optimization of a Novel Class of Potent, Broad-Spectrum Trypanosomacides.

    PubMed

    Russell, Stephanie; Rahmani, Raphaël; Jones, Amy J; Newson, Harriet L; Neilde, Kevin; Cotillo, Ignacio; Rahmani Khajouei, Marzieh; Ferrins, Lori; Qureishi, Sana; Nguyen, Nghi; Martinez-Martinez, Maria S; Weaver, Donald F; Kaiser, Marcel; Riley, Jennifer; Thomas, John; De Rycker, Manu; Read, Kevin D; Flematti, Gavin R; Ryan, Eileen; Tanghe, Scott; Rodriguez, Ana; Charman, Susan A; Kessler, Albane; Avery, Vicky M; Baell, Jonathan B; Piggott, Matthew J

    2016-11-10

    The parasitic trypanosomes Trypanosoma brucei and T. cruzi are responsible for significant human suffering in the form of human African trypanosomiasis (HAT) and Chagas disease. Drugs currently available to treat these neglected diseases leave much to be desired. Herein we report optimization of a novel class of N-(2-(2-phenylthiazol-4-yl)ethyl)amides, carbamates, and ureas, which rapidly, selectively, and potently kill both species of trypanosome. The mode of action of these compounds is unknown but does not involve CYP51 inhibition. They do, however, exhibit clear structure-activity relationships, consistent across both trypanosome species. Favorable physicochemical parameters place the best compounds in CNS drug-like chemical space but, as a class, they exhibit poor metabolic stability. One of the best compounds (64a) cleared all signs of T. cruzi infection in mice when CYP metabolism was inhibited, with sterile cure achieved in one mouse. This family of compounds thus shows significant promise for trypanosomiasis drug discovery.

  12. The Abundance and Distribution of Presolar Materials in Cluster IDPS

    NASA Technical Reports Server (NTRS)

    Messenger, Scott; Keller, Lindsay; Nakamura-Messenger, Keiko; Ito, Motoo

    2007-01-01

    Presolar grains and remnants of interstellar organic compounds occur in a wide range of primitive solar system materials, including meteorites, interplanetary dust particles (IDPs), and comet Wild-2 samples. Among the most abundant presolar phases are silicate stardust grains and molecular cloud material. However, these materials have also been susceptible to destruction and alteration during parent body and nebular processing. In addition to their importance as direct samples of remote and ancient astrophysical environments, presolar materials thus provide a measure of how well different primitive bodies have preserved the original solar system starting materials.

  13. Antifungal, Anticancer and Aminopeptidase Inhibitory Potential of a Phenazine Compound Produced by Lactococcus BSN307.

    PubMed

    Varsha, Kontham Kulangara; Nishant, Gopalan; Sneha, Srambikal Mohandas; Shilpa, Ganesan; Devendra, Leena; Priya, Sulochana; Nampoothiri, Kesavan Madhavan

    2016-12-01

    A bioactive compound was purified from the culture medium of a new strain of Lactococcus BSN307 by solvent extraction followed by chromatographic techniques. This bioactive compound was identified to belong to phenazine class of compounds by MS, NMR and FTIR. The phenazine compound showed antifungal activity against Aspergillus niger , Penicillium chrysogenum as well as Fusarium oxysporum by disc diffusion assay in addition to antioxidant potential as demonstrated by DPPH scavenging assay. The compound demonstrated selective cytotoxicity against cancer cell lines HeLa and MCF-7 where IC 50 was achieved with 20 and 24 µg/mL respectively. At the same time no cytotoxicity was occurred in normal H9c2 cells. The bioactive found to be inhibitory to both leucine and proline aminopeptidases and thus revealed its potential as metalloenzyme inhibitor. This study, for the first time reports the production of phenazine class of compounds by lactic acid bacteria.

  14. An abundance of Epsilonproteobacteria revealed in the gut microbiome of the laboratory cultured sea urchin, Lytechinus variegatus

    PubMed Central

    Hakim, Joseph A.; Koo, Hyunmin; Dennis, Lacey N.; Kumar, Ranjit; Ptacek, Travis; Morrow, Casey D.; Lefkowitz, Elliot J.; Powell, Mickie L.; Bej, Asim K.; Watts, Stephen A.

    2015-01-01

    In this study, we have examined the bacterial community composition of the laboratory cultured sea urchin Lytechinus variegatus gut microbiome and its culture environment using NextGen amplicon sequencing of the V4 segment of the 16S rRNA gene, and downstream bioinformatics tools. Overall, the gut and tank water was dominated by Proteobacteria, whereas the feed consisted of a co-occurrence of Proteobacteria and Firmicutes at a high abundance. The gut tissue represented Epsilonproteobacteria as dominant, with order Campylobacterales at the highest relative abundance (>95%). However, the pharynx tissue was dominated by class Alphaproteobacteria. The gut digesta and egested fecal pellets had a high abundance of class Gammaproteobacteria, from which Vibrio was found to be the primary genus, and Epsilonproteobacteria, with genus Arcobacter occurring at a moderate level. At the class level, the tank water was dominated by Gammaproteobacteria, and the feed by Alphaproteobacteria. Multi-Dimensional Scaling analysis showed that the microbial community of the gut tissue clustered together, as did the pharynx tissue to the feed. The gut digesta and egested fecal pellets showed a similarity relationship to the tank water. Further analysis of Campylobacterales at a lower taxonomic level using the oligotyping method revealed 37 unique types across the 10 samples, where Oligotype 1 was primarily represented in the gut tissue. BLAST analysis identified Oligotype 1 to be Arcobacter sp., Sulfuricurvum sp., and Arcobacter bivalviorum at an identity level >90%. This study showed that although distinct microbial communities are evident across multiple components of the sea urchin gut ecosystem, there is a noticeable correlation between the overall microbial communities of the gut with the sea urchin L. variegatus culture environment. PMID:26528245

  15. Nitroaromatic Compounds, from Synthesis to Biodegradation

    PubMed Central

    Ju, Kou-San; Parales, Rebecca E.

    2010-01-01

    Summary: Nitroaromatic compounds are relatively rare in nature and have been introduced into the environment mainly by human activities. This important class of industrial chemicals is widely used in the synthesis of many diverse products, including dyes, polymers, pesticides, and explosives. Unfortunately, their extensive use has led to environmental contamination of soil and groundwater. The nitro group, which provides chemical and functional diversity in these molecules, also contributes to the recalcitrance of these compounds to biodegradation. The electron-withdrawing nature of the nitro group, in concert with the stability of the benzene ring, makes nitroaromatic compounds resistant to oxidative degradation. Recalcitrance is further compounded by their acute toxicity, mutagenicity, and easy reduction into carcinogenic aromatic amines. Nitroaromatic compounds are hazardous to human health and are registered on the U.S. Environmental Protection Agency's list of priority pollutants for environmental remediation. Although the majority of these compounds are synthetic in nature, microorganisms in contaminated environments have rapidly adapted to their presence by evolving new biodegradation pathways that take advantage of them as sources of carbon, nitrogen, and energy. This review provides an overview of the synthesis of both man-made and biogenic nitroaromatic compounds, the bacteria that have been identified to grow on and completely mineralize nitroaromatic compounds, and the pathways that are present in these strains. The possible evolutionary origins of the newly evolved pathways are also discussed. PMID:20508249

  16. Aryl Polyenes, a Highly Abundant Class of Bacterial Natural Products, Are Functionally Related to Antioxidative Carotenoids.

    PubMed

    Schöner, Tim A; Gassel, Sören; Osawa, Ayako; Tobias, Nicholas J; Okuno, Yukari; Sakakibara, Yui; Shindo, Kazutoshi; Sandmann, Gerhard; Bode, Helge B

    2016-02-02

    Bacterial pigments of the aryl polyene type are structurally similar to the well-known carotenoids with respect to their polyene systems. Their biosynthetic gene cluster is widespread in taxonomically distant bacteria, and four classes of such pigments have been found. Here we report the structure elucidation of the aryl polyene/dialkylresorcinol hybrid pigments of Variovorax paradoxus B4 by HPLC-UV-MS, MALDI-MS and NMR. Furthermore, we show for the first time that this pigment class protects the bacterium from reactive oxygen species, similarly to what is known for carotenoids. An analysis of the distribution of biosynthetic genes for aryl polyenes and carotenoids in bacterial genomes is presented; it shows a complementary distribution of these protective pigments in bacteria. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Histogrammatic Method for Determining Relative Abundance of Input Gas Pulse

    NASA Technical Reports Server (NTRS)

    Mandrake, Lukas; Bornstein, Benjamin J.; Madzunkov, Stojan; MacAskill, John A.

    2012-01-01

    To satisfy the Major Constituents Analysis (MCA) requirements for the Vehicle Cabin Atmosphere Monitor (VCAM), this software analyzes the relative abundance ratios for N2, O2, Ar, and CO2 as a function of time and constructs their best-estimate mean. A histogram is first built of all abundance ratios for each of the species vs time. The abundance peaks corresponding to the intended measurement and any obfuscating background are then separated via standard peak-finding techniques in histogram space. A voting scheme is then used to include/exclude this particular time sample in the final average based on its membership to the intended measurement or the background population. This results in a robust and reasonable estimate of the abundance of trace components such as CO2 and Ar even in the presence of obfuscating backgrounds internal to the VCAM device. VCAM can provide a means for monitoring the air within the enclosed environments, such as the ISS (International Space Station), Crew Exploration Vehicle (CEV), a Lunar Habitat, or another vehicle traveling to Mars. Its miniature pre-concentrator, gas chromatograph (GC), and mass spectrometer can provide unbiased detection of a large number of organic species as well as MCA analysis. VCAM s software can identify the concentration of trace chemicals and whether the chemicals are on a targeted list of hazardous compounds. This innovation s performance and reliability on orbit, along with the ground team s assessment of its raw data and analysis results, will validate its technology for future use and development.

  18. Reduced nitrification and abundance of ammonia-oxidizing bacteria in acidic soil amended with biochar.

    PubMed

    Wang, Zhenyu; Zong, Haiying; Zheng, Hao; Liu, Guocheng; Chen, Lei; Xing, Baoshan

    2015-11-01

    Adding biochar into soils has potential to manipulate soil nitrification process due to its impacts on nitrogen (N) cycling, however, the exact mechanisms underlying the alteration of nitrification process in soils are still not clear. Nitrification in an acidic orchard soil amended with peanut shell biochar (PBC) produced at 400 °C was investigated. Nitrification was weakened by PBC addition due to the decreased NH4(+)-N content and reduced ammonia-oxidizing bacteria (AOB) abundance in PBC-amended soils. Adding phenolic compounds (PHCs) free biochar (PBC-P) increased the AOB abundance and the DGGE band number, indicating that PHCs remaining in the PBC likely reduced AOB abundance and diversity. However, PBC addition stimulated rape growth and increased N bioavailability. Overall, adding PBC could suppress the nitrification process and improve N bioavailability in the agricultural soils, and thus possibly mitigate the environmental negative impacts and improving N use efficiency in the acidic soils added with N fertilizer. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Iron Abundance in the Prototype PG 1159 Star, GW Vir Pulsator PG 1159-035, and Related Objects

    NASA Technical Reports Server (NTRS)

    Werner, K.; Rauch, T.; Kruk, J. W.; Kurucz, R. L.

    2011-01-01

    We performed an iron abundance determination of the hot, hydrogen deficient post-AGB star PG 1159-035. which is the prototype of the PG 1159 spectral class and the GW Vir pulsators, and of two related objects (PG 1520+525, PG 1144+005), based on the first detection of Fe VIII lines in stellar photospheres. In another PG 1159 star. PG 1424+535. we detect Fe VII lines. In all four stars, each within T(sub eff) = 110,000-150,000 K, we find a solar iron abundance. This result agrees with our recent abundance analysis of the hottest PG 1159 stars (T(sub eff) = 150,000-200,000 K) that exhibit Fe x lines. On the whole, we find that the PG 1159 stars are not significantly iron deficient, in contrast to previous notions.

  20. Anti-Cancer Properties of a Novel Class of Tetrafluorinated Thalidomide Analogs

    PubMed Central

    Beedie, Shaunna L.; Peer, Cody J.; Pisle, Steven; Gardner, Erin R.; Mahony, Chris; Barnett, Shelby; Ambrozak, Agnieszka; Gütschow, Michael; Chau, Cindy H.; Vargesson, Neil; Figg, William D.

    2015-01-01

    Thalidomide has demonstrated clinical activity in various malignancies affecting immunomodulatory and angiogenesis pathways. The development of novel thalidomide analogs with improved efficacy and decreased toxicity is an ongoing research effort. We recently designed and synthesized a new class of compounds, consisting of both tetrafluorinated thalidomide analogs (Gu973 and Gu998) and tetrafluorobenzamides (Gu1029 and Gu992). In this study, we demonstrate the anti-angiogenic properties of these newly synthesized compounds. We examined the specific anti-angiogenic characteristics in vitro using rat aortic rings with carboxyamidotriazole as a positive control. Additionally, further in vitro efficacy was evaluated using HUVECs and PC3 cells treated with 5μM and 10μM doses of each compound. All compounds were seen to reduce microvessel outgrowth in rat aortic rings as well as inhibit HUVECs to a greater extent, at lower concentrations than previously tested thalidomide analogs. The anti-angiogenic properties of the compounds was also examined in vivo in fli1:EGFP zebrafish embryos, where all compounds were seen to inhibit the extent of outgrowth of newly developing blood vessels. In addition, Gu1029 and Gu973 reduced the anti-inflammatory response in mpo:GFP zebrafish embryos, while Gu998 and Gu992 showed no difference. The compounds anti-tumor effects were also explored in vivo using the human prostate cancer PC3 xenograft model. All four compounds were also screened in vivo in chicken embryos to investigate their teratogenic potential. This study establishes these novel thalidomide analogs as a promising immunomodulatory class with anti-cancer effects that warrant further development to characterize their mechanisms of action. PMID:26269604

  1. Can Occupancy–Abundance Models Be Used to Monitor Wolf Abundance?

    PubMed Central

    Latham, M. Cecilia; Latham, A. David M.; Webb, Nathan F.; Mccutchen, Nicole A.; Boutin, Stan

    2014-01-01

    Estimating the abundance of wild carnivores is of foremost importance for conservation and management. However, given their elusive habits, direct observations of these animals are difficult to obtain, so abundance is more commonly estimated from sign surveys or radio-marked individuals. These methods can be costly and difficult, particularly in large areas with heavy forest cover. As an alternative, recent research has suggested that wolf abundance can be estimated from occupancy–abundance curves derived from “virtual” surveys of simulated wolf track networks. Although potentially more cost-effective, the utility of this approach hinges on its robustness to violations of its assumptions. We assessed the sensitivity of the occupancy–abundance approach to four assumptions: variation in wolf movement rates, changes in pack cohesion, presence of lone wolves, and size of survey units. Our simulations showed that occupancy rates and wolf pack abundances were biased high if track surveys were conducted when wolves made long compared to short movements, wolf packs were moving as multiple hunting units as opposed to a cohesive pack, and lone wolves were moving throughout the surveyed landscape. We also found that larger survey units (400 and 576 km2) were more robust to changes in these factors than smaller survey units (36 and 144 km2). However, occupancy rates derived from large survey units rapidly reached an asymptote at 100% occupancy, suggesting that these large units are inappropriate for areas with moderate to high wolf densities (>15 wolves/1,000 km2). Virtually-derived occupancy–abundance relationships can be a useful method for monitoring wolves and other elusive wildlife if applied within certain constraints, in particular biological knowledge of the surveyed species needs to be incorporated into the design of the occupancy surveys. Further, we suggest that the applicability of this method could be extended by directly incorporating some of its

  2. Biodegradation tests of mercaptocarboxylic acids, their esters, related divalent sulfur compounds and mercaptans.

    PubMed

    Rücker, Christoph; Mahmoud, Waleed M M; Schwartz, Dirk; Kümmerer, Klaus

    2018-04-17

    Mercaptocarboxylic acids and their esters, a class of difunctional compounds bearing both a mercapto and a carboxylic acid or ester functional group, are industrial chemicals of potential environmental concern. Biodegradation of such compounds was systematically investigated here, both by literature search and by experiments (Closed Bottle Test OECD 301D and Manometric Respirometry Test OECD 301F). These compounds were found either readily biodegradable or at least biodegradable to a significant extent. Some related compounds of divalent sulfur were tested for comparison (mercaptans, sulfides, disulfides). For the two relevant monofunctional compound classes, carboxylic acids/esters and mercaptans, literature data were compiled, and by comparison with structurally similar compounds without these functional groups, the influence of COOH/COOR' and SH groups on biodegradability was evaluated. Thereby, an existing rule of thumb for biodegradation of carboxylic acids/esters was supported by experimental data, and a rule of thumb could be formulated for mercaptans. Concurrent to biodegradation, abiotic processes were observed in the experiments, rapid oxidative formation of disulfides (dimerisation of monomercaptans and cyclisation of dimercaptans) and hydrolysis of esters. Some problems that compromise the reproducibility of biodegradation test results were discussed.

  3. Biogenic volatile organic compounds - small is beautiful

    NASA Astrophysics Data System (ADS)

    Owen, S. M.; Asensio, D.; Li, Q.; Penuelas, J.

    2012-12-01

    degradation rate in soil of the persistant organic pollutants, likely acting as analogues for the cometabo-lism of polychlorinated biphenyls (PCBs) Flowers of a ginger species (Alpinia kwangsiensis) and a fig species (Ficus hispida) showed different bVOC signals pre- and post pollination. For Ficus hispida, there are three floral stages of a fig-wasp dependency mechanism: receptive, post pollinator and interfloral. Of 28 compounds detected, transcaryophyllene with trans-β-farnesene were the most important at the receptor stage, trans-caryophyllene was the most abundant at the post-pollinator stage, and isoprene was the most abundant in the interfloral stage. Alpinia kwangsiensis presents two morphologies for the reproductive parts of the flower. The "anaflexistyle" morphology has the flower style lowered in the morning and raised in the afternoon. This is reversed for the "cataflexistyle" morphology. The bVOC mixture emitted by each morphology in morning and afternoon was complex. However for compounds showing a difference (cis-ocimene and Z + E epoxy -ocimene), the emissions from the anaflexistyle were greater than from the cataflexistyle, and were greater in the afternoon compared with the morning emissions. Where large flowering plant species are abundant, big changes in monoterpene emissions at < 2m above ground level over relatively small periods of time during pollination are likely to be missed in larger scale integrated flux measurements.

  4. [The vanadium compounds: chemistry, synthesis, insulinomimetic properties].

    PubMed

    Fedorova, E V; Buriakina, A V; Vorob'eva, N M; Baranova, N I

    2014-01-01

    The review considers the biological role of vanadium, its participation in various processes in humans and other mammals, and the anti-diabetic effect of its compounds. Vanadium salts have persistent hypoglycemic and antihyperlipidemic effects and reduce the probability of secondary complications in animals with experimental diabetes. The review contains a detailed description of all major synthesized vanadium complexes having antidiabetic activity. Currently, vanadium complexes with organic ligands are more effective and safer than the inorganic salts. Despite the proven efficacy of these compounds as the anti-diabetic agents in animal models, only one organic complex of vanadium is currently under the second phase of clinical trials. All of the considered data suggest that vanadium compound are a new promising class of drugs in modern pharmacotherapy of diabetes.

  5. Blue Photoluminescence From Silacyclobutene Compounds

    NASA Astrophysics Data System (ADS)

    Pernisz, Udo

    1999-04-01

    Organosilicon compounds in which the Si atom is bound to an aromatic moiety such as a phenyl group, exhibit strong blue photoluminescence when excited with UV light (for example at a wavelength of 337 nm). This phenomenon was investigated quantitatively at room temperature and at the temperature of liquid nitrogen (78 K) by measuring the emission and excitation spectra of the total luminescence, and of the phosphorescence, for a silacyclobutene compound in which two phenyl groups are joined across the C=C double bond of the ring. The effect of a series of organic substituents on the Si atom was investigated as well as the time dependence of the phosphorescence intensity decay for this class of materials. A tentative model of the energy levels in this compound is proposed. The observation of visible blue emission -- in contrast to photoluminescence in the UV from the aromatic groups -- is explained by the Si-C bond lowering the energy of the molecular orbitals, an effect that is currently under study for a range of Si-containing compounds. Synthesis of the silacyclobutene compounds was performed at the laboratory of Prof. N. Auner, now at J.W. Goethe Universität, Frankfurt, Germany. His contributions, and those of his collaborators, to the work reported here are gratefully acknowledged.

  6. Extraterrestrial Organic Compounds in Meteorites

    NASA Technical Reports Server (NTRS)

    Botta, Oliver; Bada, Jeffrey L.; Meyer, Michael (Technical Monitor)

    2003-01-01

    Many organic compounds or their precursors found in meteorites originated in the interstellar or circumstellar medium and were later incorporated into planetesimals during the formation of the solar system. There they either survived intact or underwent further processing to synthesize secondary products on the meteorite parent body. The most distinct feature of CI and CM carbonaceous chondrites, two types of stony meteorites, is their high carbon content (up to 3% of weight), either in the form of carbonates or of organic compounds. The bulk of the organic carbon consists of an insoluble macromolecular material with a complex structure. Also present is a soluble organic fraction, which has been analyzed by several separation and analytical procedures. Low detection limits can be achieved by derivatization of the organic molecules with reagents that allow for analysis by gas chromatography/mass spectroscopy and high performance liquid chromatography. The CM meteorite Murchison has been found to contain more than 70 extraterrestrial amino acids and several other classes of compounds including carboxylic acids, hydroxy carboxylic acids, sulphonic and phosphonic acids, aliphatic, aromatic and polar hydrocarbons, fullerenes, heterocycles as well as carbonyl compounds, alcohols, amines and amides. The organic matter was found to be enriched in deuterium, and distinct organic compounds show isotopic enrichments of carbon and nitrogen relative to terrestrial matter.

  7. Observations of volatile organic compounds over the North Atlantic Ocean: relationships to dominant cyanobacterial populations.

    NASA Astrophysics Data System (ADS)

    Swarthout, R.; Rossell, R.; Sive, B. C.; Zhou, Y.; Reddy, C. M.; Valentine, D. L.; Cox, D.

    2017-12-01

    Marine cyanobacteria are abundant primary producers that can have a major influence on the oceanic biogeochemical cycles. In particular, the prominent cyanobacterial genera Prochlorococcus, Synechococcus, and Trichodesmium can impact the air-sea flux of volatile organic compounds (VOCs) including reactive compounds, such as isoprene, that control the oxidative capacity of the atmosphere and climate-relevant compounds, such as dimethyl sulfide. These groups of cyanobacteria have been estimated to increase in abundance by up to 29% by the end of the century as a result of rising sea surface temperatures and dissolved carbon dioxide concentrations. Given their current and predicted future abundance, understanding the role of different cyanobacterial populations on VOC emissions from the ocean is critical in understanding the future oxidative capacity of the remote atmosphere and climate feedback cycles. During the May 2017 Phosphorus, Hydrocarbons, and Transcriptomics cruise aboard the R/V Neil Armstrong, 160 whole air canister samples were collected along a transect through the North Atlantic from Woods Hole, MA to Bermuda and back with 24-hour stops at nine stations encompassing different nutrient regimes and cyanobacterial populations. At each station, a diurnal time series of samples was collected and higher frequency sampling was conducted during transits of the north wall. Canister samples were analyzed on a five-detector gas chromatography system for over 80 individual VOCs including biogenics, aromatics, chlorinated and brominated compounds, and sulfur containing compounds. Trends in reactive and climate-relevant VOCs will be discussed as a function of the predominant cyanobacterial populations at each sample location. These data provide increased information on the spatial and diurnal variability of trace gases associated with these globally important photosynthetic cyanobacteria.

  8. Effects of twenty-five compounds on four species of aquatic fungi (Saprolegniales) pathogenic to fish

    USGS Publications Warehouse

    Bailey, T.A.

    1984-01-01

    Four species of aquatic fungi (Achlya flagellata, A. racemosa, Saprolegnia hypogyna, and S. megasperma) were exposed to 25 chemicals representing seven classes of compounds for 15 and 60 min, in an effort to identify potential fungicidal agents for use in fish culture. The antifungal activity of each chemical was compared with that of malachite green, a reference compound with known fungicidal properties but not registered for fishery use. Six compounds which inhibited fungal growth on artificial media at concentrations of < 100 mg/l (listed in order of decreasing antifungal activity) were the cationics Du-terA? and copper oxychloride sulfate, the amine LesanA?, the amide BAS-389-O1F and the cationics CuprimyxinA? and RoccalA? II. Certain chemicals from these classes of compounds may have promise as aquatic fungicides.

  9. Anticarcinogenic Effect of Spices Due to Phenolic and Flavonoid Compounds-In Vitro Evaluation on Prostate Cells.

    PubMed

    Lackova, Zuzana; Buchtelova, Hana; Buchtova, Zaneta; Klejdus, Borivoj; Heger, Zbynek; Brtnicky, Martin; Kynicky, Jindrich; Zitka, Ondrej; Adam, Vojtech

    2017-09-28

    This study shows the effects of spices, and their phenolic and flavonoid compounds, on prostate cell lines (PNT1A, 22RV1 and PC3). The results of an MTT assay on extracts from eight spices revealed the strongest inhibitory effects were from black pepper and caraway seed extracts. The strongest inhibitory effect on prostatic cells was observed after the application of extracts of spices in concentration of 12.5 mg·mL -1 . An LC/MS analysis identified that the most abundant phenolic and flavonoid compounds in black pepper are 3,4-dihydroxybenzaldehyde and naringenin chalcone, while the most abundant phenolic and flavonoid compounds in caraway seeds are neochlorogenic acid and apigenin. Using an MTT assay for the phenolic and flavonoid compounds from spices, we identified the IC 50 value of ~1 mmol·L -1 PNT1A. The scratch test demonstrated that the most potent inhibitory effect on PNT1A, 22RV1 and PC3 cells is from the naringenin chalcone contained in black pepper. From the spectrum of compounds assessed, the naringenin chalcone contained in black pepper was identified as the most potent inhibitor of the growth of prostate cells.

  10. A Perturbation Based Decomposition of Compound-Evoked Potentials for Characterization of Nerve Fiber Size Distributions.

    PubMed

    Szlavik, Robert B

    2016-02-01

    The characterization of peripheral nerve fiber distributions, in terms of diameter or velocity, is of clinical significance because information associated with these distributions can be utilized in the differential diagnosis of peripheral neuropathies. Electro-diagnostic techniques can be applied to the investigation of peripheral neuropathies and can yield valuable diagnostic information while being minimally invasive. Nerve conduction velocity studies are single parameter tests that yield no detailed information regarding the characteristics of the population of nerve fibers that contribute to the compound-evoked potential. Decomposition of the compound-evoked potential, such that the velocity or diameter distribution of the contributing nerve fibers may be determined, is necessary if information regarding the population of contributing nerve fibers is to be ascertained from the electro-diagnostic study. In this work, a perturbation-based decomposition of compound-evoked potentials is proposed that facilitates determination of the fiber diameter distribution associated with the compound-evoked potential. The decomposition is based on representing the single fiber-evoked potential, associated with each diameter class, as being perturbed by contributions, of varying degree, from all the other diameter class single fiber-evoked potentials. The resultant estimator of the contributing nerve fiber diameter distribution is valid for relatively large separations in diameter classes. It is also useful in situations where the separation between diameter classes is small and the concomitant single fiber-evoked potentials are not orthogonal.

  11. Advances in copper-catalyzed C-C coupling reactions and related domino reactions based on active methylene compounds.

    PubMed

    Liu, Yunyun; Wan, Jie-Ping

    2012-06-01

    Active methylene compounds are a major class of reaction partners for C-C bond formation with sp(2) C-X (X = halide) fragments. As one of the most-classical versions of the Ullmann-type coupling reaction, activated-methylene-based C-C coupling reactions have been efficiently employed in a large number of syntheses. Although this type of reaction has long relied on noble-metal catalysis, the renaissance of copper catalysis at the end of last century has led to dramatic developments in Ullmann C-C coupling reactions. Owing to its low cost, abundance, as well as excellent catalytic activity, the exceptional atom economy of copper catalysis is gaining widespread attention in various organic synthesis. This review summarizes the advances in copper-catalyzed intermolecular and intramolecular C-C coupling reactions that use activated methylene species as well as in tandem reactions that are initiated by this transformation. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Verrucomicrobia are prevalent in north-temperate freshwater lakes and display class-level preferences between lake habitats

    PubMed Central

    Chiang, Edna; Schmidt, Marian L.; Berry, Michelle A.; Biddanda, Bopaiah A.; Burtner, Ashley; Johengen, Thomas H.; Palladino, Danna

    2018-01-01

    The bacterial phylum Verrucomicrobia was formally described two decades ago and originally believed to be a minor member of many ecosystems; however, it is now recognized as ubiquitous and abundant in both soil and aquatic systems. Nevertheless, knowledge of the drivers of its relative abundance and within-phylum habitat preferences remains sparse, especially in lake systems. Here, we documented the distribution of Verrucomicrobia in 12 inland lakes in Southeastern Michigan, a Laurentian Great Lake (Lake Michigan), and a freshwater estuary, which span a gradient in lake sizes, depths, residence times, and trophic states. A wide range of physical and geochemical parameters was covered by sampling seasonally from the surface and bottom of each lake, and by separating samples into particle-associated and free-living fractions. On average, Verrucomicrobia was the 4th most abundant phylum (range 1.7–41.7%). Fraction, season, station, and depth explained up to 70% of the variance in Verrucomicrobia community composition and preference for these habitats was phylogenetically conserved at the class-level. When relative abundance was linearly modeled against environmental data, Verrucomicrobia and non-Verrucomicrobia bacterial community composition correlated to similar quantitative environmental parameters, although there were lake system-dependent differences and > 55% of the variance remained unexplained. A majority of the phylum exhibited preference for the particle-associated fraction and two classes (Opitutae and Verrucomicrobiae) were identified to be more abundant during the spring season. This study highlights the high relative abundance of Verrucomicrobia in north temperate lake systems and expands insights into drivers of within-phylum habitat preferences of the Verrucomicrobia. PMID:29590198

  13. Cinnamoyl compounds as simple molecules that inhibit p300 histone acetyltransferase.

    PubMed

    Costi, Roberta; Di Santo, Roberto; Artico, Marino; Miele, Gaetano; Valentini, Paola; Novellino, Ettore; Cereseto, Anna

    2007-04-19

    Cinnamoly compounds 1a-c and 2a-d were designed, synthesized, and in vitro tested as p300 inhibitors. At different degrees, all tested compounds were proven to inactivate p300, particularly, derivative 2c was the most active inhibitor, also showing high specificity for p300 as compared to other histone acetyltransferases. Most notably, 2c showed anti-acetylase activity in mammalian cells. These compounds represent a new class of synthetic inhibitors of p300, characterized by simple chemical structures.

  14. Contamination levels of human pharmaceutical compounds in French surface and drinking water.

    PubMed

    Mompelat, S; Thomas, O; Le Bot, B

    2011-10-01

    The occurrence of 20 human pharmaceutical compounds and metabolites from 10 representative therapeutic classes was analysed from resource and drinking water in two catchment basins located in north-west France. 98 samples were analysed from 63 stations (surface water and drinking water produced from surface water). Of the 20 human pharmaceutical compounds selected, 16 were quantified in both the surface water and drinking water, with 22% of the values above the limit of quantification for surface water and 14% for drinking water). Psychostimulants, non-steroidal anti-inflammatory drugs, iodinated contrast media and anxiolytic drugs were the main therapeutic classes of human pharmaceutical compounds detected in the surface water and drinking water. The results for surface water were close to results from previous studies in spite of differences in prescription rates of human pharmaceutical compounds in different countries. The removal rate of human pharmaceutical compounds at 11 water treatment units was also determined. Only caffeine proved to be resistant to drinking water treatment processes (with a minimum rate of 5%). Other human pharmaceutical compounds seemed to be removed more efficiently (average elimination rate of over 50%) by adsorption onto activated carbon and oxidation/disinfection with ozone or chlorine (not taking account of the disinfection by-products). These results add to the increasing evidence of the occurrence of human pharmaceutical compounds in drinking water that may represent a threat to human beings exposed to a cocktail of human pharmaceutical compounds and related metabolites and by-products in drinking water.

  15. Consumer palatability scores and volatile beef flavor compounds of five USDA quality grades and four muscles.

    PubMed

    Legako, J F; Brooks, J C; O'Quinn, T G; Hagan, T D J; Polkinghorne, R; Farmer, L J; Miller, M F

    2015-02-01

    Proximate data, consumer palatability scores and volatile compounds were investigated for four beef muscles (Longissimus lumborum, Psoas major, Semimembranosus and Gluteus medius) and five USDA quality grades(Prime, Upper 2/3 Choice, Low Choice, Select, and Standard). Quality grade did not directly affect consumer scores or volatiles but interactions (P < 0.05) between muscle and grade were determined. Consumer scores and volatiles differed (P < 0.05) between muscles. Consumers scored Psoas major highest for tenderness, juiciness, flavor liking and overall liking, followed by Longissimus lumborum, Gluteus medius, and Semimembranosus (P < 0.05). Principal component analysis revealed clustering of compound classes, formed by related mechanisms. Volatile n-aldehydes were inversely related to percent fat. Increases in lipid oxidation compounds were associated with Gluteus medius and Semimembranosus, while greater quantities of sulfur-containing compounds were associated with Psoas major. Relationships between palatability scores and volatile compound classes suggest that differences in the pattern of volatile compounds may play a valuable role in explaining consumer liking.

  16. Identification of the functional binding pocket for compounds targeting small-conductance Ca2+-activated potassium channels

    PubMed Central

    Zhang, Miao; Pascal, John M.; Schumann, Marcel; Armen, Roger S.; Zhang, Ji-fang

    2012-01-01

    Small- and intermediate-conductance Ca2+-activated potassium channels, activated by Ca2+-bound calmodulin, play an important role in regulating membrane excitability. These channels are also linked to clinical abnormalities. A tremendous amount of effort has been devoted to developing small molecule compounds targeting these channels. However, these compounds often suffer from low potency and lack of selectivity, hindering their potentials for clinical use. A key contributing factor is the lack of knowledge of the binding site(s) for these compounds. Here we demonstrate by X-ray crystallography that the binding pocket for the compounds of the 1-EBIO class is located at the calmodulin-channel interface. We show that, based on structure data and molecular docking, mutations of the channel can effectively change the potency of these compounds. Our results provide insight into the molecular nature of the binding pocket and its contribution to the potency and selectivity of the compounds of the 1-EBIO class. PMID:22929778

  17. Integrating spatially explicit indices of abundance and habitat quality: an applied example for greater sage-grouse management

    USGS Publications Warehouse

    Coates, Peter S.; Casazza, Michael L.; Ricca, Mark A.; Brussee, Brianne E.; Blomberg, Erik J.; Gustafson, K. Benjamin; Overton, Cory T.; Davis, Dawn M.; Niell, Lara E.; Espinosa, Shawn P.; Gardner, Scott C.; Delehanty, David J.

    2016-01-01

    Predictive species distributional models are a cornerstone of wildlife conservation planning. Constructing such models requires robust underpinning science that integrates formerly disparate data types to achieve effective species management. Greater sage-grouse Centrocercus urophasianus, hereafter “sage-grouse” populations are declining throughout sagebrush-steppe ecosystems in North America, particularly within the Great Basin, which heightens the need for novel management tools that maximize use of available information. Herein, we improve upon existing species distribution models by combining information about sage-grouse habitat quality, distribution, and abundance from multiple data sources. To measure habitat, we created spatially explicit maps depicting habitat selection indices (HSI) informed by > 35 500 independent telemetry locations from > 1600 sage-grouse collected over 15 years across much of the Great Basin. These indices were derived from models that accounted for selection at different spatial scales and seasons. A region-wide HSI was calculated using the HSI surfaces modelled for 12 independent subregions and then demarcated into distinct habitat quality classes. We also employed a novel index to describe landscape patterns of sage-grouse abundance and space use (AUI). The AUI is a probabilistic composite of: (i) breeding density patterns based on the spatial configuration of breeding leks and associated trends in male attendance; and (ii) year-round patterns of space use indexed by the decreasing probability of use with increasing distance to leks. The continuous AUI surface was then reclassified into two classes representing high and low/no use and abundance. Synthesis and applications. Using the example of sage-grouse, we demonstrate how the joint application of indices of habitat selection, abundance, and space use derived from multiple data sources yields a composite map that can guide effective allocation of management intensity across

  18. Integrating spatially explicit indices of abundance and habitat quality: an applied example for greater sage-grouse management.

    PubMed

    Coates, Peter S; Casazza, Michael L; Ricca, Mark A; Brussee, Brianne E; Blomberg, Erik J; Gustafson, K Benjamin; Overton, Cory T; Davis, Dawn M; Niell, Lara E; Espinosa, Shawn P; Gardner, Scott C; Delehanty, David J

    2016-02-01

    Predictive species distributional models are a cornerstone of wildlife conservation planning. Constructing such models requires robust underpinning science that integrates formerly disparate data types to achieve effective species management.Greater sage-grouse Centrocercus urophasianus , hereafter 'sage-grouse' populations are declining throughout sagebrush-steppe ecosystems in North America, particularly within the Great Basin, which heightens the need for novel management tools that maximize the use of available information.Herein, we improve upon existing species distribution models by combining information about sage-grouse habitat quality, distribution and abundance from multiple data sources. To measure habitat, we created spatially explicit maps depicting habitat selection indices (HSI) informed by >35 500 independent telemetry locations from >1600 sage-grouse collected over 15 years across much of the Great Basin. These indices were derived from models that accounted for selection at different spatial scales and seasons. A region-wide HSI was calculated using the HSI surfaces modelled for 12 independent subregions and then demarcated into distinct habitat quality classes.We also employed a novel index to describe landscape patterns of sage-grouse abundance and space use (AUI). The AUI is a probabilistic composite of the following: (i) breeding density patterns based on the spatial configuration of breeding leks and associated trends in male attendance; and (ii) year-round patterns of space use indexed by the decreasing probability of use with increasing distance to leks. The continuous AUI surface was then reclassified into two classes representing high and low/no use and abundance. Synthesis and application s. Using the example of sage-grouse, we demonstrate how the joint application of indices of habitat selection, abundance and space use derived from multiple data sources yields a composite map that can guide effective allocation of management

  19. Current and evolving approaches for improving the oral permeability of BCS Class III or analogous molecules.

    PubMed

    Dave, Vivek S; Gupta, Deepak; Yu, Monica; Nguyen, Phuong; Varghese Gupta, Sheeba

    2017-02-01

    The Biopharmaceutics Classification System (BCS) classifies pharmaceutical compounds based on their aqueous solubility and intestinal permeability. The BCS Class III compounds are hydrophilic molecules (high aqueous solubility) with low permeability across the biological membranes. While these compounds are pharmacologically effective, poor absorption due to low permeability becomes the rate-limiting step in achieving adequate bioavailability. Several approaches have been explored and utilized for improving the permeability profiles of these compounds. The approaches include traditional methods such as prodrugs, permeation enhancers, ion-pairing, etc., as well as relatively modern approaches such as nanoencapsulation and nanosizing. The most recent approaches include a combination/hybridization of one or more traditional approaches to improve drug permeability. While some of these approaches have been extremely successful, i.e. drug products utilizing the approach have progressed through the USFDA approval for marketing; others require further investigation to be applicable. This article discusses the commonly studied approaches for improving the permeability of BCS Class III compounds.

  20. How enhanced molecular ions in Cold EI improve compound identification by the NIST library.

    PubMed

    Alon, Tal; Amirav, Aviv

    2015-12-15

    Library-based compound identification with electron ionization (EI) mass spectrometry (MS) is a well-established identification method which provides the names and structures of sample compounds up to the isomer level. The library (such as NIST) search algorithm compares different EI mass spectra in the library's database with the measured EI mass spectrum, assigning each of them a similarity score called 'Match' and an overall identification probability. Cold EI, electron ionization of vibrationally cold molecules in supersonic molecular beams, provides mass spectra with all the standard EI fragment ions combined with enhanced Molecular Ions and high-mass fragments. As a result, Cold EI mass spectra differ from those provided by standard EI and tend to yield lower matching scores. However, in most cases, library identification actually improves with Cold EI, as library identification probabilities for the correct library mass spectra increase, despite the lower matching factors. This research examined the way that enhanced molecular ion abundances affect library identification probability and the way that Cold EI mass spectra, which include enhanced molecular ions and high-mass fragment ions, typically improve library identification results. It involved several computer simulations, which incrementally modified the relative abundances of the various ions and analyzed the resulting mass spectra. The simulation results support previous measurements, showing that while enhanced molecular ion and high-mass fragment ions lower the matching factor of the correct library compound, the matching factors of the incorrect library candidates are lowered even more, resulting in a rise in the identification probability for the correct compound. This behavior which was previously observed by analyzing Cold EI mass spectra can be explained by the fact that high-mass ions, and especially the molecular ion, characterize a compound more than low-mass ions and therefore carries more

  1. Geo-statistical analysis of Culicoides spp. distribution and abundance in Sicily, Italy.

    PubMed

    Blanda, Valeria; Blanda, Marcellocalogero; La Russa, Francesco; Scimeca, Rossella; Scimeca, Salvatore; D'Agostino, Rosalia; Auteri, Michelangelo; Torina, Alessandra

    2018-02-01

    Biting midges belonging to Culicoides imicola, Culicoides obsoletus complex and Culicoides pulicaris complex (Diptera: Ceratopogonidae) are increasingly implicated as vectors of bluetongue virus in Palaearctic regions. Culicoides obsoletus complex includes C. obsoletus (sensu stricto), C. scoticus, C. dewulfi and C. chiopterus. Culicoides pulicaris and C. lupicaris belong to the Culicoides pulicaris complex. The aim of this study was a geo-statistical analysis of the abundance and spatial distribution of Culicoides spp. involved in bluetongue virus transmission. As part of the national bluetongue surveillance plan 7081 catches were collected in 897 Sicilian farms from 2000 to 2013. Onderstepoort-type blacklight traps were used for sample collection and each catch was analysed for the presence of Culicoides spp. and for the presence and abundance of Culicoides vector species (C. imicola, C. pulicaris / C. obsoletus complexes). A geo-statistical analysis was carried out monthly via the interpolation of measured values based on the Inverse Distance Weighted method, using a GIS tool. Raster maps were reclassified into seven classes according to the presence and abundance of Culicoides, in order to obtain suitable maps for Map Algebra operations. Sicilian provinces showing a very high abundance of Culicoides vector species were Messina (80% of the whole area), Palermo (20%) and Catania (12%). A total of 5654 farms fell within the very high risk area for bluetongue (21% of the 26,676 farms active in Sicily); of these, 3483 farms were in Messina, 1567 in Palermo and 604 in Catania. Culicoides imicola was prevalent in Palermo, C. pulicaris in Messina and C. obsoletus complex was very abundant over the whole island with the highest abundance value in Messina. Our study reports the results of a geo-statistical analysis concerning the abundance and spatial distribution of Culicoides spp. in Sicily throughout the fourteen year study. It provides useful decision support in the

  2. Estimating abundance while accounting for rarity, correlated behavior, and other sources of variation in counts.

    PubMed

    Dorazio, Robert M; Martin, Julien; Edwards, Holly H

    2013-07-01

    The class of N-mixture models allows abundance to be estimated from repeated, point count surveys while adjusting for imperfect detection of individuals. We developed an extension of N-mixture models to account for two commonly observed phenomena in point count surveys: rarity and lack of independence induced by unmeasurable sources of variation in the detectability of individuals. Rarity increases the number of locations with zero detections in excess of those expected under simple models of abundance (e.g., Poisson or negative binomial). Correlated behavior of individuals and other phenomena, though difficult to measure, increases the variation in detection probabilities among surveys. Our extension of N-mixture models includes a hurdle model of abundance and a beta-binomial model of detectability that accounts for additional (extra-binomial) sources of variation in detections among surveys. As an illustration, we fit this model to repeated point counts of the West Indian manatee, which was observed in a pilot study using aerial surveys. Our extension of N-mixture models provides increased flexibility. The effects of different sets of covariates may be estimated for the probability of occurrence of a species, for its mean abundance at occupied locations, and for its detectability.

  3. Estimating abundance while accounting for rarity, correlated behavior, and other sources of variation in counts

    USGS Publications Warehouse

    Dorazio, Robert M.; Martin, Juulien; Edwards, Holly H.

    2013-01-01

    The class of N-mixture models allows abundance to be estimated from repeated, point count surveys while adjusting for imperfect detection of individuals. We developed an extension of N-mixture models to account for two commonly observed phenomena in point count surveys: rarity and lack of independence induced by unmeasurable sources of variation in the detectability of individuals. Rarity increases the number of locations with zero detections in excess of those expected under simple models of abundance (e.g., Poisson or negative binomial). Correlated behavior of individuals and other phenomena, though difficult to measure, increases the variation in detection probabilities among surveys. Our extension of N-mixture models includes a hurdle model of abundance and a beta-binomial model of detectability that accounts for additional (extra-binomial) sources of variation in detections among surveys. As an illustration, we fit this model to repeated point counts of the West Indian manatee, which was observed in a pilot study using aerial surveys. Our extension of N-mixture models provides increased flexibility. The effects of different sets of covariates may be estimated for the probability of occurrence of a species, for its mean abundance at occupied locations, and for its detectability.

  4. Design of cinnamaldehyde amino acid Schiff base compounds based on the quantitative structure–activity relationship

    Treesearch

    Hui Wang; Mingyue Jiang; Shujun Li; Chung-Yun Hse; Chunde Jin; Fangli Sun; Zhuo Li

    2017-01-01

    Cinnamaldehyde amino acid Schiff base (CAAS) is a new class of safe, bioactive compounds which could be developed as potential antifungal agents for fungal infections. To design new cinnamaldehyde amino acid Schiff base compounds with high bioactivity, the quantitative structure–activity relationships (QSARs) for CAAS compounds against Aspergillus niger (A. niger) and...

  5. NEON AND OXYGEN ABUNDANCES AND ABUNDANCE RATIO IN THE SOLAR CORONA

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Landi, E.; Testa, P., E-mail: elandi@umich.edu

    2015-02-20

    In this work we determine the Ne/O abundance ratio from Solar and Heliospheric Observatory (SOHO)/Solar Ultraviolet Measurement of Emitted Radiation (SUMER) off-disk observations of quiescent streamers over the 1996-2008 period. We find that the Ne/O ratio is approximately constant over solar cycle 23 from 1996 to 2005, at a value of 0.099 ± 0.017; this value is lower than the transition region determinations from the quiet Sun used to infer the neon photospheric abundance from the oxygen photospheric abundance. Also, the Ne/O ratio we determined from SUMER is in excellent agreement with in situ determinations from ACE/SWICS. In 2005-2008, the Ne/O abundancemore » ratio increased with time and reached 0.25 ± 0.05, following the same trend found in the slowest wind analyzed by ACE/SWICS. Further, we measure the absolute abundance in the corona for both oxygen and neon from the data set of 1996 November 22, obtaining A {sub o} = 8.99 ± 0.04 and A {sub Ne} = 7.92 ± 0.03, and we find that both elements are affected by the first ionization potential (FIP) effect, with oxygen being enhanced by a factor of 1.4-2.1 over its photospheric abundance, and neon being changed by a factor of 0.75-1.20. We conclude that the Ne/O ratio is not constant in the solar atmosphere, both in time and at different heights, and that it cannot be reliably used to infer the neon abundance in the photosphere. Also, we argue that the FIP effect was less effective during the minimum of solar cycle 24, and that the Ne/O = 0.25 ± 0.05 value measured at that time is closer to the true photospheric value, leading to a neon photospheric abundance larger than assumed by ≈40%. We discuss the implications of these results for the solar abundance problem, for the FIP effect, and for the identification of the source regions of the solar wind.« less

  6. Removal of organic compounds from shale gas flowback water.

    PubMed

    Butkovskyi, Andrii; Faber, Ann-Hélène; Wang, Yue; Grolle, Katja; Hofman-Caris, Roberta; Bruning, Harry; Van Wezel, Annemarie P; Rijnaarts, Huub H M

    2018-07-01

    Ozonation, sorption to granular activated carbon and aerobic degradation were compared as potential treatment methods for removal of dissolved organic carbon (DOC) fractions and selected organic compounds from shale gas flowback water after pre-treatment in dissolved air flotation unit. Flowback water was characterised by high chemical oxygen demand and DOC. Low molecular weight (LMW) acids and neutral compounds were the most abundant organic fractions, corresponding to 47% and 35% of DOC respectively. Ozonation did not change distribution of organic carbon fractions and concentrations of detected individual organic compounds significantly. Sorption to activated carbon targeted removal of individual organic compounds with molecular weight >115 Da, whereas LMW compounds remained largely unaffected. Aerobic degradation was responsible for removal of LMW compounds and partial ammonium removal, whereas formation of intermediates with molecular weight of 200-350 Da was observed. Combination of aerobic degradation for LMW organics removal with adsorption to activated carbon for removal of non-biodegradable organics is proposed to be implemented between pre-treatment (dissolved air floatation) and desalination (thermal or membrane desalination) steps. Copyright © 2018 Elsevier Ltd. All rights reserved.

  7. Extinct radioactivities - A three-phase mixing model. [for early solar system abundances

    NASA Technical Reports Server (NTRS)

    Clayton, D. D.

    1983-01-01

    A new class of models is advanced for interpreting the relationship of radioactive abundances in the early solar system to their average concentration in the interstellar medium. The model assumes that fresh radioactivities are ejected from supernovae into the hot interstellar medium, and that the time scales for changes of phase into molecular clouds determine how much survives for formation therein of the solar system. A more realistic and physically motivated understanding of the low observed concentrations of I-129, Pu-244, and Pd-107 may result.

  8. Novel Polyfluorinated Compounds Identified Using High ...

    EPA Pesticide Factsheets

    Concern over persistence, bioaccumulation, and toxicity has led to international regulation and phase-outs of certain perfluorinated compounds and little is known about their replacement products. High resolution mass spectrometry was used to investigate the occurrence and identity of replacement fluorinated compounds in surface water and sediment of the Tennessee River near Decatur, Alabama. Analysis of legacy Per- and polyfluoroalkyl substances (PFASs) revealed a marked increase in concentrations downstream of manufacturing facilities, with the most abundant compounds being perfluorooctanesulfonate (PFOS), perfluorobutanesulfonate (PFBS), and perfluorooctanoic acid (PFOA) as high as 220 ng L–1, 160 ng L–1, and 120 ng L–1, respectively. A series of nine polyfluorinated carboxylic acids was discovered, each differing by CF2CH2. These acids are likely products or byproducts of a manufacturing process that uses 1,1-difluoroethene, which is registered to a manufacturing facility in the area. Two other predominant compounds discovered have structures consistent with perfluorobutanesulfonate and perfluoroheptanoic acid but have a single hydrogen substituted for a fluorine someplace in their structure. A polyfluoroalkyl sulfate with differing mixes of hydrogen and fluorine substitution was also observed. N-methyl perfluorobutane sulfonamidoacetic acid (MeFBSAA) was observed at high concentrations and several other perfluorobutane sulfonamido substances were pres

  9. Protein targets for anticancer gold compounds: mechanistic inferences.

    PubMed

    Gabbiani, Chiara; Messori, Luigi

    2011-12-01

    Gold compounds form an interesting class of antiproliferative agents of potential pharmacological use in cancer treatment. Indeed, a number of gold compounds, either gold(III) or gold(I), were recently described and characterised that manifested remarkable cytotoxic properties in vitro against cultured cancer cells; for some of them encouraging in vivo results were also reported toward a few relevant animal models of cancer. The molecular mechanisms through which gold compounds exert their biological effects are still largely unknown and the subject of intense investigations. Recent studies point out that the modes of action of cytotoxic gold compounds are essentially DNA-independent and cisplatin-unrelated, relying -most likely- on gold interactions with a variety of protein targets. Notably, a few cellular proteins playing relevant functional roles were proposed to represent effective targets for cytotoxic gold compounds but these hypotheses need adequate validation. The state of the art of this research area and the perspectives for future studies are herein critically analysed and discussed.

  10. Oceanic Emissions and Atmospheric Depositions of Volatile Organic Compounds

    NASA Astrophysics Data System (ADS)

    Yang, M.; Blomquist, B.; Beale, R.; Nightingale, P. D.; Liss, P. S.

    2015-12-01

    Atmospheric volatile organic compounds (VOCs) affect the tropospheric oxidative capacity due to their ubiquitous abundance and relatively high reactivity towards the hydroxyal radical. Over the ocean and away from terrestrial emission sources, oxygenated volatile organic compounds (OVOCs) make up a large fraction of VOCs as airmasses age and become more oxidized. In addition to being produced or destroyed in the marine atmosphere, OVOCs can also be emitted from or deposited to the surface ocean. Here we first present direct air-sea flux measurements of three of the most abundant OVOCs - methanol, acetone, and acetaldehyde, by the eddy covariance technique from two cruises in the Atlantic: the Atlantic Meridional Transect in 2012 and the High Wind Gas Exchange Study in 2013. The OVOC mixing ratios were quantified by a high resolution proton-reaction-transfer mass spectrometer with isotopically labeled standards and their air-sea (net) fluxes were derived from the eddy covariance technique. Net methanol flux was consistently from the atmosphere to the surface ocean, while acetone varied from supersaturation (emission) in the subtropics to undersaturation (deposition) in the higher latitudes of the North Atlantic. The net air-sea flux of acetaldehyde is near zero through out the Atlantic despite the apparent supersaturation of this compound in the surface ocean. Knowing the dissolved concentrations and in situ production rates of these compounds in seawater, we then estimate their bulk atmospheric depositions and oceanic emissions. Lastly, we summarize the state of knowledge on the air-sea transport of a number of organic gasses, and postulate the magnitude and environmental impact of total organic carbon transfer between the ocean and the atmosphere.

  11. The pharmacokinetics and health benefits of orange peel compounds

    USDA-ARS?s Scientific Manuscript database

    Orange peel is a resource rich in phenolic antioxidants, including several classes of flavonoids and hydroxycinnamates. These compounds have been extensively studied for their biological actions particularly against chronic diseases in humans. Yet, full development of these materials as new, commerc...

  12. Actinide abundances in ordinary chondrites

    NASA Technical Reports Server (NTRS)

    Hagee, B.; Bernatowicz, T. J.; Podosek, F. A.; Johnson, M. L.; Burnett, D. S.

    1990-01-01

    Measurements of actinide and light REE (LREE) abundances and of phosphate abundances in equilibrated ordinary chondrites were obtained and were used to define the Pu abundance in the solar system and to determine the degree of variation of actinide and LREE abundances. The results were also used to compare directly the Pu/U ratio with the earlier obtained ratio determined indirectly, as (Pu/Nd)x(Nd/U), assuming that Pu behaves chemically as a LREE. The data, combined with high-accuracy isotope-dilution data from the literature, show that the degree of gram-scale variability of the Th, U, and LREE abundances for equilibrated ordinary chondrites is a factor of 2-3 for absolute abundances and up to 50 percent for relative abundances. The observed variations are interpreted as reflecting the differences in the compositions and/or proportions of solar nebula components accreted to ordinary chondrite parent bodies.

  13. The Compound and Homologous Eruptions from the SAR 11429

    NASA Astrophysics Data System (ADS)

    Dhakal, Suman Kumar; Zhang, Jie

    2016-05-01

    Super Active Regions (SARs) are ARs which shows extremely high rate of solar eruptions. NOAA AR 11429 was a SAR which produced 47 C-Class, 15 M-Class and 3 X-Class flares and 8 CMEs during its passage from the front disk of the Sun. This SAR had anti-Hale and delta-spot magnetic configuration and many sub-regions of magnetic flux emergence. With the aid of multi-wavelength observations of the Solar Dynamics Observatory (SDO), the Solar Terrestrial Relations Observatory (STEREO) and nonlinear force-free model for the magnetic field in the solar corona, we found the existence of many magnetic flux structures (flux bundles) in the corona of the AR. The energy released by these co-existing flux bundles within short time, resulted in compound erutpions from the AR on March 9 and 10, 2012. In the period of 38 hours, after the CME eruption on March 9, the continuous shearing and cancellation and new magnetic flux emergence resulted in another CME on March 10. Both of the events showed the compound nature and the similarity of the foot-points and EUV dimming made these eruptions homologous.

  14. Profiling and quantification of phenolic compounds in Camellia seed oils: Natural tea polyphenols in vegetable oil.

    PubMed

    Wang, Xiaoqin; Zeng, Qiumei; Del Mar Contreras, María; Wang, Lijuan

    2017-12-01

    In Asia, tea seed oils (seed oils from Camellia oleifera, C. chekiangoleosa, and C. sinensis) are used in edible, medicinal, and cosmetic applications. However, these oils differ in their fatty acid contents, and there is little known about their phenolic compounds. Here we analyzed the phenolic compounds of seed oils from three species gathered from 15 regions of China. Twenty-four phenolic compounds were characterized by HPLC-Q-TOF-MS, including benzoic acids (6), cinnamic acids (6), a hydroxyphenylacetic acid, flavanols (4), flavonols (3), flavones (2), and dihydroflavonoids (2). Some of these phenolic compounds had not previously been reported from C. sinensis (20), C. oleifera (15), and C. chekiangoleosa (24) seed oils. Quantification was done by HPLC-QqQ-MS using 24 chemical standards. The total concentrations in the studied samples ranged from 20.56 to 88.56μg/g. Phenolic acids were the most abundant class, accounting for 76.2-90.4%, with benzoic acid, found at up to 18.87μg/g. The concentration of catechins, typical of tea polyphenols, ranged between 2.1% and 9.7%, while the other flavonoids varied from 4.2% to 17.8%. Although the cultivation region affected the phenolic composition of the Camellia seed oils, in our hierarchical clustering analysis, the samples clustered according to species. The phenolic composition of the seed oils from C. oleifera and C. chekiangoelosa were similar. We found that the phenolic categories in Camellia seed oils were similar to tea polyphenols, thereby identifying a source of liposoluble tea polyphenols and potentially accounting for some of the reported activities of these oils. In addition, this work provides basic data that allows distinction of various Camellia seed oils, as well as improvements to be made in their quality standards. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Nitrogen oxides in the arctic stratosphere: Implications for ozone abundances. Ph.D. Thesis

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Slusser, J.R.

    1994-01-01

    In the high latitude winter stratosphere, NO2 sequesters chlorine compounds which are extremely efficient at destroying ozone. During the nighttime, NO2 reacts with ozone to form N2O5 which acts as a reservoir of NO2. Under heavy aerosol loading, N2O5 may react with water on aerosol surfaces to form HNO3, a reservoir more resistant to photolysis. This heterogeneous reaction results in reduced NO2 concentration when the sun returns at the end of the winter. A spectrograph system has been developed to measure scattered zenith skylight and thereby determine stratospheric NO2 slant column abundance. Conversion of the measured slant column abundance tomore » vertical column abundance requires dividing by the air mass. The air mass is the enhancement in the optical path for the scattered twilight as compared to a vertical path. Air mass values determined using a multiple scattering radiative transfer code have been compared to those derived using a Monte Carlo code and were found to agree to within 6% at a 90 deg solar zenith angle for a stratospheric absorber. Six months of NO2 vertical column abundance measured over Fairbanks during the winter 1992-93 exhibited the daylight diminished and increased as the sunlight hours lengthened. The overall seasonal behavior was similar to high-latitude measurements made in the Southern Hemisphere. The ratios of morning to evening column abundance were consistent with predictions based on gas-phase chemistry. The possible heterogeneous reaction of N2O5 on sulfate aerosols was investigated using FTIR Spectrometer measurements of HNO3 column abundance and lidar determinations of the aerosol profile. Using an estimated N2O5 column abundance and aerosol profile as input to a simple model, significant HNO3 production was expected. No increase in HNO3 column abundance was measured. From this set of data, it was not possible to determine whether significant amounts of N2O5 were converted to HNO3 by this heterogeneous reaction.« less

  16. Inorganic and methane clathrates: Versatility of guest–host compounds for energy harvesting

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Krishna, Lakshmi; Koh, Carolyn A.

    ABSTRACT This review article evaluates the structure–property relations of inorganic clathrates and clathrate hydrates and their potential role in energy harvesting. There is potential cross-fertilization between the two research areas. Guest–host clathrate compounds exhibit unique structural and physical properties, which lead to their versatile roles in energy applications. Prominent classes of clathrate compounds are gas hydrates and inorganic clathrates. That said, there is limited cross-fertilization between the clathrate hydrate and inorganic clathrate communities, with researchers in the respective fields being less informed on the other field. Yet the structures and unique guest–host interactions in both these compounds are common importantmore » features of these clathrates. Common features and procedures can inspire and inform development between the compound classes, which may be important to the technological advancements for the different clathrate materials, e.g., structure characterization techniques and guest–host dynamics in which the “guest” tends to be imprisoned in the host structure, until external forces are applied. Conversely, the diversity in chemical compositions of these two classes of materials leads to the different applications from methane capture and storage to converting waste heat to electricity (thermoelectrics). This article highlights the structural and physical similarities and differences of inorganic and methane clathrates. The most promising state-of-the-art applications of the clathrates are highlighted for harvesting energy from methane (clathrate) hydrate deposits under the ocean and for inorganic clathrates as promising thermoelectric materials.« less

  17. Inorganic and methane clathrates: Versatility of guest–host compounds for energy harvesting

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Krishna, Lakshmi; Koh, Carolyn A.

    2015-01-01

    ABSTRACT This review article evaluates the structure–property relations of inorganic clathrates and clathrate hydrates and their potential role in energy harvesting. There is potential cross-fertilization between the two research areas. Guest–host clathrate compounds exhibit unique structural and physical properties, which lead to their versatile roles in energy applications. Prominent classes of clathrate compounds are gas hydrates and inorganic clathrates. That said, there is limited cross-fertilization between the clathrate hydrate and inorganic clathrate communities, with researchers in the respective fields being less informed on the other field. Yet the structures and unique guest–host interactions in both these compounds are common importantmore » features of these clathrates. Common features and procedures can inspire and inform development between the compound classes, which may be important to the technological advancements for the different clathrate materials, e.g., structure characterization techniques and guest–host dynamics in which the “guest” tends to be imprisoned in the host structure, until external forces are applied. Conversely, the diversity in chemical compositions of these two classes of materials leads to the different applications from methane capture and storage to converting waste heat to electricity (thermoelectrics). This article highlights the structural and physical similarities and differences of inorganic and methane clathrates. The most promising state-of-the-art applications of the clathrates are highlighted for harvesting energy from methane (clathrate) hydrate deposits under the ocean and for inorganic clathrates as promising thermoelectric materials.« less

  18. Oxygen abundances in halo stars

    NASA Astrophysics Data System (ADS)

    Bessell, Michael S.; Sutherland, Ralph S.; Ruan, Kui

    1991-12-01

    The present study determines the oxygen abundance for a sample of metal-poor G dwarfs by analysis of OH lines between 3080 and 3200 A and the permitted high-excitation far-red O I triple. The oxygen abundances determined from the low-excitation OH lines are up to 0.55 dex lower than those measured from the high-excitation O I lines. The abundances for the far-red O I triplet lines agree with those rederived from Abia and Rebolo (1989), and the abundances from the OH lines in dwarfs and giants are in agreement with the rederived O abundances of Barbuy (1988) and others from the forbidden resonance O I line. Because the chi = 0.1.7 eV OH lines are formed in the same layers as the majority of Fe, Ti, and other neutral metal lines used for abundance analyses, it is argued that the OH lines and the forbidden O I line yield the true oxygen abundances relative to the metals.

  19. Lindley frailty model for a class of compound Poisson processes

    NASA Astrophysics Data System (ADS)

    Kadilar, Gamze Özel; Ata, Nihal

    2013-10-01

    The Lindley distribution gain importance in survival analysis for the similarity of exponential distribution and allowance for the different shapes of hazard function. Frailty models provide an alternative to proportional hazards model where misspecified or omitted covariates are described by an unobservable random variable. Despite of the distribution of the frailty is generally assumed to be continuous, it is appropriate to consider discrete frailty distributions In some circumstances. In this paper, frailty models with discrete compound Poisson process for the Lindley distributed failure time are introduced. Survival functions are derived and maximum likelihood estimation procedures for the parameters are studied. Then, the fit of the models to the earthquake data set of Turkey are examined.

  20. Promiscuous Actions of Small Molecule Inhibitors of the Protein Kinase D-Class IIa HDAC Axis in Striated Muscle

    PubMed Central

    Lemon, Douglas D.; Harrison, Brooke C.; Horn, Todd R.; Stratton, Matthew S.; Ferguson, Bradley S.; Wempe, Michael F.; McKinsey, Timothy A.

    2015-01-01

    PKD-mediated phosphorylation of class IIa HDACs frees the MEF2 transcription factor to activate genes that govern muscle differentiation and growth. Studies of the regulation and function of this signaling axis have involved MC1568 and Gö-6976, which are small molecule inhibitors of class IIa HDAC and PKD catalytic activity, respectively. We describe unanticipated effects of these compounds. MC1568 failed to inhibit class IIa HDAC catalytic activity in vitro, and exerted divergent effects on skeletal muscle differentiation compared to a bona fide inhibitor of these HDACs. In cardiomyocytes, Gö-6976 triggered calcium signaling and activated stress-inducible kinases. Based on these findings, caution is warranted when employing MC1568 and Gö-6976 as pharmacological tool compounds to assess functions of class IIa HDACs and PKD. PMID:25816750

  1. Neural network recognition of chemical class information in mobility spectra obtained at high temperatures

    NASA Technical Reports Server (NTRS)

    Bell, S.; Nazarov, E.; Wang, Y. F.; Rodriguez, J. E.; Eiceman, G. A.

    2000-01-01

    A minimal neural network was applied to a large library of high-temperature mobility spectra drawn from 16 chemical classes including 154 substances with 2000 spectra at various concentrations. A genetic algorithm was used to create a representative subset of points from the mobility spectrum as input to a cascade-type back-propagation network. This network demonstrated that significant information specific to chemical class was located in the spectral region near the reactant ions. This network failed to generalize the solution to unfamiliar compounds necessitating the use of complete spectra in network processing. An extended back-propagation network classified unfamiliar chemicals by functional group with a mean for average values of 0.83 without sulfides and 0.79 with sulfides. Further experiments confirmed that chemical class information was resident in the spectral region near the reactant ions. Deconvolution of spectra demonstrated the presence of ions, merged with the reactant ion peaks that originated from introduced samples. The ability of the neural network to generalize the solution to unfamiliar compounds suggests that these ions are distinct and class specific.

  2. Inorganic and organic fertilizers impact the abundance and proportion of antibiotic resistance and integron-integrase genes in agricultural grassland soil.

    PubMed

    Nõlvak, Hiie; Truu, Marika; Kanger, Kärt; Tampere, Mailiis; Espenberg, Mikk; Loit, Evelin; Raave, Henn; Truu, Jaak

    2016-08-15

    Soil fertilization with animal manure or its digestate may facilitate an important antibiotic resistance dissemination route from anthropogenic sources to the environment. This study examines the effect of mineral fertilizer (NH4NO3), cattle slurry and cattle slurry digestate amendment on the abundance and proportion dynamics of five antibiotic resistance genes (ARGs) and two classes of integron-integrase genes (intI1 and intI2) in agricultural grassland soil. Fertilization was performed thrice throughout one vegetation period. The targeted ARGs (sul1, tetA, blaCTX-M, blaOXA2 and qnrS) encode resistance to several major antibiotic classes used in veterinary medicine such as sulfonamides, tetracycline, cephalosporins, penicillin and fluoroquinolones, respectively. The non-fertilized grassland soil contained a stable background of tetA, blaCTX-M and sul1 genes. The type of applied fertilizer significantly affected ARGs and integron-integrase genes abundances and proportions in the bacterial community (p<0.001 in both cases), explaining 67.04% of the abundance and 42.95% of the proportion variations in the grassland soil. Both cattle slurry and cattle slurry digestate proved to be considerable sources of ARGs, especially sul1, as well as integron-integrases. Sul1, intI1 and intI2 levels in grassland soil were elevated in response to each organic fertilizer's application event, but this increase was followed by a stage of decrease, suggesting that microbes possessing these genes were predominantly entrained into soil via cattle slurry or its digestate application and had somewhat limited survival potential in a soil environment. However, the abundance of these three target genes did not decrease to a background level by the end of the study period. TetA was most abundant in mineral fertilizer treated soil and blaCTX-M in cattle slurry digestate amended soil. Despite significantly different abundances, the abundance dynamics of bacteria possessing these genes were

  3. SDE and SPME Analysis of Flavor Compounds in Jin Xuan Oolong Tea.

    PubMed

    Sheibani, Ershad; Duncan, Susan E; Kuhn, David D; Dietrich, Andrea M; O'Keefe, Sean F

    2016-02-01

    Simultaneous distillation-extraction (SDE) and solid phase micro extraction (SPME) are procedures used for the isolation of flavor compounds in foods. The purpose of this study was to optimize SDE conditions (solvent and time) and to compare SDE with SPME for the isolation of flavor compounds in Jin Xuan oolong tea using GC-MS and GC-O. The concentration of volatile compounds isolated with diethyl ether was higher (P < 0.05) than for dichloromethane and concentration was higher at 40 min (P < 0.05) than 20 or 60 min extractions. For SDE, 128 volatiles were identified using GC-MS and 45 aroma active compounds using GC-O. Trans-nerolidol was the most abundant compound in oolong tea. The number of volatiles identified using GC-MS was lower in SPME than SDE. For SPME, 59 volatiles and 41 aroma active compounds were identified. The composition of the volatiles isolated by the 2 methods differed considerably but provided complementary information. © 2016 Institute of Food Technologists®

  4. IRIS TOXICOLOGICAL REVIEW AND SUMMARY DOCUMENTS FOR CERIUM OXIDE (STABLE) AND COMPOUNDS

    EPA Science Inventory

    Cerium is a member of the lanthanoid series of rare earth metals. It is also the most abundant and most reactive of the rare earth metals. Cerium oxidizes at room temperature and forms a variety of salt compounds including oxides, hydroxides, sulfates and chlorides. Cerium is ...

  5. Stellar Oxygen Abundances

    NASA Astrophysics Data System (ADS)

    King, Jeremy

    1994-04-01

    This dissertation addresses several issues concerning stellar oxygen abundances. The 7774 {\\AA} O I triplet equivalent widths of Abia & Rebolo [1989, AJ, 347, 186] for metal-poor dwarfs are found to be systematically too high. I also argue that current effective temperatures used in halo star abundance studies may be ~150 K too low. New color-Teff relations are derived for metal-poor stars. Using the revised Teff values and improved equivalent widths for the 7774A O I triplet, the mean [O/Fe] ratio for a handful of halo stars is found to be +0.52 with no dependence on Teff or [Fe/H]. Possible cosmological implications of the hotter Teff scale are discussed along with additional evidence supporting the need for a higher temperature scale for metal-poor stars. Our Teff scale leads to a Spite Li plateau value of N(Li)=2.28 +/- 0.09. A conservative minimal primordial value of N(Li)=2.35 is inferred. If errors in the observations and models are considered, consistency with standard models of Big Bang nucleosynthesis is still achieved with this larger Li abundance. The revised Teff scale raises the observed B/Be ratio of HD 140283 from 10 to 12, making its value more comfortably consistent with the production of the observed B and Be by ordinary spallation. Our Teff values are found to be in good agreement with values predicted from both the Victoria and Yale isochrone color-Teff relations. Thus, it appears likely that no changes in globular cluster ages would result. Next, we examine the location of the break in the [O/Fe] versus [Fe/H] plane in a quantitative fashion. Analysis of a relatively homogeneous data set does not favor any unique break point in the range -1.7 /= -3), in agreement with the new results for halo dwarfs. We find that the gap in the observed [O/H] distribution, noted by Wheeler et al

  6. Social class, solipsism, and contextualism: how the rich are different from the poor.

    PubMed

    Kraus, Michael W; Piff, Paul K; Mendoza-Denton, Rodolfo; Rheinschmidt, Michelle L; Keltner, Dacher

    2012-07-01

    Social class is shaped by an individual's material resources as well as perceptions of rank vis-à-vis others in society, and in this article, we examine how class influences behavior. Diminished resources and lower rank create contexts that constrain social outcomes for lower-class individuals and enhance contextualist tendencies--that is, a focus on external, uncontrollable social forces and other individuals who influence one's life outcomes. In contrast, abundant resources and elevated rank create contexts that enhance the personal freedoms of upper-class individuals and give rise to solipsistic social cognitive tendencies--that is, an individualistic focus on one's own internal states, goals, motivations, and emotions. Guided by this framework, we detail 9 hypotheses and relevant empirical evidence concerning how class-based contextualist and solipsistic tendencies shape the self, perceptions of the social environment, and relationships to other individuals. Novel predictions and implications for research in other socio-political contexts are considered. Copyright 2012 APA, all rights reserved.

  7. Deposit formation in liquid fuels. II - The effect of selected compounds on the storage stability of Jet A turbine fuel

    NASA Technical Reports Server (NTRS)

    Worstell, J. H.; Daniel, S. R.

    1981-01-01

    The influence of substituted pyridines, pyrroles, indoles, and quinolines on the storage stability of conventional Jet A turbine fuel is evaluated. Significant increases in the amount of deposit formed in accelerated storage tests are found upon addition of these compounds at levels as low as one ppm nitrogen. While the effect is correlated with basicity of the nitrogen compound within a given compound class, the correlation does not hold between classes (pyridines, quinolines, etc.). Steric hindrance at the nitrogen atom greatly inhibits deposit promotion. The characteristics, but not the elemental composition, of deposits vary with the identity of the added nitrogen compound and with deposition temperature.

  8. A Framework for Inferring Taxonomic Class of Asteroids.

    NASA Technical Reports Server (NTRS)

    Dotson, J. L.; Mathias, D. L.

    2017-01-01

    Introduction: Taxonomic classification of asteroids based on their visible / near-infrared spectra or multi band photometry has proven to be a useful tool to infer other properties about asteroids. Meteorite analogs have been identified for several taxonomic classes, permitting detailed inference about asteroid composition. Trends have been identified between taxonomy and measured asteroid density. Thanks to NEOWise (Near-Earth-Object Wide-field Infrared Survey Explorer) and Spitzer (Spitzer Space Telescope), approximately twice as many asteroids have measured albedos than the number with taxonomic classifications. (If one only considers spectroscopically determined classifications, the ratio is greater than 40.) We present a Bayesian framework that provides probabilistic estimates of the taxonomic class of an asteroid based on its albedo. Although probabilistic estimates of taxonomic classes are not a replacement for spectroscopic or photometric determinations, they can be a useful tool for identifying objects for further study or for asteroid threat assessment models. Inputs and Framework: The framework relies upon two inputs: the expected fraction of each taxonomic class in the population and the albedo distribution of each class. Luckily, numerous authors have addressed both of these questions. For example, the taxonomic distribution by number, surface area and mass of the main belt has been estimated and a diameter limited estimate of fractional abundances of the near earth asteroid population was made. Similarly, the albedo distributions for taxonomic classes have been estimated for the combined main belt and NEA (Near Earth Asteroid) populations in different taxonomic systems and for the NEA population specifically. The framework utilizes a Bayesian inference appropriate for categorical data. The population fractions provide the prior while the albedo distributions allow calculation of the likelihood an albedo measurement is consistent with a given taxonomic

  9. Significance of microhabitat heterogeneity in the spatial pattern and size-class structure of Anastatica hierochuntica L.

    NASA Astrophysics Data System (ADS)

    Hegazy, Ahmad K.; Kabiel, Hanan F.

    2007-05-01

    Anastatica hierochuntica L. (Brassicaceae) is a desert monocarpic annual species characterized by a topochory/ombrohydrochory type of seed dispersal. The hygrochastic nature of the dry skeletons (dead individuals) permits controlling seed dispersal by rain events. The amount of dispersed seeds is proportional to the intensity of rainfall. When light showers occur, seeds are released and remain in the site. Seeds dispersed in the vicinity of the mother or source plant (primary type of seed dispersal) resulted in clumped pattern and complicated interrelationships among size-classes of the population. Following heavy rainfall, most seeds are released and transported into small patches and shallow depressions which collect runoff water. The dead A. hierochuntica skeletons demonstrate site-dependent size-class structure, spatial pattern and spatial interrelationships in different microhabitats. Four microhabitat types have been sampled: runnels, patches and simple and compound depressions in two sites (gravel and sand). Ripley's K-function was used to analyze the spatial pattern in populations of A. hierochuntica skeletons in the study microhabitats. Clumped patterns were observed in nearly all of the study microhabitats. Populations of A. hierochuntica in the sand site were more productive than in the gravel site and usually had more individuals in the larger size-classes. In the compound-depression microhabitat, the degree of clumping decreased from the core zone to the intermediate zone then shifted into overdispersed pattern in the outer zone. At the within size-class level, the clumped pattern dominated in small size classes but shifted into random and overdispersed patterns in the larger size classes. Aggregation between small and large size-classes was not well-defined but large individuals were found closer to the smaller individuals than to those of their own class. In relation to the phytomass and the size-class structure, the outer zone of the simple

  10. Abundance and distribution of microplastics within surface sediments of a key shellfish growing region of Canada.

    PubMed

    Kazmiruk, T N; Kazmiruk, V D; Bendell, L I

    2018-01-01

    The abundance and distribution of microplastics within 5 sediment size classes (>5000 μm, 1000-5000 μm, 250-1000 μm, 250-0.63 μm and < 0.63 μm) were determined for 16 sites within Lambert Channel and Baynes Sound, British Columbia, Canada. This region is Canada's premier growing area for the Pacific oyster (Crassostrea gigas). Microplastics were found at all sampling locations indicating widespread contamination of this region with these particles. Three types of microplastics were recovered: microbeads, which occurred in the greatest number (up to 25000/kg dry sediment) and microfibers and microfragments, which were much less in number compared with microbeads and occurred in similar amounts (100-300/kg dry sediment). Microbeads were recovered primarily in the < 0.63 μm and 250-0.63 μm sediment size class, whereas microfragments and microfibers were generally identified in all 5 sediment size classes. Abundance and distribution of the three types of microplastics were spatially dependent with principal component analysis (PCA) indicating that 84 percent of the variation in abundance and distribution was due to the presence of high numbers of microbeads at three locations within the study region. At these sites, microbeads expressed as a percent component of the sediment by weight was similar to key geochemical components that govern trace metal behavior and availability to benthic organisms. Microbeads have been shown to accumulate metals from the aquatic environment, hence in addition to the traditional geochemical components such as silt and organic matter, microplastics also need to be considered as a sediment component that can influence trace metal geochemistry. Our findings have shown that BC's premier oyster growing region is highly contaminated with microplastics, notably microbeads. It would be prudent to assess the degree to which oysters from this region are ingesting microplastics. If so, it would have direct implications for Canada's oyster

  11. Abundances of carbon-enhanced metal-poor stars as constraints on their formation

    NASA Astrophysics Data System (ADS)

    Hansen, C. J.; Nordström, B.; Hansen, T. T.; Kennedy, C. R.; Placco, V. M.; Beers, T. C.; Andersen, J.; Cescutti, G.; Chiappini, C.

    2016-04-01

    Context. An increasing fraction of carbon-enhanced metal-poor (CEMP) stars is found as their iron abundance, [Fe/H], decreases below [Fe/H] =-2.0. The CEMP-s stars have the highest absolute carbon abundances, [C/H], and are thought to owe their enrichment in carbon and the slow neutron-capture (s-process) elements to mass transfer from a former asymptotic giant branch (AGB) binary companion. The most Fe-poor CEMP stars are normally single, exhibit somewhat lower [C/H] than CEMP-s stars, but show no s-process element enhancement (CEMP-no stars). Abundance determinations of CNO offer clues to their formation sites. Aims: Our aim is to use the medium-resolution spectrograph X-Shooter/VLT to determine stellar parameters and abundances for C, N, Sr, and Ba in several classes of CEMP stars in order to further classify and constrain the astrophysical formation sites of these stars. Methods: Atmospheric parameters for our programme stars were estimated from a combination of V-K photometry, model isochrone fits, and estimates from a modified version of the SDSS/SEGUE spectroscopic pipeline. We then used X-Shooter spectra in conjunction with the 1D local thermodynamic equilibrium spectrum synthesis code MOOG, 1D ATLAS9 atmosphere models to derive stellar abundances, and, where possible, isotopic 12C/13C ratios. Results: Abundances (or limits) of C, N, Sr, and Ba are derived for a sample of 27 faint metal-poor stars for which the X-Shooter spectra have sufficient signal-to-noise ratios (S/N). These moderate resolution, low S/N (~10-40) spectra prove sufficient to perform limited chemical tagging and enable assignment of these stars into the CEMP subclasses (CEMP-s and CEMP-no). According to the derived abundances, 17 of our sample stars are CEMP-s and 3 are CEMP-no, while the remaining 7 are carbon-normal. For four CEMP stars, the subclassification remains uncertain, and two of them may be pulsating AGB stars. Conclusions: The derived stellar abundances trace the formation

  12. Temporal Variation in Black Sea Bass (Centropristis striata) Abundance in the Maryland Coastal Bays

    NASA Astrophysics Data System (ADS)

    Peters, R.; Chigbu, P.

    2016-02-01

    Black sea bass (Centropristis striata) is a warm temperate species associated with structured habitats along the Atlantic Coast of the United States. Currently, the northern stock is considered data poor, and the lack of information about the abundance and ecology of these fish in estuaries is a major concern. The Maryland Coastal Bays (MCBs) serves as a habitat for 0+ and 1+ black sea bass. The Maryland Department of Natural Resources conducts annual surveys of juvenile finfish including black sea bass in the MCBs from April to October. Highest mean Catch-Per-Unit efforts (CPUE) were in sites 7 (Isle of Wight Bay), 9 (Sinepuxent Bay), and 20 (Chincoteague Bay), which are also sites closet to the Ocean City and Chincoteague Inlets. Length frequency distribution from data collected from 1989-2013 in these trawls show that there are two year classes in the MCBs. Juveniles (1+) began to enter the bays in April, and (YoY) 0+ fish were caught in the trawls beginning in June. Juvenile abundance peaked in July, while 0+ abundance peaked in September. The abundance of both 0+ and 1+ fish varied over the years with abundances peaking in the same years. YoY black sea bass abundance was positively correlated (r2=0.22, p≤0.05) with average salinity each year and negatively correlated (r2=0.15, p≤0.05) with average NAO winter index. The negative NAO winter years could cause the increase in salinity, which could favor high recruitment. This could be caused by the warmer winters increasing rainfall and reducing salinity during that time. However, abundance of YoY was low in the MCBs, which could be from the trawl gear used to sample the structure oriented fish, and therefore could be a source of bias in this study. Nevertheless, other studies have also used trawls to assess distribution and trends of YoY black sea bass. Studies using traps to assess the relative abundance of the fish in the MCBs are ongoing, and could provide more insight into climatic factors affecting

  13. Composition of semi-volatile organic compounds in the urban atmosphere of Singapore: influence of biomass burning

    NASA Astrophysics Data System (ADS)

    He, J.; Zielinska, B.; Balasubramanian, R.

    2010-12-01

    An intensive field study was conducted in the urban atmosphere of Singapore to investigate the composition of organic compounds in both gaseous and particulate phases during the period of August to early November 2006. 17 atmospheric samples were collected. These samples were subjected to accelerated solvent extraction with a mixture of dichloromethane and acetone and separated into functional group fractions for analyses by GC/MS. Over 180 organic compounds belonging to three major fractions (n-alkanes, polycyclic aromatic hydrocarbons - PAHs, and polar organic compounds - POCs) were identified and quantified. The characteristics and abundance of the n-alkanes, PAHs, mono and dicarboxylic acids, methoxylated phenols and other POCs were determined. The composition of these organic compounds fluctuated temporally with most of them being relatively higher in October than those in other months of the sampling period. 3-D backward air mass trajectory analyses together with the carbon preference index (CPI), molecular diagnostic ratios and molecular markers were used to investigate the origin of organic species measured in this study. Based on these diagnostic tools, the increased abundance of atmospheric organic species during October could be attributed to the occurrence of regional smoke haze episodes due to biomass burning in Indonesia. Among the POCs investigated, phthalic acid and cis-pinonic acid were abundant during October 2006. These two acids showed strong linear relationships with maximum daily ozone concentrations throughout the entire sampling period. This correlation with ozone suggested that the secondary aerosol constituents such as phthalic and cis-pinonic acids were probably formed through O3-induced photochemical transformation.

  14. Interallelic class switch recombination contributes significantly to class switching in mouse B cells.

    PubMed

    Reynaud, Stéphane; Delpy, Laurent; Fleury, Laurence; Dougier, Hei-Lanne; Sirac, Christophe; Cogné, Michel

    2005-05-15

    Except for the expression of IgM and IgD, DNA recombination is constantly needed for the expression of other Ig classes and subclasses. The predominant path of class switch recombination (CSR) is intrachromosomal, and the looping-out and deletion model has been abundantly documented. However, switch regions also occasionally constitute convenient substrates for interchromosomal recombination, since it is noticeably the case in a number of chromosomal translocations causing oncogene deregulation in the course of lymphoma and myeloma. Although asymmetric accessibility of Ig alleles should theoretically limit its occurrence, interallelic CSR was shown to occur at low levels during IgA switching in rabbit, where the definition of allotypes within both V and C regions helped identify interchromosomally derived Ig. Thus, we wished to evaluate precisely interallelic CSR frequency in mouse B cells, by using a system in which only one allele (of b allotype) could express a functional VDJ region, whereas only interallelic CSR could restore expression of an excluded (a allotype) allele. In our study, we show that interchromosomal recombination of V(H) and Cgamma or Calpha occurs in vivo in B cells at a frequency that makes a significant contribution to physiological class switching: trans-association of V(H) and C(H) genes accounted for 7% of all alpha mRNA, and this frequency was about twice higher for the gamma3 transcripts, despite the much shorter distance between the J(H) region and the Cgamma3 gene, thus confirming that this phenomenon corresponded to site-specific switching and not to random recombination between long homologous loci.

  15. Investigation of the Anti-Prostate Cancer Properties of Marine-Derived Compounds

    PubMed Central

    Fan, Meiqi; Nath, Amit Kumar; Tang, Yujiao; Choi, Young-Jin; Debnath, Trishna; Choi, Eun-Ju

    2018-01-01

    This review focuses on marine compounds with anti-prostate cancer properties. Marine species are unique and have great potential for the discovery of anticancer drugs. Marine sources are taxonomically diverse and include bacteria, cyanobacteria, fungi, algae, and mangroves. Marine-derived compounds, including nucleotides, amides, quinones, polyethers, and peptides are biologically active compounds isolated from marine organisms such as sponges, ascidians, gorgonians, soft corals, and bryozoans, including those mentioned above. Several compound classes such as macrolides and alkaloids include drugs with anti-cancer mechanisms, such as antioxidants, anti-angiogenics, antiproliferatives, and apoptosis-inducing drugs. Despite the diversity of marine species, most marine-derived bioactive compounds have not yet been evaluated. Our objective is to explore marine compounds to identify new treatment strategies for prostate cancer. This review discusses chemically and pharmacologically diverse marine natural compounds and their sources in the context of prostate cancer drug treatment. PMID:29757237

  16. An overview of methods using (13)C for improved compound identification in metabolomics and natural products.

    PubMed

    Clendinen, Chaevien S; Stupp, Gregory S; Ajredini, Ramadan; Lee-McMullen, Brittany; Beecher, Chris; Edison, Arthur S

    2015-01-01

    Compound identification is a major bottleneck in metabolomics studies. In nuclear magnetic resonance (NMR) investigations, resonance overlap often hinders unambiguous database matching or de novo compound identification. In liquid chromatography-mass spectrometry (LC-MS), discriminating between biological signals and background artifacts and reliable determination of molecular formulae are not always straightforward. We have designed and implemented several NMR and LC-MS approaches that utilize (13)C, either enriched or at natural abundance, in metabolomics applications. For LC-MS applications, we describe a technique called isotopic ratio outlier analysis (IROA), which utilizes samples that are isotopically labeled with 5% (test) and 95% (control) (13)C. This labeling strategy leads to characteristic isotopic patterns that allow the differentiation of biological signals from artifacts and yield the exact number of carbons, significantly reducing possible molecular formulae. The relative abundance between the test and control samples for every IROA feature can be determined simply by integrating the peaks that arise from the 5 and 95% channels. For NMR applications, we describe two (13)C-based approaches. For samples at natural abundance, we have developed a workflow to obtain (13)C-(13)C and (13)C-(1)H statistical correlations using 1D (13)C and (1)H NMR spectra. For samples that can be isotopically labeled, we describe another NMR approach to obtain direct (13)C-(13)C spectroscopic correlations. These methods both provide extensive information about the carbon framework of compounds in the mixture for either database matching or de novo compound identification. We also discuss strategies in which (13)C NMR can be used to identify unknown compounds from IROA experiments. By combining technologies with the same samples, we can identify important biomarkers and corresponding metabolites of interest.

  17. Abscisic Acid-Dependent and -Independent Expression of the Carrot Late-Embryogenesis-Abundant-Class Gene Dc3 in Transgenic Tobacco Seedlings1

    PubMed Central

    Siddiqui, Najeeb U.; Chung, Hwa-Jee; Thomas, Terry L.; Drew, Malcolm C.

    1998-01-01

    We studied the expression of three promoter 5′ deletion constructs (−218, −599, and −1312) of the LEA (late embryogenesis abundant)-class gene Dc3 fused to β-glucuronidase (GUS), where each construct value refers to the number of base pairs upstream of the transcription start site at which the deletion occurred. The Dc3 gene is noted for its induction by abscisic acid (ABA), but its response to other plant hormones and various environmental stresses has not been reported previously for vegetative cells. Fourteen-day-old transgenic tobacco (Nicotiana tabacum L.) seedlings were exposed to dehydration, hypoxia, salinity, exogenous ethylene, or exogenous methyl jasmonate (MeJa). GUS activity was quantified fluorimetrically and expression was observed by histochemical staining of the seedlings. An increase in GUS activity was observed in plants with constructs −599 and −1312 in response to dehydration and salinity within 6 h of stress, and at 12 h in response to hypoxia. No increase in endogenous ABA was found in any of the three lines, even after 72 h of hypoxia. An ABA-independent increase in GUS activity was observed when endogenous ABA biosynthesis was blocked by fluridone and plants were exposed to 5 μL L−1 ethylene in air or 100 μm MeJa. Virtually no expression was observed in construct −218 in response to dehydration, salinity, or MeJa, but there was a moderate response to ethylene and hypoxia. This suggests that the region between −218 and −599 is necessary for ABA (dehydration and salinity)- and MeJa-dependent expression, whereas ethylene-mediated expression does not require this region of the promoter. PMID:9847092

  18. Identification of the functional binding pocket for compounds targeting small-conductance Ca²⁺-activated potassium channels.

    PubMed

    Zhang, Miao; Pascal, John M; Schumann, Marcel; Armen, Roger S; Zhang, Ji-Fang

    2012-01-01

    Small- and intermediate-conductance Ca(2+)-activated potassium channels, activated by Ca(2+)-bound calmodulin, have an important role in regulating membrane excitability. These channels are also linked to clinical abnormalities. A tremendous amount of effort has been devoted to developing small molecule compounds targeting these channels. However, these compounds often suffer from low potency and lack of selectivity, hindering their potential for clinical use. A key contributing factor is the lack of knowledge of the binding site(s) for these compounds. Here we demonstrate by X-ray crystallography that the binding pocket for the compounds of the 1-ethyl-2-benzimidazolinone (1-EBIO) class is located at the calmodulin-channel interface. We show that, based on structure data and molecular docking, mutations of the channel can effectively change the potency of these compounds. Our results provide insight into the molecular nature of the binding pocket and its contribution to the potency and selectivity of the compounds of the 1-EBIO class.

  19. Enantiomeric and Isotopic Analysis of Organic Compounds in Carbonaceous Meteorites

    NASA Technical Reports Server (NTRS)

    Cooper, George

    2004-01-01

    Carbonaceous meteorites are relatively enriched in soluble organic compounds. The Murchison and Murray meteorites contain numerous compounds of interest in the study of early solar system organic chemistry and organic compounds of potential importance for the origin of life. These include: amino acids, amides, carboxylic acids, and polyols. This talk will focus on the enantiomeric and isotopic analysis of individual meteoritic compounds - primarily polyol acids. The analyses will determine if, in addition to certain amino acids from Murchison, another potentially important class of prebiotic compounds also contains enantiomeric excesses, i.e., excesses that could have contributed to the current homochirality of life. Preliminary enantiomeric and isotopic (C- 13) measurements of Murchison glyceric acid show that it is indeed extraterrestrial. C-13 and D isotope analysis of meteoritic sugar alcohols (glycerol, threitol, ribitol, etc.) has shown that they are also indigenous to the meteorite.

  20. OXYGEN ABUNDANCES IN CEPHEIDS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Luck, R. E.; Andrievsky, S. M.; Korotin, S. N.

    2013-07-01

    Oxygen abundances in later-type stars, and intermediate-mass stars in particular, are usually determined from the [O I] line at 630.0 nm, and to a lesser extent, from the O I triplet at 615.7 nm. The near-IR triplets at 777.4 nm and 844.6 nm are strong in these stars and generally do not suffer from severe blending with other species. However, these latter two triplets suffer from strong non-local thermodynamic equilibrium (NLTE) effects and thus see limited use in abundance analyses. In this paper, we derive oxygen abundances in a large sample of Cepheids using the near-IR triplets from an NLTEmore » analysis, and compare those abundances to values derived from a local thermodynamic equilibrium (LTE) analysis of the [O I] 630.0 nm line and the O I 615.7 nm triplet as well as LTE abundances for the 777.4 nm triplet. All of these lines suffer from line strength problems making them sensitive to either measurement complications (weak lines) or to line saturation difficulties (strong lines). Upon this realization, the LTE results for the [O I] lines and the O I 615.7 nm triplet are in adequate agreement with the abundance from the NLTE analysis of the near-IR triplets.« less

  1. Reverse bifurcation and fractal of the compound logistic map

    NASA Astrophysics Data System (ADS)

    Wang, Xingyuan; Liang, Qingyong

    2008-07-01

    The nature of the fixed points of the compound logistic map is researched and the boundary equation of the first bifurcation of the map in the parameter space is given out. Using the quantitative criterion and rule of chaotic system, the paper reveal the general features of the compound logistic map transforming from regularity to chaos, the following conclusions are shown: (1) chaotic patterns of the map may emerge out of double-periodic bifurcation and (2) the chaotic crisis phenomena and the reverse bifurcation are found. At the same time, we analyze the orbit of critical point of the compound logistic map and put forward the definition of Mandelbrot-Julia set of compound logistic map. We generalize the Welstead and Cromer's periodic scanning technology and using this technology construct a series of Mandelbrot-Julia sets of compound logistic map. We investigate the symmetry of Mandelbrot-Julia set and study the topological inflexibility of distributing of period region in the Mandelbrot set, and finds that Mandelbrot set contain abundant information of structure of Julia sets by founding the whole portray of Julia sets based on Mandelbrot set qualitatively.

  2. Interstellar molecules - Origin by catalytic reactions on grain surfaces. [compound distribution analysis

    NASA Technical Reports Server (NTRS)

    Anders, E.; Hayatsu, R.; Studier, M. H.

    1974-01-01

    To determine the compound distribution formed by surface catalysis, mixtures of CO, D2, and ND2 were heated with nickel-iron or montmorillonite clay catalysts for 49-214 hours at 250 to 300 C. Compounds identified include most of the known polyatomic interstellar molecules, as well as homologous series of acetylenes, dienes, alcohols, aldehydes, ketones, ethers, esters, nitriles, amines, etc., and cyclic compounds such as furans and pyrroles. These homologous series are uniquely characteristic of surface catalysis. A search for the heavier members of these series, predicted to occur at 1/10th to 1/1,000th the abundance of the lightest members, thus comprises a crucial test of this mechanism.

  3. FACTORS IN GEOTROPOSPHERIC PARTICLE-GAS TRANSPORT OF SEMIVOLATILE ORGANIC COMPOUNDS

    EPA Science Inventory

    Semivolatile organic compounds (SVOCs) can exist in solid, liquid, or gas phases under ambient environmental conditions. The geotropospheric transport of SVOCs varies according to the particle type. Two classes of SVOCs and two types of particles were analyzed to determine possib...

  4. Class I Microcins: Their Structures, Activities, and Mechanisms of Resistance

    NASA Astrophysics Data System (ADS)

    Severinov, Konstantin; Semenova, Ekaterina; Kazakov, Teymur

    Microcin J25, microcin B17, and microcin C7-C51 are the three known members of class I posttranslationally modified microcins (heavily posttranslationally modified antibacterial peptides produced by Enterobacteriaceae with molecular weights of less than 5 kDa). The three microcins are unrelated to each other; they have structures that are highly atypical for ribosomally synthesized peptides and target essential molecular machines that are validated drug targets. In this chapter, available data on mechanisms of action, structure-activity relationships, and immunity mechanisms for class I microcins and related compounds are discussed.

  5. From the Test Tube to the Treatment Room: Fundamentals of Boron-containing Compounds and their Relevance to Dermatology.

    PubMed

    Del Rosso, James Q; Plattner, Jacob J

    2014-02-01

    The development of new drug classes and novel molecules that are brought to the marketplace has been a formidable challenge, especially for dermatologic drugs. The relative absence of new classes of antimicrobial agents is also readily apparent. Several barriers account for slow drug development, including regulatory changes, added study requirements, commercial pressures to bring drugs to market quickly by developing new generations of established compounds, and the greater potential for failure and higher financial risk when researching new drug classes. In addition, the return on investment is usually much lower with dermatologic drugs as compared to the potential revenue from "blockbuster" drugs for cardiovascular or gastrointestinal disease, hypercholesterolemia, and mood disorders. Nevertheless, some researchers are investigating new therapeutic platforms, one of which is boron-containing compounds. Boron-containing compounds offer a wide variety of potential applications in dermatology due to their unique physical and chemical properties, with several in formal phases of development. Tavaborole, a benzoxaborole compound, has been submitted to the United States Food and Drug Administration for approval for treatment of onychomycosis. This article provides a thorough overview of the history of boron-based compounds in medicine, their scientific rationale, physiochemical and pharmacologic properties, and modes of actions including therapeutic targets. A section dedicated to boron-based compounds in development for treatment of various skin disorders is also included.

  6. The low/high BCS permeability class boundary: physicochemical comparison of metoprolol and labetalol.

    PubMed

    Zur, Moran; Gasparini, Marisa; Wolk, Omri; Amidon, Gordon L; Dahan, Arik

    2014-05-05

    Although recognized as overly conservative, metoprolol is currently the common low/high BCS permeability class boundary reference compound, while labetalol was suggested as a potential alternative. The purpose of this study was to identify the various characteristics that the optimal marker should exhibit, and to investigate the suitability of labetalol as the permeability class reference drug. Labetalol's BCS solubility class was determined, and its physicochemical properties and intestinal permeability were thoroughly investigated, both in vitro and in vivo in rats, considering the complexity of the whole of the small intestine. Labetalol was found to be unequivocally a high-solubility compound. In the pH range throughout the small intestine (6.5-7.5), labetalol exhibited pH-dependent permeability, with higher permeability at higher pH values. While in vitro octanol-buffer partitioning (Log D) values of labetalol were significantly higher than those of metoprolol, the opposite was evident in the in vitro PAMPA permeability assay. The results of the in vivo perfusion studies in rats lay between the two contradictory in vitro studies; metoprolol was shown to have moderately higher rat intestinal permeability than labetalol. Theoretical distribution of the ionic species of the drugs was in corroboration with the experimental in vitro and the in vivo data. We propose three characteristics that the optimal permeability class reference drug should exhibit: (1) fraction dose absorbed in the range of 90%; (2) the optimal marker drug should be absorbed largely via passive transcellular permeability, with no/negligible carrier-mediated active intestinal transport (influx or efflux); and (3) the optimal marker drug should preferably be nonionizable. The data presented in this paper demonstrate that neither metoprolol nor labetalol can be regarded as optimal low/high-permeability class boundary standard. While metoprolol is too conservative due to its complete absorption

  7. Organosulfur compounds and possible mechanism of garlic in cancer

    PubMed Central

    Omar, S.H.; Al-Wabel, N.A.

    2009-01-01

    Garlic (Allium sativum), a member of the family Liliaceae, contains an abundance of chemical compounds that have been shown to possess beneficial effects to protect against several diseases, including cancer. Evidence supports the protective effects of garlic in stomach, colorectal, breast cancer in humans. The protective effects appear to be related to the presence of organosulfur compounds, predominantly allyl derivatives, which also have been shown to inhibit carcinogenesis in forestomach, esophagus, colon, mammary gland and lung of experimental animals. The exact mechanisms of the cancer-preventive effects are not clear, although several hypotheses have been proposed. Organosulfur compounds modulate the activity of several metabolizing enzymes that activate (cytochrome P450s) or detoxify (glutathione S-transferases) carcinogens and inhibit the formation of DNA adducts in several target tissues. Antiproliferative activity has been described in several tumor cell lines, which is possibly mediated by induction of apoptosis and alterations of the cell cycle. Organosulfur compounds in garlic are thus possible cancer-preventive agents. Clinical trials will be required to define the effective dose that has no toxicity in humans. PMID:23960721

  8. Methanobactin: a copper binding compound having antibiotic and antioxidant activity isolated from methanotrophic bacteria

    DOEpatents

    DiSpirito, Alan A [Ames, IA; Zahn, James A [Harbor Beach, MI; Graham, David W [Lawrence, KS; Kim, Hyung J [St. Paul, MN; Alterman, Michail [Lawrence, KS; Larive, Cynthia [Lawrence, KS

    2007-04-03

    A means and method for treating bacterial infection, providing antioxidant activity, and chelating copper using a copper binding compound produced by methanotrophic bacteria is described. The compound, known as methanobactin, is the first of a new class of antibiotics having gram-positive activity. Methanobactin has been sequenced, and its structural formula determined.

  9. Abundance and Size of Gulf Shrimp in Louisiana's Coastal Estuaries following the Deepwater Horizon Oil Spill

    PubMed Central

    van der Ham, Joris L.; de Mutsert, Kim

    2014-01-01

    The Deepwater Horizon oil spill impacted Louisiana's coastal estuaries physically, chemically, and biologically. To better understand the ecological consequences of this oil spill on Louisiana estuaries, we compared the abundance and size of two Gulf shrimp species (Farfantepeneus aztecus and Litopeneus setiferus) in heavily affected and relatively unaffected estuaries, before and after the oil spill. Two datasets were used to conduct this study: data on shrimp abundance and size before the spill were available from Louisiana Department of Wildlife and Fisheries (LDWF). Data on shrimp abundance and size from after the spill were independently collected by the authors and by LDWF. Using a Before-After-Control-Impact with Paired sampling (BACIP) design with monthly samples of two selected basins, we found brown shrimp to become more abundant and the mean size of white shrimp to become smaller. Using a BACIP with data on successive shrimp year-classes of multiple basins, we found both species to become more abundant in basins that were affected by the spill, while mean shrimp size either not change after the spill, or increased in both affected and unaffected basins. We conclude that following the oil spill abundances of both species increased within affected estuaries, whereas mean size may have been unaffected. We propose two factors that may have caused these results: 1) exposure to polycyclic aromatic hydrocarbons (PAHs) may have reduced the growth rate of shrimp, resulting in a delayed movement of shrimp to offshore habitats, and an increase of within-estuary shrimp abundance, and 2) fishing closures established immediately after the spill, may have resulted in decreased fishing effort and an increase in shrimp abundance. This study accentuates the complexities in determining ecological effects of oil spills, and the need of studies on the organismal level to reveal cause-and-effect relationships of such events. PMID:25272142

  10. Current knowledge of soft cheeses flavor and related compounds.

    PubMed

    Sablé, S; Cottenceau, G

    1999-12-01

    Cheese aroma is the result of the perception of a large number of molecules belonging to different chemical classes. The volatile compounds involved in the soft cheese flavor have received a great deal of attention. However, there has been less work concerning the volatile compounds in the soft smear-ripened cheeses than in the mold-ripened cheeses. This paper reviews the components that contribute to the characteristic flavor in the soft cheeses such as surface-ripened, Camembert-type, and Blue cheeses. The sensory properties and quantities of the molecules in the different cheeses are discussed.

  11. Superconductivity in graphite intercalation compounds

    DOE PAGES

    Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.; ...

    2015-02-26

    This study examines the field of superconductivity in the class of materials known as graphite intercalation compounds which has a history dating back to the 1960s. This paper recontextualizes the field in light of the discovery of superconductivity in CaC₆ and YbC₆ in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how this relates to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic statesmore » and phonon modes are most important for superconductivity and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.« less

  12. Absolute quantification of microbial taxon abundances.

    PubMed

    Props, Ruben; Kerckhof, Frederiek-Maarten; Rubbens, Peter; De Vrieze, Jo; Hernandez Sanabria, Emma; Waegeman, Willem; Monsieurs, Pieter; Hammes, Frederik; Boon, Nico

    2017-02-01

    High-throughput amplicon sequencing has become a well-established approach for microbial community profiling. Correlating shifts in the relative abundances of bacterial taxa with environmental gradients is the goal of many microbiome surveys. As the abundances generated by this technology are semi-quantitative by definition, the observed dynamics may not accurately reflect those of the actual taxon densities. We combined the sequencing approach (16S rRNA gene) with robust single-cell enumeration technologies (flow cytometry) to quantify the absolute taxon abundances. A detailed longitudinal analysis of the absolute abundances resulted in distinct abundance profiles that were less ambiguous and expressed in units that can be directly compared across studies. We further provide evidence that the enrichment of taxa (increase in relative abundance) does not necessarily relate to the outgrowth of taxa (increase in absolute abundance). Our results highlight that both relative and absolute abundances should be considered for a comprehensive biological interpretation of microbiome surveys.

  13. CMPF: class-switching minimized pathfinding in metabolic networks.

    PubMed

    Lim, Kevin; Wong, Limsoon

    2012-01-01

    The metabolic network is an aggregation of enzyme catalyzed reactions that converts one compound to another. Paths in a metabolic network are a sequence of enzymes that describe how a chemical compound of interest can be produced in a biological system. As the number of such paths is quite large, many methods have been developed to score paths so that the k-shortest paths represent the set of paths that are biologically meaningful or efficient. However, these approaches do not consider whether the sequence of enzymes can be manufactured in the same pathway/species/localization. As a result, a predicted sequence might consist of groups of enzymes that operate in distinct pathway/species/localization and may not truly reflect the events occurring within cell. We propose a path weighting method CMPF (Class-switching Minimized Pathfinder) to search for routes in a metabolic network which minimizes pathway switching. In biological terms, a pathway is a series of chemical reactions which define a specific function (e.g. glycolysis). We conjecture that routes that cross many pathways are inefficient since different pathways define different metabolic functions. In addition, native routes are also well characterized within pathways, suggesting that reasonable paths should not involve too many pathway switches. Our method can be generalized when reactions participate in a class set (e.g., pathways, species or cellular localization) so that the paths predicted have minimal class crossings. We show that our method generates k-paths that involve the least number of class switching. In addition, we also show that native paths are recoverable and alternative paths deviates less from native paths compared to other methods. This suggests that paths ranked by our method could be a way to predict paths that are likely to occur in biological systems.

  14. Abundâncias químicas de estrelas T Tauri fracas

    NASA Astrophysics Data System (ADS)

    Rojas, G. A.; Gregorio-Hetem, J.

    2003-08-01

    Apresentamos resultados do estudo de 44 estrelas pré-seqüência principal, para as quais buscamos realizar uma classificação espectroscópica e determinar parâmetros estelares e abundâncias químicas. A amostra foi escolhida da seguinte maneira : 21 objetos selecionados a partir de catálogos de objetos jovens, como o Pico dos Dias Survey e o Herbig Bell Catalogue, e 23 objetos selecionados a partir de contrapartidas ópticas de fontes de raios X detectadas pelo satélite ROSAT. Dentre 24 objetos previamente classificados como estrelas T Tauri Fracas, apenas 7 revelaram ser realmente pertencentes à essa classe, sendo os demais objetos T Tauri Clássicas ou estrelas evoluídas da pré-seqüência principal. Esse resultado demonstra que o critério mais utilizado para distinguir as T Tauri Clássicas das T Tauri Fracas, baseado na largura equivelente da emissão Ha, não é suficiente para determinar o estágio evolutivo desses objetos. Para o cálculo de parâmetros estelares e abundâncias, foram escolhidas as estrelas que apresentam características ideais para esse tipo de estudo, como ausência de velamento, baixa velocidade de rotação e espectros com razão sinal-ruído adequada. Os parâmetros estelares como temperatura efetiva e gravidade foram determinados através do equilíbrio de excitação e ionização das linhas de Ferro, e as abundâncias químicas foram calculadas utilizando o método de síntese espectral. Serão apresentados os parâmetros estelares e as abundâncias de Lítio para toda a amostra, e abundâncias de vários elementos quimicos para 7 estrelas estudadas em maior detalhe

  15. Organic compounds of PM2.5 in Mexico Valley: spatial and temporal patterns, behavior and sources.

    PubMed

    Amador-Muñoz, O; Villalobos-Pietrini, R; Miranda, J; Vera-Avila, L E

    2011-03-15

    A longitudinal study on spatial and temporal behavior of particles less than 2.5 μm (PM(2.5)), solvent extracted organic matter (SEOM), polycyclic aromatic hydrocarbons (PAH), n-alkanes and nitro-PAH was carried out for a full year in 2006, at five sites simultaneously around the Metropolitan Zone of Mexico Valley (MZMV). There is rather uniform distribution of PM(2.5) and SEOM in the MZMV regarding gravimetric mass concentration, while some specific organic chemical components showed mass heterogeneity. The highest mass concentrations of target compounds occurred in the dry seasons with respect to the rainy season. Bonfires and fireworks are probably responsible for extreme values of PM(2.5), SEOM and PAH (≥ 228 gmol(-1)). Benzo[ghi]perylene was the most abundant PAH, with C(24)-C(26) the most abundant n-alkanes and 2-nitrofluoranthene and 9-nitroanthracene the most abundant nitro-PAH. The northeast zone was the area with the greatest presence of sources of incomplete diesel combustion, while the central for gasoline combustion. In the southwest, the biogenic sources were more abundant over the anthropogenic sources. This was opposite to the other sites. Factor analysis allowed us to relate different compounds to emitting sources. Three main factors were associated with combustion, pyrolysis and biogenic primary sources while the other factors were associated with secondary organic aerosol formation and industry. Correlation analyses indicated that SEOM originates from different primary emission sources or is formed by different processes than the other variables, except in southwest. Associations among variables suggest that PM(2.5) in the northwest and in the southeast originated mainly from primary emissions or consisted of primary organic compounds. PM(2.5) in the northeast, central and southwest contains a greater proportion of secondary organic compounds, with the less oxidized organic aerosols in the northeast and the most aged organic aerosol in the

  16. Multiscale Modelling of Relationships between Protein Classes and Drug Behavior Across all Diseases Using the CANDO Platform

    PubMed Central

    Samudrala, Ram

    2015-01-01

    We have examined the effect of eight different protein classes (channels, GPCRs, kinases, ligases, nuclear receptors, proteases, phosphatases, transporters) on the benchmarking performance of the CANDO drug discovery and repurposing platform (http://protinfo.org/cando). The first version of the CANDO platform utilizes a matrix of predicted interactions between 48278 proteins and 3733 human ingestible compounds (including FDA approved drugs and supplements) that map to 2030 indications/diseases using a hierarchical chem and bio-informatic fragment based docking with dynamics protocol (> one billion predicted interactions considered). The platform uses similarity of compound-proteome interaction signatures as indicative of similar functional behavior and benchmarking accuracy is calculated across 1439 indications/diseases with more than one approved drug. The CANDO platform yields a significant correlation (0.99, p-value < 0.0001) between the number of proteins considered and benchmarking accuracy obtained indicating the importance of multitargeting for drug discovery. Average benchmarking accuracies range from 6.2 % to 7.6 % for the eight classes when the top 10 ranked compounds are considered, in contrast to a range of 5.5 % to 11.7 % obtained for the comparison/control sets consisting of 10, 100, 1000, and 10000 single best performing proteins. These results are generally two orders of magnitude better than the average accuracy of 0.2% obtained when randomly generated (fully scrambled) matrices are used. Different indications perform well when different classes are used but the best accuracies (up to 11.7% for the top 10 ranked compounds) are achieved when a combination of classes are used containing the broadest distribution of protein folds. Our results illustrate the utility of the CANDO approach and the consideration of different protein classes for devising indication specific protocols for drug repurposing as well as drug discovery. PMID:25694071

  17. Fate and Transport of Select Hydraulic Fracturing Compounds of Potential Concern

    EPA Pesticide Factsheets

    Use of proprietary mixtures of reagents in fracing fluids injected in deep zones, has led to controversy over potential contamination of drinking water aquifers. This presentation focuses on the different classes of compounds identified in fracing fluids.

  18. Do stellar and nebular abundances in the Cocoon nebula agree?

    NASA Astrophysics Data System (ADS)

    García-Rojas, J.; Simón-Díaz, S.; Esteban, C.

    2015-05-01

    The Cocoon nebula is an apparently spherical Galactic HII region ionized by a single star (BD+46 3474). This nebula seems to be appropriate to investigate the chemical behavior of oxygen and other heavy elements from two different points of view: a detailed analysis of the chemical content of the ionized gas through nebular spectrophotometry and a detailed spectroscopic analysis of the spectrum of the ionizing star using the state-of-the-art stellar atmosphere modelling. In this poster we present the results from a set of high-quality observations, from 2m-4m class telescopes, including the optical spectrum of the ionizing star BD+46 3474, along with long-slit spatially resolved spectroscopy of the nebula. We have used state-of-the-art stellar atmosphere codes to determine stellar parameters and the chemical content of several heavy elements. Traditional nebular techniques along with updated atomic data have been used to compute gaseous abundances of O, N and S in the Cocoon nebula. Thanks to the low ionization degree of the nebula, we could determine total abundances directly from observable ions (no ionization correction factors were needed) for three of the analyzed elements (O, S, and N). The derived stellar and nebular abundances are compared and the influence of the possible presence of the so-called temperature fluctuations on the nebula is discussed. The results of this study are presented in more detail in García-Rojas, Simón-Díaz & Esteban 2014, A&A, 571, A93.

  19. Diverse and abundant antibiotic resistance genes in Chinese swine farms

    PubMed Central

    Zhu, Yong-Guan; Johnson, Timothy A.; Su, Jian-Qiang; Qiao, Min; Guo, Guang-Xia; Stedtfeld, Robert D.; Hashsham, Syed A.; Tiedje, James M.

    2013-01-01

    Antibiotic resistance genes (ARGs) are emerging contaminants posing a potential worldwide human health risk. Intensive animal husbandry is believed to be a major contributor to the increased environmental burden of ARGs. Despite the volume of antibiotics used in China, little information is available regarding the corresponding ARGs associated with animal farms. We assessed type and concentrations of ARGs at three stages of manure processing to land disposal at three large-scale (10,000 animals per year) commercial swine farms in China. In-feed or therapeutic antibiotics used on these farms include all major classes of antibiotics except vancomycins. High-capacity quantitative PCR arrays detected 149 unique resistance genes among all of the farm samples, the top 63 ARGs being enriched 192-fold (median) up to 28,000-fold (maximum) compared with their respective antibiotic-free manure or soil controls. Antibiotics and heavy metals used as feed supplements were elevated in the manures, suggesting the potential for coselection of resistance traits. The potential for horizontal transfer of ARGs because of transposon-specific ARGs is implicated by the enrichment of transposases—the top six alleles being enriched 189-fold (median) up to 90,000-fold in manure—as well as the high correlation (r2 = 0.96) between ARG and transposase abundance. In addition, abundance of ARGs correlated directly with antibiotic and metal concentrations, indicating their importance in selection of resistance genes. Diverse, abundant, and potentially mobile ARGs in farm samples suggest that unmonitored use of antibiotics and metals is causing the emergence and release of ARGs to the environment. PMID:23401528

  20. The effect of imposing 'fractional abundance constraints' onto the multilayer perceptron for sub-pixel land cover classification

    NASA Astrophysics Data System (ADS)

    Heremans, Stien; Suykens, Johan A. K.; Van Orshoven, Jos

    2016-02-01

    To be physically interpretable, sub-pixel land cover fractions or abundances should fulfill two constraints, the Abundance Non-negativity Constraint (ANC) and the Abundance Sum-to-one Constraint (ASC). This paper focuses on the effect of imposing these constraints onto the MultiLayer Perceptron (MLP) for a multi-class sub-pixel land cover classification of a time series of low resolution MODIS-images covering the northern part of Belgium. Two constraining modes were compared, (i) an in-training approach that uses 'softmax' as the transfer function in the MLP's output layer and (ii) a post-training approach that linearly rescales the outputs of the unconstrained MLP. Our results demonstrate that the pixel-level prediction accuracy is markedly increased by the explicit enforcement, both in-training and post-training, of the ANC and the ASC. For aggregations of pixels (municipalities), the constrained perceptrons perform at least as well as their unconstrained counterparts. Although the difference in performance between the in-training and post-training approach is small, we recommend the former for integrating the fractional abundance constraints into MLPs meant for sub-pixel land cover estimation, regardless of the targeted level of spatial aggregation.

  1. Pheromone production, male abundance, body size, and the evolution of elaborate antennae in moths

    PubMed Central

    Symonds, Matthew RE; Johnson, Tamara L; Elgar, Mark A

    2012-01-01

    The males of some species of moths possess elaborate feathery antennae. It is widely assumed that these striking morphological features have evolved through selection for males with greater sensitivity to the female sex pheromone, which is typically released in minute quantities. Accordingly, females of species in which males have elaborate (i.e., pectinate, bipectinate, or quadripectinate) antennae should produce the smallest quantities of pheromone. Alternatively, antennal morphology may be associated with the chemical properties of the pheromone components, with elaborate antennae being associated with pheromones that diffuse more quickly (i.e., have lower molecular weights). Finally, antennal morphology may reflect population structure, with low population abundance selecting for higher sensitivity and hence more elaborate antennae. We conducted a phylogenetic comparative analysis to test these explanations using pheromone chemical data and trapping data for 152 moth species. Elaborate antennae are associated with larger body size (longer forewing length), which suggests a biological cost that smaller moth species cannot bear. Body size is also positively correlated with pheromone titre and negatively correlated with population abundance (estimated by male abundance). Removing the effects of body size revealed no association between the shape of antennae and either pheromone titre, male abundance, or mean molecular weight of the pheromone components. However, among species with elaborate antennae, longer antennae were typically associated with lower male abundances and pheromone compounds with lower molecular weight, suggesting that male distribution and a more rapidly diffusing female sex pheromone may influence the size but not the general shape of male antennae. PMID:22408739

  2. Pyrazoleamide compounds are potent antimalarials that target Na+ homeostasis in intraerythrocytic Plasmodium falciparum

    PubMed Central

    Vaidya, Akhil B.; Morrisey, Joanne M.; Zhang, Zhongsheng; Das, Sudipta; Daly, Thomas M.; Otto, Thomas D.; Spillman, Natalie J.; Wyvratt, Matthew; Siegl, Peter; Marfurt, Jutta; Wirjanata, Grennady; Sebayang, Boni F.; Price, Ric N.; Chatterjee, Arnab; Nagle, Advait; Stasiak, Marcin; Charman, Susan A.; Angulo-Barturen, Iñigo; Ferrer, Santiago; Belén Jiménez-Díaz, María; Martínez, María Santos; Gamo, Francisco Javier; Avery, Vicky M.; Ruecker, Andrea; Delves, Michael; Kirk, Kiaran; Berriman, Matthew; Kortagere, Sandhya; Burrows, Jeremy; Fan, Erkang; Bergman, Lawrence W.

    2014-01-01

    The quest for new antimalarial drugs, especially those with novel modes of action, is essential in the face of emerging drug-resistant parasites. Here we describe a new chemical class of molecules, pyrazoleamides, with potent activity against human malaria parasites and showing remarkably rapid parasite clearance in an in vivo model. Investigations involving pyrazoleamide-resistant parasites, whole-genome sequencing and gene transfers reveal that mutations in two proteins, a calcium-dependent protein kinase (PfCDPK5) and a P-type cation-ATPase (PfATP4), are necessary to impart full resistance to these compounds. A pyrazoleamide compound causes a rapid disruption of Na+ regulation in blood-stage Plasmodium falciparum parasites. Similar effect on Na+ homeostasis was recently reported for spiroindolones, which are antimalarials of a chemical class quite distinct from pyrazoleamides. Our results reveal that disruption of Na+ homeostasis in malaria parasites is a promising mode of antimalarial action mediated by at least two distinct chemical classes. PMID:25422853

  3. Chitosan microparticles: influence of the gelation process on the release profile and oral bioavailability of albendazole, a class II compound.

    PubMed

    Piccirilli, Gisela N; García, Agustina; Leonardi, Darío; Mamprin, María E; Bolmaro, Raúl E; Salomón, Claudio J; Lamas, María C

    2014-11-01

    Encapsulation of albendazole, a class II compound, into polymeric microparticles based on chitosan-sodium lauryl sulfate was investigated as a strategy to improve drug dissolution and oral bioavailability. The microparticles were prepared by spray drying technique and further characterized by means of X-ray powder diffractometry, infrared spectroscopy and scanning electron microscopy. The formation of a novel polymeric structure between chitosan and sodium lauryl sulfate, after the internal or external gelation process, was observed by infrared spectroscopy. The efficiency of encapsulation was found to be between 60 and 85% depending on the internal or external gelation process. Almost spherically spray dried microparticles were observed using scanning electron microscopy. In vitro dissolution results indicated that the microparticles prepared by internal gelation released 8% of the drug within 30 min, while the microparticles prepared by external gelation released 67% within 30 min. It was observed that the AUC and Cmax values of ABZ from microparticles were greatly improved, in comparison with the non-encapsulated drug. In conclusion, the release properties and oral bioavailability of albendazole were greatly improved by using spraydried chitosan-sodium lauryl sulphate microparticles.

  4. S-glutathionyl-(chloro)hydroquinone reductases: a new class of glutathione transferases functioning as oxidoreductases

    PubMed Central

    Belchik, Sara M.; Xun, Luying

    2011-01-01

    Glutathione transferases (GSTs) are best known for transferring glutathione (GSH) to hydrophobic organic compounds, making the conjugates more soluble. However, the omega-class GSTs of animals and the lambda-class GSTs and dehydroascorbate reductases (DHARs) of plants have little or no activity for GSH transfer. Instead, they catalyze GSH-dependent oxidoreductions. The lambda-class GSTs reduce disulfide bonds, the DHARs reduce the disulfide bonds and dehydroascorbate, and the omega-class GSTs can reduce more substrates, including disulfide bonds, dehydroascorbate, and dimethylarsinate. Glutathionyl-(chloro)hydroquinone reductases (GS-HQRs) are the newest class of GSTs that mainly catalyze oxidoreductions. Besides the activities of the other three classes, GS-HQRs also reduce GS-hydroquinones, including GS-trichloro-p-hydroquinone, GS-dichloro-p-hydroquinone, GS-2-hydroxy-p-hydroquinone, and GS-p-hydroquinone. They are conserved and widely distributed in bacteria, fungi, protozoa, and plants, but not in animals. The four classes are phylogenetically more related to each other than to other GSTs, and they share a Cys-Pro motif at the GSH-binding site. Hydroquinones are metabolic intermediates of certain aromatic compounds. They can be auto-oxidized by O2 to benzoquinones, which spontaneously react with GSH to form GS-hydroquinones via Michael’s addition. GS-HQRs are expected to channel GS-hydroquinones, formed spontaneously or enzymatically, back to hydroquinones. When the released hydroquinones are intermediates of metabolic pathways, GS-HQRs play a maintenance role for the pathways. Further, the common presence of GS-HQRs in plants, green algae, cyanobacteria, and halobacteria suggest a beneficial role in the light-using organisms. PMID:21425927

  5. Selective Oxidation of Lignin Model Compounds.

    PubMed

    Gao, Ruili; Li, Yanding; Kim, Hoon; Mobley, Justin K; Ralph, John

    2018-05-02

    Lignin, the planet's most abundant renewable source of aromatic compounds, is difficult to degrade efficiently to welldefined aromatics. We developed a microwave-assisted catalytic Swern oxidation system using an easily prepared catalyst, MoO 2 Cl 2 (DMSO) 2 , and DMSO as the solvent and oxidant. It demonstrated high efficiency in transforming lignin model compounds containing the units and functional groups found in native lignins. The aromatic ring substituents strongly influenced the selectivity of β-ether phenolic dimer cleavage to generate sinapaldehyde and coniferaldehyde, monomers not usually produced by oxidative methods. Time-course studies on two key intermediates provided insight into the reaction pathway. Owing to the broad scope of this oxidation system and the insight gleaned with regard to its mechanism, this strategy could be adapted and applied in a general sense to the production of useful aromatic chemicals from phenolics and lignin. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Distillation of secret-key from a class of compound memoryless quantum sources

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Boche, H., E-mail: boche@tum.de; Janßen, G., E-mail: gisbert.janssen@tum.de

    We consider secret-key distillation from tripartite compound classical-quantum-quantum (cqq) sources with free forward public communication under strong security criterion. We design protocols which are universally reliable and secure in this scenario. These are shown to achieve asymptotically optimal rates as long as a certain regularity condition is fulfilled by the set of its generating density matrices. We derive a multi-letter formula which describes the optimal forward secret-key capacity for all compound cqq sources being regular in this sense. We also determine the forward secret-key distillation capacity for situations where the legitimate sending party has perfect knowledge of his/her marginal statemore » deriving from the source statistics. In this case regularity conditions can be dropped. Our results show that the capacities with and without the mentioned kind of state knowledge are equal as long as the source is generated by a regular set of density matrices. We demonstrate that regularity of cqq sources is not only a technical but also an operational issue. For this reason, we give an example of a source which has zero secret-key distillation capacity without sender knowledge, while achieving positive rates is possible if sender marginal knowledge is provided.« less

  7. Identification and hit-to-lead optimization of a novel class of CB1 antagonists.

    PubMed

    Letourneau, Jeffrey J; Jokiel, Patrick; Olson, John; Riviello, Christopher M; Ho, Koc-Kan; McAleer, Lihong; Yang, Jingchun; Swanson, Robert N; Baker, James; Cowley, Phillip; Edwards, Darren; Ward, Nick; Ohlmeyer, Michael H J; Webb, Maria L

    2010-09-15

    The discovery, synthesis and preliminary structure-activity relationships (SARs) of a novel class of CB1 antagonists is described. Initial optimization of benzimidazole-based screening hit 4 led to the identification of 'inverted' indole-based lead compound 18c with improved properties versus compound 4 including reduced AlogP, improved microsomal stability and improved aqueous solubility. Compound 18c demonstrates in vivo CB1 antagonist efficacy (CB1 agonist induced hypothermia model) and is orally bioavailable in rat. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

  8. Occurrence and abundance of carbohydrates and amino compounds in sequentially extracted labile soil organic matter fractions.

    USDA-ARS?s Scientific Manuscript database

    This study aimed to investigate the content of carbohydrates and amino compounds in three labile fraction of soil organic matter (SOM). Soil samples were collected from two agricultural fields in southern Italy and the light fraction (LF), the 500–53-µm particulate organic matter (POM) and the mobil...

  9. Abundance and Diversity of Soil Arthropods in the Olive Grove Ecosystem

    PubMed Central

    Gonçalves, Maria Fátima; Pereira, José Alberto

    2012-01-01

    Arthropods are part of important functional groups in soil food webs. Recognizing these arthropods and understanding their function in the ecosystem as well as when they are active is essential to understanding their roles. In the present work, the abundance and diversity of soil arthropods is examined in olive groves in the northeast region of Portugal during the spring. Five classes of arthropods were found: Chilopoda, Malacostraca, Entognatha, Insecta, and Arachnida. Captures were numerically dominated by Collembola within Entognatha, representing 70.9% of total captures. Arachnida and Insecta classes represented about 20.4 and 9.0%, respectively. Among the predatory arthropods, the most representative groups were Araneae and Opiliones from Arachnida, and Formicidae, Carabidae, and Staphylinidae from Insecta. From the Formicidae family, Tetramorium semilaeve (Andre 1883), Tapinoma nigerrimum (Nylander 1856), and Crematogaster scutellaris (Olivier 1792) were the most representative ant species. Arthropods demonstrated preference during the day, with 74% of the total individuals recovered in this period, although richness and similarity were analogous during the day and night. PMID:22943295

  10. Design, synthesis, and biological evaluation of combretabenzodiazepines: a novel class of anti-tubulin agents.

    PubMed

    Galli, Ubaldina; Travelli, Cristina; Aprile, Silvio; Arrigoni, Elena; Torretta, Simone; Grosa, Giorgio; Massarotti, Alberto; Sorba, Giovanni; Canonico, Pier Luigi; Genazzani, Armando A; Tron, Gian Cesare

    2015-02-12

    In the present manuscript, starting from the 1,4-benzodiazepin-2-one nucleus, a privileged structure in medicinal chemistry, we have synthesized a novel class of cis-locked combretastatins named combreatabenzodiazepines. They show similar cytotoxic and antitubulin activity compared to combretastatin A-4 in neuroblastoma cells, showing a better pharmacokinetic profile. This class of compounds has therefore the potential for further development as antitubulin agents.

  11. Solar abundance of silicon

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Holweger, H.

    1973-07-01

    An analysis of 19 photospheric Si I lines whose oscillator strengths have recently been detertmined by Garz (1973) leads to a solar abundance of silicon, log epsilon /sub Si/ = 7.65 plus or minus 0.07, on the scale where log epsilon /sub H/ = 12. Together with the sodium abundance determained earlier by the same method, a solar abundance ratio /sup epsilon /Na//sup epsilon /Si = 0.045 ( plus or minus 10%) results. Within the error limits this a grees wtth the meteoritic ratio found in carbonaceous chondrites. Results concerning line-broadening by hydrogen are discussed. (auth)

  12. HS-SPME analysis of volatile organic compounds of coniferous needle litter

    NASA Astrophysics Data System (ADS)

    Isidorov, V. A.; Vinogorova, V. T.; Rafałowski, K.

    The composition of volatile emission of Scots pine ( Pinus sylvestris) and spruce ( Picea exelsa) litter was studied by gas chromatography-mass spectrometry (GC-MS) and samples were collected by solid-phase microextraction (SPME) method. The list of identified compounds includes over 60 organic substances of different classes. It was established that volatile emission contain not only components of essential oils of pine and spruce needles but also a large number of organic compounds which are probably secondary metabolites of litter-decomposing fungi. They include lower carbonyl compounds and alcohols as well as products of terpene dehydration and oxidation. These data show that the processes of litter decomposition are an important source of reactive organic compounds under canopy of coniferous forests.

  13. Great interspecies and intraspecies diversity of dairy propionibacteria in the production of cheese aroma compounds.

    PubMed

    Yee, Alyson L; Maillard, Marie-Bernadette; Roland, Nathalie; Chuat, Victoria; Leclerc, Aurélie; Pogačić, Tomislav; Valence, Florence; Thierry, Anne

    2014-11-17

    Flavor is an important sensory property of fermented food products, including cheese, and largely results from the production of aroma compounds by microorganisms. Propionibacterium freudenreichii is the most widely used species of dairy propionibacteria; it has been implicated in the production of a wide variety of aroma compounds through multiple metabolic pathways and is associated with the flavor of Swiss cheese. However, the ability of other dairy propionibacteria to produce aroma compounds has not been characterized. This study sought to elucidate the effect of interspecies and intraspecies diversity of dairy propionibacteria on the production of aroma compounds in a cheese context. A total of 76 strains of Propionibacterium freudenreichii, Propionibacterium jensenii, Propionibacterium thoenii, and Propionibacterium acidipropionici were grown for 15 days in pure culture in a rich medium derived from cheese curd. In addition, one strain each of two phylogenetically related non-dairy propionibacteria, Propionibacterium cyclohexanicum and Propionibacterium microaerophilum were included. Aroma compounds were analyzed using headspace trap-gas chromatography-mass spectrometry (GC-MS). An analysis of variance performed on GC-MS data showed that the abundance of 36 out of the 45 aroma compounds detected showed significant differences between the cultures. A principal component analysis (PCA) was performed for these 36 compounds. The first two axes of the PCA, accounting for 60% of the variability between cultures, separated P. freudenreichii strains from P. acidipropionici strains and also differentiated P. freudenreichii strains from each other. P. freudenreichii strains were associated with greater concentrations of a variety of compounds, including free fatty acids from lipolysis, ethyl esters derived from these acids, and branched-chain acids and alcohols from amino acid catabolism. P. acidipropionici strains produced less of these compounds but more sulfur

  14. Antimalarial activity of compounds comprising a primary benzene sulfonamide fragment.

    PubMed

    Andrews, Katherine T; Fisher, Gillian M; Sumanadasa, Subathdrage D M; Skinner-Adams, Tina; Moeker, Janina; Lopez, Marie; Poulsen, Sally-Ann

    2013-11-15

    Despite the urgent need for effective antimalarial drugs with novel modes of action no new chemical class of antimalarial drug has been approved for use since 1996. To address this, we have used a rational approach to investigate compounds comprising the primary benzene sulfonamide fragment as a potential new antimalarial chemotype. We report the in vitro activity against Plasmodium falciparum drug sensitive (3D7) and resistant (Dd2) parasites for a panel of fourteen primary benzene sulfonamide compounds. Our findings provide a platform to support the further evaluation of primary benzene sulfonamides as a new antimalarial chemotype, including the identification of the target of these compounds in the parasite. Copyright © 2013 Elsevier Ltd. All rights reserved.

  15. Characterization of organic material in ice core samples from North America, Greenland, and Antarctica using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry

    NASA Astrophysics Data System (ADS)

    Catanzano, V.; Grannas, A. M.; Sleighter, R. L.; Hatcher, P. G.

    2013-12-01

    Historically, it has been an analytical challenge to detect and identify the organic components present in ice cores, due to the low abundance of organic carbon. In order to detect and characterize the small amounts of organic matter in ice cores, ultra high resolution instrumentation is required. Here we report the use of ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry, coupled with electrospray ionization, to identify the molecular formulas and compound classes of organic matter in both modern and ancient ice core and glacial samples from Wyoming, Greenland, and Antarctica. A suite of 21 samples were analyzed and thousands of distinct molecular species were identified in each sample, providing clues to the nature and sources of organic matter in these regions. Major biochemical classes of compounds were detected such as lignins, tannins, carbohydrates, proteins, lipids, unsaturated hydrocarbons, and condensed aromatic compounds. We will compare the nature of the organic matter present in the samples in order to determine the differences in dominant organic compound classes and in heteroatom (nitrogen and sulfur) abundance. By analyzing these differences, it is possible to investigate the historical patterns of organic matter deposition/source, and begin to investigate the influence of climate change, volcanism, and onset of the industrial revolution on the nature of organic matter preserved in ice cores.

  16. Targeted and Untargeted Metabolic Profiling of Wild Grassland Plants identifies Antibiotic and Anthelmintic Compounds Targeting Pathogen Physiology, Metabolism and Reproduction.

    PubMed

    French, Katherine E; Harvey, Joe; McCullagh, James S O

    2018-01-26

    Plants traditionally used by farmers to manage livestock ailments could reduce reliance on synthetic antibiotics and anthelmintics but in many cases their chemical composition is unknown. As a case study, we analyzed the metabolite profiles of 17 plant species and 45 biomass samples from agricultural grasslands in England using targeted and untargeted metabolite profiling by liquid-chromatography mass spectrometry. We identified a range of plant secondary metabolites, including 32 compounds with known antimicrobial/anthelmintic properties which varied considerably across the different plant samples. These compounds have been shown previously to target multiple aspects of pathogen physiology and metabolism in vitro and in vivo, including inhibition of quorum sensing in bacteria and egg viability in nematodes. The most abundant bioactive compounds were benzoic acid, myricetin, p-coumaric acid, rhamnetin, and rosmarinic acid. Four wild plants (Filipendula ulmaria (L.) Maxim., Prunella vulgaris L., Centuarea nigra L., and Rhinanthus minor L.) and two forage legumes (Medicago sativa L., Trifolium hybridium L.) contained high levels of these compounds. Forage samples from native high-diversity grasslands had a greater abundance of medicinal compounds than samples from agriculturally improved grasslands. Incorporating plants with antibiotic/anthelmintic compounds into livestock feeds may reduce global drug-resistance and preserve the efficacy of last-resort drugs.

  17. Bacteriological profiling of diphenylureas as a novel class of antibiotics against methicillin-resistant Staphylococcus aureus

    PubMed Central

    Younis, Waleed; Ezzat, Hany G.; Peters, Christine E.; AbdelKhalek, Ahmed; Cooper, Bruce; Pogliano, Kit; Pogliano, Joe; Mayhoub, Abdelrahman S.; Seleem, Mohamed N.

    2017-01-01

    Bacterial resistance to antibiotics remains an imposing global public health challenge. Of the most serious pathogens, methicillin-resistant Staphylococcus aureus (MRSA) is problematic given strains have emerged that exhibit resistance to several antibiotic classes including β-lactams and agents of last resort such as vancomycin. New antibacterial agents composed of unique chemical scaffolds are needed to counter this public health challenge. The present study examines two synthetic diphenylurea compounds 1 and 2 that inhibit growth of clinically-relevant isolates of MRSA at concentrations as low as 4 µg/mL and are non-toxic to human colorectal cells at concentrations up to 128 μg/mL. Both compounds exhibit rapid bactericidal activity, completely eliminating a high inoculum of MRSA within four hours. MRSA mutants exhibiting resistance to 1 and 2 could not be isolated, indicating a low likelihood of rapid resistance emerging to these compounds. Bacterial cytological profiling revealed the diphenylureas exert their antibacterial activity by targeting bacterial cell wall synthesis. Both compounds demonstrate the ability to resensitize vancomycin-resistant Staphylococcus aureus to the effect of vancomycin. The present study lays the foundation for further investigation and development of diphenylurea compounds as a new class of antibacterial agents. PMID:28797064

  18. Determination of volatile marker compounds of common coffee roast defects.

    PubMed

    Yang, Ni; Liu, Chujiao; Liu, Xingkun; Degn, Tina Kreuzfeldt; Munchow, Morten; Fisk, Ian

    2016-11-15

    Coffee beans from the same origin were roasted using six time-temperature profiles, in order to identify volatile aroma compounds associated with five common roast coffee defects (light, scorched, dark, baked and underdeveloped). Thirty-seven volatile aroma compounds were selected on the basis that they had previously been identified as potent odorants of coffee and were also identified in all coffee brew preparations; the relative abundance of these aroma compounds was then evaluated using gas chromatography mass spectrometry (GC-MS) with headspace solid phase micro extraction. Some of the 37 key aroma compounds were significantly changed in each coffee roast defect and changes in one marker compound was chosen for each defect type, that is, indole for light defect, 4-ethyl-2-methoxyphenol for scorched defect, phenol for dark defect, maltol for baked defect and 2,5-dimethylfuran for underdeveloped defect. The association of specific changes in aroma profiles for different roast defects has not been shown previously and could be incorporated into screening tools to enable the coffee industry quickly identify if roast defects occur during production. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  19. Occurrence and abatement of volatile sulfur compounds during biogas production.

    PubMed

    Andersson, Fräs Annika T; Karlsson, Anna; Svensson, Bo H; Ejlertsson, Jörgen

    2004-07-01

    Volatile sulfur compounds (VSCs) in biogas originating from a biogas production plant and from a municipal sewage water treatment plant were identified. Samples were taken at various stages of the biogas-producing process, including upgrading the gas to vehicle-fuel quality. Solid-phase microextraction was used for preconcentration of the VSCs, which were subsequently analyzed using gas chromatography in combination with mass spectrometry. Other volatile organic compounds present also were identified. The most commonly occurring VSCs in the biogas were hydrogen sulfide, carbonyl sulfide, methanethiol, dimethyl sulfide, and dimethyl disulfide, and hydrogen sulfide was not always the most abundant sulfur (S) compound. Besides VSCs, oxygenated organic compounds were commonly present (e.g., ketones, alcohols, and esters). The effect of adding iron chloride to the biogas reactor on the occurrence of VSCs also was investigated. It was found that additions of 500-g/m3 substrate gave an optimal removal of VSCs. Also, the use of a prefermentation step could reduce the amount of VSCs formed in the biogas process. Moreover, in the carbon dioxide scrubber used for upgrading the gas, VSCs were removed efficiently, leaving traces (ppbv levels). The scrubber also removed other organic compounds.

  20. Effect of different cooking methods on lipid oxidation and formation of volatile compounds in foal meat.

    PubMed

    Domínguez, Rubén; Gómez, María; Fonseca, Sonia; Lorenzo, José M

    2014-06-01

    The influence of four different cooking methods (roasting, grilling, microwaving and frying) on cooking loss, lipid oxidation and volatile profile of foal meat was studied. Cooking loss were significantly (P<0.001) affected by thermal treatment, being higher (32.5%) after microwaving and lower after grilling (22.5%) and frying (23.8%). As expected, all the cooking methods increased TBARs content, since high temperature during cooking causes increased oxidation in foal steaks, this increase was significantly (P<0.001) higher when foal steaks were microwaved or roasted. The four different cooking methods led to increased total volatile compounds (between 366.7 and 633.1AU×10(6)/g dry matter) compared to raw steaks (216.4AU×10(6)/g dry matter). The roasted steaks showed the highest volatile content, indicating that increased cooking temperature increases the formation of volatile compounds. Aldehydes were the most abundant compounds in cooked samples, with amounts of 217.2, 364.5, 283.5 and 409.1AU×10(6)/g dry matter in grilled, microwaved, fried and roasted samples, respectively, whereas esters were the most abundant compounds in raw samples, with mean amounts of 98.8AU×10(6)/g dry matter. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. Deposit formation in liquid fuels. III - The effect of selected nitrogen compounds on diesel fuel

    NASA Technical Reports Server (NTRS)

    Worstell, J. H.; Daniel, S. R.; Frauenhoff, G.

    1981-01-01

    The influence of substituted quinolines, pyrroles, indoles, and pyridines on deposit formation in a diesel fuel is evaluated. Significant increases in deposition rate are found which are dependent upon the basicity of the nitrogen compound within a given compound class. These effects correspond closely with those produced in a Jet A fuel. Removal of highly polar fuel components renders the nitrogen compound influence inoperative. These components are therefore participants in deposit-forming reactions.

  2. Novel inhibitors of HIV discovered among existing classes of pharmaceutical compounds indicated for unrelated clinical indications.

    PubMed

    Kucherov, I I; Rytik, P G; Podol'skaya, I A; Mistryukova, L O; Korjev, M O

    2009-01-01

    In vitro screening of 307 drugs with various clinical indications (cardiotropic, neurotropic, antibacterial, etc.) has revealed 6 compounds which displayed remarkable antiretroviral activity. Three of these drugs had a tendency to have undesirable side effects and were thus excluded from further consideration. Remaining three, i.e., Xantinol Nicotinate, Tardiferon, and Trental may become valid candidates for inclusion into antiviral regimens such as HAART. In vitro tests have shown that xantinol and trental display synergistic effect with azidothymidine, inhibit the replication AZT-resistant strains of HIV, and have no competing undesirable activities. These compounds should be evaluated in safety studies to determine optimal doses for patients with HIV. If these studies confirm in vitro results these compounds may become valid candidates as safe and affordable means to be added into the arsenal of antiretroviral drugs.

  3. Year-class formation of upper St. Lawrence River northern pike

    USGS Publications Warehouse

    Smith, B.M.; Farrell, J.M.; Underwood, H.B.; Smith, S.J.

    2007-01-01

    Variables associated with year-class formation in upper St. Lawrence River northern pike Esox lucius were examined to explore population trends. A partial least-squares (PLS) regression model (PLS 1) was used to relate a year-class strength index (YCSI; 1974-1997) to explanatory variables associated with spawning and nursery areas (seasonal water level and temperature and their variability, number of ice days, and last day of ice presence). A second model (PLS 2) incorporated four additional ecological variables: potential predators (abundance of double-crested cormorants Phalacrocorax auritus and yellow perch Perca flavescens), female northern pike biomass (as a measure of stock-recruitment effects), and total phosphorus (productivity). Trends in adult northern pike catch revealed a decline (1981-2005), and year-class strength was positively related to catch per unit effort (CPUE; R2 = 0.58). The YCSI exceeded the 23-year mean in only 2 of the last 10 years. Cyclic patterns in the YCSI time series (along with strong year-classes every 4-6 years) were apparent, as was a dampening effect of amplitude beginning around 1990. The PLS 1 model explained over 50% of variation in both explanatory variables and the dependent variable, YCSI first-order moving-average residuals. Variables retained (N = 10; Wold's statistic ??? 0.8) included negative YCSI associations with high summer water levels, high variability in spring and fall water levels, and variability in fall water temperature. The YCSI exhibited positive associations with high spring, summer, and fall water temperature, variability in spring temperature, and high winter and spring water level. The PLS 2 model led to positive YCSI associations with phosphorus and yellow perch CPUE and a negative correlation with double-crested cormorant abundance. Environmental variables (water level and temperature) are hypothesized to regulate northern pike YCSI cycles, and dampening in YCSI magnitude may be related to a

  4. Water-soluble organic compounds in PM2.5 and size-segregated aerosols over Mount Tai in North China Plain

    NASA Astrophysics Data System (ADS)

    Wang, Gehui; Kawamura, Kimitaka; Umemoto, Nobuhiko; Xie, Mingjie; Hu, Shuyuan; Wang, Zifa

    2009-10-01

    Daytime and nighttime PM2.5 samples were collected at the summit of Mount Tai (1534 m) located in North China Plain during a week in 2006 summer. Size-segregated aerosol particles were also collected using an eight-stage impactor during the same period. Samples were analyzed for various water-soluble organic compounds using GC/FID and GC/MS techniques. Among the species identified in PM2.5 samples, dicarboxylic acids (C2-C11) were found as the most abundant compound class, followed by ketocarboxylic acids, saccharides, polyols and polyacids, and dicarbonyls. Daytime concentrations of most compounds were found to be 2-3 times higher than in nighttime. Such a diurnal variation was first interpreted by the depressed transport of pollutants in nighttime from the lowlands to the mountaintop owing to the decreased heights of planetary boundary layer, and second by the photochemical production in daytime. The diurnal variation trends of secondary organic aerosols (SOA) such as diacids at the mountain site are the same as those on lowlands, but the diurnal patterns of primary organic aerosols (POA) on the mountaintop are in contrast to those on lowlands, where POA such as saccharides and polyols are usually higher in nighttime owing to the accumulation within inversion layer developed. The eight-stage impactor samples showed bimodal distributions of diacids and related compounds peaking at size ranges of 0.70-1.1 μm and 5.8-9.0 μm. In the present study, water-soluble organics in the fine mode are largely originated from biomass burning and/or photooxidation of gaseous precursors and the subsequent adsorption on the preexisting particles, whereas those in the coarse mode are mainly derived from suspended soil particles and pollens and in part via the hygroscopic growth of fine particles and formation of cloud/fog droplets.

  5. Sunlight creates oxygenated species in water-soluble fractions of Deepwater Horizon oil.

    PubMed

    Ray, Phoebe Z; Chen, Huan; Podgorski, David C; McKenna, Amy M; Tarr, Matthew A

    2014-09-15

    In order to assess the impact of sunlight on oil fate, Macondo well oil from the Deepwater Horizon (DWH) rig was mixed with pure water and irradiated with simulated sunlight. After irradiation, the water-soluble organics (WSO) from the dark and irradiated samples were extracted and characterized by ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Liquid-liquid extraction yielded two fractions from dark and irradiated water/oil mixtures: acidic WSOs (negative-ion electrospray (ESI)), and base/neutral WSOs (positive-ion ESI) coupled to FT-ICR MS to catalog molecular-level transformations that occur to Macondo-derived WSOs after solar irradiation. Such direct measure of oil phototransformation has not been previously reported. The most abundant heteroatom class detected in the irradiated WSO acid fractions correspond to molecules that contain five oxygens (O5), while the most abundant acids in the dark samples contain two oxygen atoms per molecule (O2). Higher-order oxygen classes (O5-O9) were abundant in the irradiated samples, but <1.5% relative abundance in the dark sample. The increased abundance of higher-order oxygen classes in the irradiated samples relative to the dark samples indicates that photooxidized components of the Macondo crude oil become water-soluble after irradiation. The base/neutral fraction showed decreased abundance of pyridinic nitrogen (N1) concurrent with an increased abundance of N1Ox classes after irradiation. The predominance of higher-order oxygen classes indicates that multiple photochemical pathways exist that result in oxidation of petroleum compounds. Copyright © 2014 Elsevier B.V. All rights reserved.

  6. Generation, Validation, and Application of Abundance Map Reference Data for Spectral Unmixing

    NASA Astrophysics Data System (ADS)

    Williams, McKay D.

    Reference data ("ground truth") maps traditionally have been used to assess the accuracy of imaging spectrometer classification algorithms. However, these reference data can be prohibitively expensive to produce, often do not include sub-pixel abundance estimates necessary to assess spectral unmixing algorithms, and lack published validation reports. Our research proposes methodologies to efficiently generate, validate, and apply abundance map reference data (AMRD) to airborne remote sensing scenes. We generated scene-wide AMRD for three different remote sensing scenes using our remotely sensed reference data (RSRD) technique, which spatially aggregates unmixing results from fine scale imagery (e.g., 1-m Ground Sample Distance (GSD)) to co-located coarse scale imagery (e.g., 10-m GSD or larger). We validated the accuracy of this methodology by estimating AMRD in 51 randomly-selected 10 m x 10 m plots, using seven independent methods and observers, including field surveys by two observers, imagery analysis by two observers, and RSRD using three algorithms. Results indicated statistically-significant differences between all versions of AMRD, suggesting that all forms of reference data need to be validated. Given these significant differences between the independent versions of AMRD, we proposed that the mean of all (MOA) versions of reference data for each plot and class were most likely to represent true abundances. We then compared each version of AMRD to MOA. Best case accuracy was achieved by a version of imagery analysis, which had a mean coverage area error of 2.0%, with a standard deviation of 5.6%. One of the RSRD algorithms was nearly as accurate, achieving a mean error of 3.0%, with a standard deviation of 6.3%, showing the potential of RSRD-based AMRD generation. Application of validated AMRD to specific coarse scale imagery involved three main parts: 1) spatial alignment of coarse and fine scale imagery, 2) aggregation of fine scale abundances to produce

  7. Repellent properties of the host compound 4-allylanisole to the southern pine beetle

    Treesearch

    Jane Leslie Hayes; Brian L. Strom; Larry M. Roton; Leonard L. Ingram

    1994-01-01

    The phenylpropanoid 4-allylanisole is a compound produced by loblolly pines (Pinus taeda L.), an abundant species in southern pine forests and a preferred host of southern pine beetle (Dendroctonus frontalis Zimmermann).Repellency of individual beetles was demonstrated in laboratory behavioral assays of D. frontalis and other scolytids.Inhibition was...

  8. Functionalised isocoumarins as antifungal compounds: Synthesis and biological studies.

    PubMed

    Simic, Milena; Paunovic, Nikola; Boric, Ivan; Randjelovic, Jelena; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Pekmezovic, Marina; Savic, Vladimir

    2016-01-01

    A series of novel 3-substituted isocoumarins was prepared via Pd-catalysed coupling processes and screened in vitro for antifungal activity against Candida species. The study revealed antifungal potential of isocoumarins possessing the azole substituents, which, in some cases, showed biological properties equal to those of clinically used voriconazole. Selected compounds were also screened against voriconazole resistant Candida krusei 6258 and a clinical isolate Candida parapsilosis CA-27. Although the activity against these targets needs to be improved further, the results emphasise additional potential of this new class of antifungal compounds. Copyright © 2015 Elsevier Ltd. All rights reserved.

  9. Evaluation of organic compounds and trace elements in Amazon Creek Basin, Oregon, September 1990

    USGS Publications Warehouse

    Rinella, F.A.

    1993-01-01

    Water and bottom sediment were collected from Amazon Creek, Oregon during a summer low-flow condition and analyzed for different classes of organic compounds, including many from the U.S. Environmental Protection Agency's priority pollutant list. Bottom sediment also was analyzed for trace elements typically associated with urban runoff. Trace-element concentrations in the less than 63 micrometer fraction of Amazon Creek bottom-sediment samples were compared with baseline concentrations (expected 95 percent confidence range) for soils from the Western United States and with concen- trations found in bottom sediment from the Willamette River Basin. Total-digestion concentrations of antimony, arsenic, cadmium, chromium, cobalt, copper, lead, manganese, mercury, nickel, silver, titanium, and zinc were enriched at some or all sites sampled. Whole-water samples from some sites contained concentrations of several chlorophenoxy-acid herbicides, the organophosphorus insecticide diazinon, and several semivolatile priority pollutants. Classes of compounds not detected in whole-water samples included carbamate insecticides, triazine and other nitrogen-containing herbicides, and purgeable organic compounds. Bottom-sediment samples contained many organochlorine compounds, including chlordane, DDT plus metabolites, dieldrin, endrin, heptachlor epoxide (a metabolite of heptachlor), and PCBs at some or all sites sampled. Twenty-four of 54 semivolatile compounds were detected in bottom- sediment samples at some or all sites sampled.

  10. The Abundance of Pink-Pigmented Facultative Methylotrophs in the Root Zone of Plant Species in Invaded Coastal Sage Scrub Habitat

    PubMed Central

    Irvine, Irina C.; Brigham, Christy A.; Suding, Katharine N.; Martiny, Jennifer B. H.

    2012-01-01

    Pink-pigmented facultative methylotrophic bacteria (PPFMs) are associated with the roots, leaves and seeds of most terrestrial plants and utilize volatile C1 compounds such as methanol generated by growing plants during cell division. PPFMs have been well studied in agricultural systems due to their importance in crop seed germination, yield, pathogen resistance and drought stress tolerance. In contrast, little is known about the PPFM abundance and diversity in natural ecosystems, let alone their interactions with non-crop species. Here we surveyed PPFM abundance in the root zone soil of 5 native and 5 invasive plant species along ten invasion gradients in Southern California coastal sage scrub habitat. PPFMs were present in every soil sample and ranged in abundance from 102 to 105 CFU/g dry soil. This abundance varied significantly among plant species. PPFM abundance was 50% higher in the root zones of annual or biennial species (many invasives) than perennial species (all natives). Further, PPFM abundance appears to be influenced by the plant community beyond the root zone; pure stands of either native or invasive species had 50% more PPFMs than mixed species stands. In sum, PPFM abundance in the root zone of coastal sage scrub plants is influenced by both the immediate and surrounding plant communities. The results also suggest that PPFMs are a good target for future work on plant-microorganism feedbacks in natural ecosystems. PMID:22383990

  11. The abundance of pink-pigmented facultative methylotrophs in the root zone of plant species in invaded coastal sage scrub habitat.

    PubMed

    Irvine, Irina C; Brigham, Christy A; Suding, Katharine N; Martiny, Jennifer B H

    2012-01-01

    Pink-pigmented facultative methylotrophic bacteria (PPFMs) are associated with the roots, leaves and seeds of most terrestrial plants and utilize volatile C(1) compounds such as methanol generated by growing plants during cell division. PPFMs have been well studied in agricultural systems due to their importance in crop seed germination, yield, pathogen resistance and drought stress tolerance. In contrast, little is known about the PPFM abundance and diversity in natural ecosystems, let alone their interactions with non-crop species. Here we surveyed PPFM abundance in the root zone soil of 5 native and 5 invasive plant species along ten invasion gradients in Southern California coastal sage scrub habitat. PPFMs were present in every soil sample and ranged in abundance from 10(2) to 10(5) CFU/g dry soil. This abundance varied significantly among plant species. PPFM abundance was 50% higher in the root zones of annual or biennial species (many invasives) than perennial species (all natives). Further, PPFM abundance appears to be influenced by the plant community beyond the root zone; pure stands of either native or invasive species had 50% more PPFMs than mixed species stands. In sum, PPFM abundance in the root zone of coastal sage scrub plants is influenced by both the immediate and surrounding plant communities. The results also suggest that PPFMs are a good target for future work on plant-microorganism feedbacks in natural ecosystems.

  12. Transcriptome discovery in non-model wild fish species for the development of quantitative transcript abundance assays

    USGS Publications Warehouse

    Hahn, Cassidy M.; Iwanowicz, Luke R.; Cornman, Robert S.; Mazik, Patricia M.; Blazer, Vicki S.

    2016-01-01

    Environmental studies increasingly identify the presence of both contaminants of emerging concern (CECs) and legacy contaminants in aquatic environments; however, the biological effects of these compounds on resident fishes remain largely unknown. High throughput methodologies were employed to establish partial transcriptomes for three wild-caught, non-model fish species; smallmouth bass (Micropterus dolomieu), white sucker (Catostomus commersonii) and brown bullhead (Ameiurus nebulosus). Sequences from these transcriptome databases were utilized in the development of a custom nCounter CodeSet that allowed for direct multiplexed measurement of 50 transcript abundance endpoints in liver tissue. Sequence information was also utilized in the development of quantitative real-time PCR (qPCR) primers. Cross-species hybridization allowed the smallmouth bass nCounter CodeSet to be used for quantitative transcript abundance analysis of an additional non-model species, largemouth bass (Micropterus salmoides). We validated the nCounter analysis data system with qPCR for a subset of genes and confirmed concordant results. Changes in transcript abundance biomarkers between sexes and seasons were evaluated to provide baseline data on transcript modulation for each species of interest.

  13. Rational Design Synthesis and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    R Daher; M Coincon; M Fonvielle

    2011-12-31

    We report the synthesis and biochemical evaluation of several selective inhibitors of class II (zinc dependent) fructose bis-phosphate aldolases (Fba). The products were designed as transition-state analogues of the catalyzed reaction, structurally related to the substrate fructose bis-phosphate (or sedoheptulose bis-phosphate) and based on an N-substituted hydroxamic acid, as a chelator of the zinc ion present in active site. The compounds synthesized were tested on class II Fbas from various pathogenic microorganisms and, by comparison, on a mammalian class I Fba. The best inhibitor shows Ki against class II Fbas from various pathogens in the nM range, with very highmore » selectivity (up to 105). Structural analyses of inhibitors in complex with aldolases rationalize and corroborate the enzymatic kinetics results. These inhibitors represent lead compounds for the preparation of new synthetic antibiotics, notably for tuberculosis prophylaxis.« less

  14. A Butter Aroma Recombinate Activates Human Class-I Odorant Receptors.

    PubMed

    Geithe, Christiane; Andersen, Gaby; Malki, Agne; Krautwurst, Dietmar

    2015-11-04

    With ∼400 olfactory G protein-coupled receptors (GPCR), humans sensitively perceive ∼230 key aroma compounds as best natural agonists of ∼10000 food volatiles. An understanding of odorant coding, thus, critically depends on the knowledge about interactions of key food aroma chemicals and their mixtures with their cognate receptors. Genetically designed test cell systems enable the screening, deorphaning, and characterization of single odorant receptors (OR). This study shows for the food aroma-specific and quantitative butter aroma recombinate, and its single components, specific in vitro class-I OR activity patterns, as well as the activation of selected OR in a concentration-dependent manner. Recently, chemosensory receptors, especially class-I OR, were demonstrated to be expressed on blood leukocytes, which may encounter foodborne aroma compounds postprandially. This study shows that butter aroma recombinate induced chemotaxis of isolated human neutrophils in a defined gradient, and in a concentration-dependent and pertussis toxin-sensitive manner, suggesting at least a GPCR-mediated activation of blood leukocytes by key food odorants.

  15. Antimicrobial azobenzene compounds and their potential use in biomaterials

    NASA Astrophysics Data System (ADS)

    Sessa, L.; Concilio, S.; Iannelli, P.; De Santis, F.; Porta, A.; Piotto, S.

    2016-04-01

    We recently synthesized a class of active compounds with azobenzene structure [1] and lowest in silico toxicity values. The antimicrobial activity of these molecules and their thermal stability are very promising and indicate that they may have interesting and therapeutically significant applications. This work aims to develop new materials with antibacterial and antifungal activity inserting different percentages of synthetic antimicrobial azo compounds in commercial polymer matrices. We realized thin films using solvent casting and melt compounding techniques. The obtained materials retained the proprieties of the pure matrices. This means that azo dye dissolved in the matrix does not influence the thermal behavior and the morphology of the material. Tested films exhibited the capability to inhibit biofilms formation of S. aureus and C. albicans. Spectrophotometric investigation of the azo compound released from the polymer matrices confirmed that the realized materials might be interesting for biomedical tools, antibacterial surfaces, and films for active packaging.

  16. Abundance and distribution of microplastics within surface sediments of a key shellfish growing region of Canada

    PubMed Central

    Kazmiruk, T. N.; Kazmiruk, V. D.

    2018-01-01

    The abundance and distribution of microplastics within 5 sediment size classes (>5000 μm, 1000–5000 μm, 250–1000 μm, 250–0.63 μm and < 0.63 μm) were determined for 16 sites within Lambert Channel and Baynes Sound, British Columbia, Canada. This region is Canada’s premier growing area for the Pacific oyster (Crassostrea gigas). Microplastics were found at all sampling locations indicating widespread contamination of this region with these particles. Three types of microplastics were recovered: microbeads, which occurred in the greatest number (up to 25000/kg dry sediment) and microfibers and microfragments, which were much less in number compared with microbeads and occurred in similar amounts (100–300/kg dry sediment). Microbeads were recovered primarily in the < 0.63 μm and 250–0.63 μm sediment size class, whereas microfragments and microfibers were generally identified in all 5 sediment size classes. Abundance and distribution of the three types of microplastics were spatially dependent with principal component analysis (PCA) indicating that 84 percent of the variation in abundance and distribution was due to the presence of high numbers of microbeads at three locations within the study region. At these sites, microbeads expressed as a percent component of the sediment by weight was similar to key geochemical components that govern trace metal behavior and availability to benthic organisms. Microbeads have been shown to accumulate metals from the aquatic environment, hence in addition to the traditional geochemical components such as silt and organic matter, microplastics also need to be considered as a sediment component that can influence trace metal geochemistry. Our findings have shown that BC’s premier oyster growing region is highly contaminated with microplastics, notably microbeads. It would be prudent to assess the degree to which oysters from this region are ingesting microplastics. If so, it would have direct implications for

  17. New Linear Partitioning Models Based on Experimental Water: Supercritical CO2 Partitioning Data of Selected Organic Compounds.

    PubMed

    Burant, Aniela; Thompson, Christopher; Lowry, Gregory V; Karamalidis, Athanasios K

    2016-05-17

    Partitioning coefficients of organic compounds between water and supercritical CO2 (sc-CO2) are necessary to assess the risk of migration of these chemicals from subsurface CO2 storage sites. Despite the large number of potential organic contaminants, the current data set of published water-sc-CO2 partitioning coefficients is very limited. Here, the partitioning coefficients of thiophene, pyrrole, and anisole were measured in situ over a range of temperatures and pressures using a novel pressurized batch-reactor system with dual spectroscopic detectors: a near-infrared spectrometer for measuring the organic analyte in the CO2 phase and a UV detector for quantifying the analyte in the aqueous phase. Our measured partitioning coefficients followed expected trends based on volatility and aqueous solubility. The partitioning coefficients and literature data were then used to update a published poly parameter linear free-energy relationship and to develop five new linear free-energy relationships for predicting water-sc-CO2 partitioning coefficients. A total of four of the models targeted a single class of organic compounds. Unlike models that utilize Abraham solvation parameters, the new relationships use vapor pressure and aqueous solubility of the organic compound at 25 °C and CO2 density to predict partitioning coefficients over a range of temperature and pressure conditions. The compound class models provide better estimates of partitioning behavior for compounds in that class than does the model built for the entire data set.

  18. New Linear Partitioning Models Based on Experimental Water: Supercritical CO 2 Partitioning Data of Selected Organic Compounds

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Burant, Aniela; Thompson, Christopher; Lowry, Gregory V.

    2016-05-17

    Partitioning coefficients of organic compounds between water and supercritical CO2 (sc-CO2) are necessary to assess the risk of migration of these chemicals from subsurface CO2 storage sites. Despite the large number of potential organic contaminants, the current data set of published water-sc-CO2 partitioning coefficients is very limited. Here, the partitioning coefficients of thiophene, pyrrole, and anisole were measured in situ over a range of temperatures and pressures using a novel pressurized batch reactor system with dual spectroscopic detectors: a near infrared spectrometer for measuring the organic analyte in the CO2 phase, and a UV detector for quantifying the analyte inmore » the aqueous phase. Our measured partitioning coefficients followed expected trends based on volatility and aqueous solubility. The partitioning coefficients and literature data were then used to update a published poly-parameter linear free energy relationship and to develop five new linear free energy relationships for predicting water-sc-CO2 partitioning coefficients. Four of the models targeted a single class of organic compounds. Unlike models that utilize Abraham solvation parameters, the new relationships use vapor pressure and aqueous solubility of the organic compound at 25 °C and CO2 density to predict partitioning coefficients over a range of temperature and pressure conditions. The compound class models provide better estimates of partitioning behavior for compounds in that class than the model built for the entire dataset.« less

  19. Differential cytokine modulation and T cell activation by two distinct classes of thalidomide analogues that are potent inhibitors of TNF-alpha.

    PubMed

    Corral, L G; Haslett, P A; Muller, G W; Chen, R; Wong, L M; Ocampo, C J; Patterson, R T; Stirling, D I; Kaplan, G

    1999-07-01

    TNF-alpha mediates both protective and detrimental manifestations of the host immune response. Our previous work has shown thalidomide to be a relatively selective inhibitor of TNF-alpha production in vivo and in vitro. Additionally, we have recently reported that thalidomide exerts a costimulatory effect on T cell responses. To develop thalidomide analogues with increased anti-TNF-alpha activity and reduced or absent toxicities, novel TNF-alpha inhibitors were designed and synthesized. When a selected group of these compounds was examined for their immunomodulatory activities, different patterns of cytokine modulation were revealed. The tested compounds segregated into two distinct classes: one class of compounds, shown to be potent phosphodiesterase 4 inhibitors, inhibited TNF-alpha production, increased IL-10 production by LPS-induced PBMC, and had little effect on T cell activation; the other class of compounds, similar to thalidomide, were not phosphodiesterase 4 inhibitors and markedly stimulated T cell proliferation and IL-2 and IFN-gamma production. These compounds inhibited TNF-alpha, IL-1beta, and IL-6 and greatly increased IL-10 production by LPS-induced PBMC. Similar to thalidomide, the effect of these agents on IL-12 production was dichotomous; IL-12 was inhibited when PBMC were stimulated with LPS but increased when cells were stimulated by cross-linking the TCR. The latter effect was associated with increased T cell CD40 ligand expression. The distinct immunomodulatory activities of these classes of thalidomide analogues may potentially allow them to be used in the clinic for the treatment of different immunopathological disorders.

  20. A hybrid method for prediction and repositioning of drug Anatomical Therapeutic Chemical classes.

    PubMed

    Chen, Lei; Lu, Jing; Zhang, Ning; Huang, Tao; Cai, Yu-Dong

    2014-04-01

    In the Anatomical Therapeutic Chemical (ATC) classification system, therapeutic drugs are divided into 14 main classes according to the organ or system on which they act and their chemical, pharmacological and therapeutic properties. This system, recommended by the World Health Organization (WHO), provides a global standard for classifying medical substances and serves as a tool for international drug utilization research to improve quality of drug use. In view of this, it is necessary to develop effective computational prediction methods to identify the ATC-class of a given drug, which thereby could facilitate further analysis of this system. In this study, we initiated an attempt to develop a prediction method and to gain insights from it by utilizing ontology information of drug compounds. Since only about one-fourth of drugs in the ATC classification system have ontology information, a hybrid prediction method combining the ontology information, chemical interaction information and chemical structure information of drug compounds was proposed for the prediction of drug ATC-classes. As a result, by using the Jackknife test, the 1st prediction accuracies for identifying the 14 main ATC-classes in the training dataset, the internal validation dataset and the external validation dataset were 75.90%, 75.70% and 66.36%, respectively. Analysis of some samples with false-positive predictions in the internal and external validation datasets indicated that some of them may even have a relationship with the false-positive predicted ATC-class, suggesting novel uses of these drugs. It was conceivable that the proposed method could be used as an efficient tool to identify ATC-classes of novel drugs or to discover novel uses of known drugs.

  1. Critical dependence of magnetostructural coupling and magnetocaloric effect on particle size in Mn-Fe-Ni-Ge compounds

    PubMed Central

    Wu, Rongrong; Shen, Feiran; Hu, Fengxia; Wang, Jing; Bao, Lifu; Zhang, Lei; Liu, Yao; Zhao, Yingying; Liang, Feixiang; Zuo, Wenliang; Sun, Jirong; Shen, Baogen

    2016-01-01

    Magnetostructural coupling, which is the coincidence of crystallographic and magnetic transition, has obtained intense attention for its abundant magnetoresponse effects and promising technological applications, such as solid-state refrigeration, magnetic actuators and sensors. The hexagonal Ni2In-type compounds have attracted much attraction due to the strong magnetostructural coupling and the resulted giant negative thermal expansion and magnetocaloric effect. However, the as-prepared samples are quite brittle and naturally collapse into powders. Here, we report the effect of particle size on the magnetostructural coupling and magnetocaloric effect in the Ni2In-type Mn-Fe-Ni-Ge compound, which undergoes a large lattice change across the transformation from paramagnetic austenite to ferromagnetic martensite. The disappearance of martensitic transformation in a large amount of austenitic phase with reducing particle size, to our best knowledge, has not been reported up to now. The ratio can be as high as 40.6% when the MnNi0.8Fe0.2Ge bulk was broken into particles in the size range of 5~15 μm. Meanwhile, the remained magnetostructural transition gets wider and the magnetic hysteresis becomes smaller. As a result, the entropy change drops, but the effective cooling power RCeffe increases and attains to the maximum at particles in the range of 20~40 μm. These observations provide constructive information and highly benefit practical applications for this class of novel magnetoresponse materials. PMID:26883719

  2. Detecting declines in the abundance of a bull trout (Salvelinus confluentus) population: Understanding the accuracy, precision, and costs of our efforts

    USGS Publications Warehouse

    Al-Chokhachy, R.; Budy, P.; Conner, M.

    2009-01-01

    Using empirical field data for bull trout (Salvelinus confluentus), we evaluated the trade-off between power and sampling effort-cost using Monte Carlo simulations of commonly collected mark-recapture-resight and count data, and we estimated the power to detect changes in abundance across different time intervals. We also evaluated the effects of monitoring different components of a population and stratification methods on the precision of each method. Our results illustrate substantial variability in the relative precision, cost, and information gained from each approach. While grouping estimates by age or stage class substantially increased the precision of estimates, spatial stratification of sampling units resulted in limited increases in precision. Although mark-resight methods allowed for estimates of abundance versus indices of abundance, our results suggest snorkel surveys may be a more affordable monitoring approach across large spatial scales. Detecting a 25% decline in abundance after 5 years was not possible, regardless of technique (power = 0.80), without high sampling effort (48% of study site). Detecting a 25% decline was possible after 15 years, but still required high sampling efforts. Our results suggest detecting moderate changes in abundance of freshwater salmonids requires considerable resource and temporal commitments and highlight the difficulties of using abundance measures for monitoring bull trout populations.

  3. Immunoaffinity capillary electrophoresis as a powerful strategy for the quantification of low-abundance biomarkers, drugs, and metabolites in biological matrices

    PubMed Central

    Guzman, Norberto A.; Blanc, Timothy; Phillips, Terry M.

    2009-01-01

    In the last few years, there has been a greater appreciation by the scientific community of how separation science has contributed to the advancement of biomedical research. Despite past contributions in facilitating several biomedical breakthroughs, separation sciences still urgently need the development of improved methods for the separation and detection of biological and chemical substances. In particular, the challenging task of quantifying small molecules and biomolecules, found in low abundance in complex matrices (e.g., serum), is a particular area in need of new high-efficiency techniques. The tandem or on-line coupling of highly selective antibody capture agents with the high-resolving power of CE is being recognized as a powerful analytical tool for the enrichment and quantification of ultra-low abundance analytes in complex matrices. This development will have a significant impact on the identification and characterization of many putative biomarkers and on biomedical research in general. Immunoaffinity CE (IACE) technology is rapidly emerging as the most promising method for the analysis of low-abundance biomarkers; its power comes from a three-step procedure: (i) bioselective adsorption and (ii) subsequent recovery of compounds from an immobilized affinity ligand followed by (iii) separation of the enriched compounds. This technology is highly suited to automation and can be engineered to as a multiplex instrument capable of routinely performing hundreds of assays per day. Furthermore, a significant enhancement in sensitivity can be achieved for the purified and enriched affinity targeted analytes. Thus, a compound that exists in a complex biological matrix at a concentration far below its LOD is easily brought to well within its range of quantification. The present review summarizes several applications of IACE, as well as a chronological description of the improvements made in the fabrication of the analyte concentrator-microreactor device leading

  4. Anaerobic Degradation of Chloroaromatic Compounds in Aquatic Sediments under a Variety of Enrichment Conditions †

    PubMed Central

    Genthner, Barbara R. Sharak; Price, W. Allen; Pritchard, P. H.

    1989-01-01

    Anaerobic degradation of monochlorophenols and monochlorobenzoates in a variety of aquatic sediments was compared under four enrichment conditions. A broader range of compounds was degraded in enrichments inoculated with sediment exposed to industrial effluents. Degradation of chloroaromatic compounds was observed most often in methanogenic enrichments and in enrichments amended with 1 mM bromoethane sulfonic acid. Degradation was observed least often in enrichments with added nitrate or sulfate. The presence of 10 mM bromoethane sulfonic acid prevented or inhibited degradation of most compounds tested. Primary enrichments in which KNO3 was periodically replenished to maintain enrichment characteristics degraded chlorobenzoates, but not chlorophenols. In contrast, primary enrichments in which Na2SO4 was periodically replenished failed to degrade any chloroaromatic compounds. Upon transfer to fresh medium, none of the sulfate enrichments required the presence of Na2SO4 for degradation, while only two nitrate enrichments required the presence of KNO3 for degradation. As a class of compounds, chlorophenols were degraded more readily than chlorobenzoates. However, as individual compounds 3-chlorobenzoate, 2-chlorophenol, and 3-chlorophenol degradation was observed most often and with an equal frequency. Within the chlorophenol class, the relative order of degradability was ortho > meta > para, while that of chlorobenzoates was meta > ortho > para, In laboratory transfers, 2-chlorobenzoate, 3-chlorobenzoate, and 2-chlorophenol degradation was most easily maintained, while degradation of para-chlorinated compounds was very difficult to maintain. PMID:16347940

  5. Screen of FDA-approved drug library reveals compounds that protect hair cells from aminoglycosides and cisplatin

    PubMed Central

    Vlasits, Anna L.; Simon, Julian A.; Raible, David W.; Rubel, Edwin W; Owens, Kelly N.

    2012-01-01

    Loss of mechanosensory hair cells in the inner ear accounts for many hearing loss and balance disorders. Several beneficial pharmaceutical drugs cause hair cell death as a side effect. These include aminoglycoside antibiotics, such as neomycin, kanamycin and gentamicin, and several cancer chemotherapy drugs, such as cisplatin. Discovering new compounds that protect mammalian hair cells from toxic insults is experimentally difficult because of the inaccessibility of the inner ear. We used the zebrafish lateral line sensory system as an in vivo screening platform to survey a library of FDA-approved pharmaceuticals for compounds that protect hair cells from neomycin, gentamicin, kanamycin and cisplatin. Ten compounds were identified that provide protection from at least two of the four toxins. The resulting compounds fall into several drug classes, including serotonin and dopamine-modulating drugs, adrenergic receptor ligands, and estrogen receptor modulators. The protective compounds show different effects against the different toxins, supporting the idea that each toxin causes hair cell death by distinct, but partially overlapping, mechanisms. Furthermore, some compounds from the same drug classes had different protective properties, suggesting that they might not prevent hair cell death by their known target mechanisms. Some protective compounds blocked gentamicin uptake into hair cells, suggesting that they may block mechanotransduction or other routes of entry. The protective compounds identified in our screen will provide a starting point for studies in mammals as well as further research discovering the cellular signaling pathways that trigger hair cell death. PMID:22967486

  6. Carbon abundances, major element chemistry, and mineralogy of hydrated interplanetary dust particles

    NASA Technical Reports Server (NTRS)

    Keller, L. P.; Thomas, K. L.; Mckay, D. S.

    1993-01-01

    Hydrated interplanetary dust particles (IDP's) comprise a major fraction of the interplanetary dust particles collected in the stratosphere. While much is known about the mineralogy and chemistry of hydrated IDP's, little is known about the C abundance in this class of IDP's, the nature of the C-bearing phases, and how the C abundance is related to other physical properties of hydrated IDP's. Bulk compositional data (including C and O) for 11 hydrated IDP's that were subsequently examined by the transition electron microscopy (TEM) to determine their mineralogy and mineral chemistry are reported. Our analysis indicates that these hydrated IDP's are strongly enriched in C relative to the most C-rich meteorites. The average abundance of C in these hydrated IDP's is 4X CI chondrite values. The bulk compositions (including C and O) of 11 hydrated IDP's were determined by thin-window, energy-dispersive x ray (EDX) spectroscopy of the uncoated IDP's on Be substrates in the scanning electron microscopy (SEM). As a check on our C measurements, one of the IDP's (L2006H5) was embedded in glassy S, and microtome thin sections were prepared and placed onto Be substrates. Thin-film EDX analyses of multiple thin sections of L2006H5 show good agreement with the bulk value determined in the SEM. Following EDX analysis, the mineralogy and mineral chemistry of each IDP was determined by analyzing ultramicrotome thin sections in a TEM equipped with an EDX spectrometer.

  7. Quantitative determination of secoiridoid and gamma-pyrone compounds in Gentiana lutea cultured in vitro.

    PubMed

    Menković, N; Savikin-Fodulović, K; Momcilović, I; Grubisić, D

    2000-02-01

    The production of secondary metabolites was studied in shoots, roots, and hairy roots of Gentiana lutea obtained in vitro. In shoots, both secoiridoid and gamma-pyrone compounds were detected in amounts similar to those found in aerial parts of plants collected from nature. The most abundant secoiridoid was gentiopicrin while mangiferin was the main compound among the gamma-pyrones. The adventitious roots obtained in vitro showed a poor biosynthetic capacity. Upon infection with Agrobacterium rhizogenes, nine hairy root clones were established which differed in the amount of secondary metabolites.

  8. Outdoor passive air monitoring of semi volatile organic compounds (SVOCs): a critical evaluation of performance and limitations of polyurethane foam (PUF) disks.

    PubMed

    Bohlin, P; Audy, O; Škrdlíková, L; Kukučka, P; Přibylová, P; Prokeš, R; Vojta, Š; Klánová, J

    2014-03-01

    The most commonly used passive air sampler (PAS) (i.e. polyurethane foam (PUF) disk) is cheap, versatile, and capable of accumulating compounds present both in gas and particle phases. Its performance for particle associated compounds is however disputable. In this study, twelve sets of triplicate PUF-PAS were deployed outdoors for exposure periods of 1-12 weeks together with continuously operated active samplers, to characterize sampling efficiency and derive sampling rates (RS) for compounds belonging to 7 SVOC classes (including particle associated compounds). PUF-PAS efficiently and consistently sampled polychlorinated biphenyls (PCBs), organochlorine pesticides (OCPs), polycyclic aromatic hydrocarbons (PAHs), and eight novel brominated flame retardant (nBFR) compounds. Low accuracy and lack of sensitivity was observed for most polychlorinated dibenzo-p-dioxins/furans PCDD/Fs and polybrominated diphenyl ethers (PBDEs) (under the conditions of this study), with the exception of some congeners which may be used as qualitative markers for their respective classes. Application of compound specific RS was found crucial for all compounds except PCBs. Sampling efficiency of the particle associated compounds was often low.

  9. Meteoritic Constraints on Models of the Solar Nebula: The Abundances of Moderately Volatile Elements

    NASA Technical Reports Server (NTRS)

    Cassen, Patrick; Cuzzi, Jeff (Technical Monitor)

    1994-01-01

    The "moderately volatile" elements are those which condense (or evaporate) in the temperature range 650 - 1350 K, as a mix of material with solar abundances is cooled (or heated) tinder equilibrium conditions. Their relative abundances in chondritic meteorites are solar (or "cosmic", as defined by the composition of Cl meteorites) to within a factor of several, but vary within that range in a way that correlates remarkably well with condensation temperature, independent of chemical affinity. It has been argued that this correlation reflects a systematically selective process which favored the accretion of refractory material over volatile material from a cooling nebula. Wasson and Chou (Meteoritics 9, 69-94, 1974, and Wasson and co-authors in subsequent papers) suggested that condensation and settling of solids contemporaneously with the cooling and removal of nebular gas could produce the observed abundance patterns, but a quantitative model has been lacking. We show that the abundance patterns of the moderately volatile elements in chondritic meteorites can be produced, in some degree of quantitative detail, by models of the solar nebula that are designed to conform to observations of T Tauri stars and the global conservation laws. For example, even if the local surface density of the nebula is not decreasing, condensation and accretion of solids from radially inflowing gas in a cooling nebula can result in depletions of volatiles, relative to refractories, like those observed, The details of the calculated abundance patterns depend on (but are not especially sensitive to) model parameters, and can exhibit the variations that distinguish the meteorite classes. Thus it appears that nebula characteristics such as cooling rates, radial flow velocities, and particle accumulation rates can be quantitatively constrained by demanding that they conform to meteoritic data; and the models, in turn, can produce testable hypotheses regarding the time and location of the

  10. "I'm Strong within Myself": Gender, Class and Emotional Capital in Childcare

    ERIC Educational Resources Information Center

    Andrew, Yarrow

    2015-01-01

    Emotions have received increasing attention in educational circles in the last decade. Drawing on Bourdieu, feminist scholars use emotional capital to illustrate the ways gendered inequalities can compound the disadvantages of social class. This paper examines relationships within childcare services in Australia, showing how emotional capital…

  11. LC-MS analysis of phenolic compounds and antioxidant activity of buckwheat at different stages of malting.

    PubMed

    Terpinc, Petra; Cigić, Blaž; Polak, Tomaž; Hribar, Janez; Požrl, Tomaž

    2016-11-01

    The impact of malting on the profile of the phenolic compounds and the antioxidant properties of two buckwheat varieties was investigated. The highest relative increases in phenolic compounds were observed for isoorientin, orientin, and isovitexin, which are consequently major inducible phenolic compounds during malting. Only a minor relative increase was observed for the most abundant phenolic compound, rutin. The radical-scavenging activity of buckwheat seeds was evaluated using ABTS and DPPH assays. A considerable increase in total phenolic compounds and higher antioxidant activity were observed after 64h of germination, whereas kilning resulted in decreased total phenolic compounds and antioxidant activity. Higher antioxidant activities for extracts were found for buffered solvents than for pure methanol and water. Changes in the composition of the phenolic compounds and increased antioxidant content were confirmed by several methods, indicating that buckwheat malt can be used as a food rich in antioxidants. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Quantifying the abundance of co-occurring conifers along Inland Northwest (USA) climate gradients.

    PubMed

    Rehfeldt, Gerald E; Ferguson, Dennis E; Crookston, Nicholas L

    2008-08-01

    The occurrence and abundance of conifers along climate gradients in the Inland Northwest (USA) was assessed using data from 5082 field plots, 81% of which were forested. Analyses using the Random Forests classification tree revealed that the sequential distribution of species along an altitudinal gradient could be predicted with reasonable accuracy from a single climate variable, a growing-season dryness index, calculated from the ratio of degree-days >5 degrees C that accumulate in the frost-free season to the summer precipitation. While the appearance and departure of species in an ascending altitudinal sequence were closely related to the dryness index, the departure was most easily visualized in relation to negative degree-days (degree-days < 0 degrees C). The results were in close agreement with the works of descriptive ecologists. A Weibull response function was used to predict from climate variables the abundance and occurrence probabilities of each species, using binned data. The fit of the models was excellent, generally accounting for >90% of the variance among 100 classes.

  13. Linking species abundance distributions in numerical abundance and biomass through simple assumptions about community structure.

    PubMed

    Henderson, Peter A; Magurran, Anne E

    2010-05-22

    Species abundance distributions (SADs) are widely used as a tool for summarizing ecological communities but may have different shapes, depending on the currency used to measure species importance. We develop a simple plotting method that links SADs in the alternative currencies of numerical abundance and biomass and is underpinned by testable predictions about how organisms occupy physical space. When log numerical abundance is plotted against log biomass, the species lie within an approximately triangular region. Simple energetic and sampling constraints explain the triangular form. The dispersion of species within this triangle is the key to understanding why SADs of numerical abundance and biomass can differ. Given regular or random species dispersion, we can predict the shape of the SAD for both currencies under a variety of sampling regimes. We argue that this dispersion pattern will lie between regular and random for the following reasons. First, regular dispersion patterns will result if communities are comprised groups of organisms that use different components of the physical space (e.g. open water, the sea bed surface or rock crevices in a marine fish assemblage), and if the abundance of species in each of these spatial guilds is linked to the way individuals of varying size use the habitat. Second, temporal variation in abundance and sampling error will tend to randomize this regular pattern. Data from two intensively studied marine ecosystems offer empirical support for these predictions. Our approach also has application in environmental monitoring and the recognition of anthropogenic disturbance, which may change the shape of the triangular region by, for example, the loss of large body size top predators that occur at low abundance.

  14. Linking species abundance distributions in numerical abundance and biomass through simple assumptions about community structure

    PubMed Central

    Henderson, Peter A.; Magurran, Anne E.

    2010-01-01

    Species abundance distributions (SADs) are widely used as a tool for summarizing ecological communities but may have different shapes, depending on the currency used to measure species importance. We develop a simple plotting method that links SADs in the alternative currencies of numerical abundance and biomass and is underpinned by testable predictions about how organisms occupy physical space. When log numerical abundance is plotted against log biomass, the species lie within an approximately triangular region. Simple energetic and sampling constraints explain the triangular form. The dispersion of species within this triangle is the key to understanding why SADs of numerical abundance and biomass can differ. Given regular or random species dispersion, we can predict the shape of the SAD for both currencies under a variety of sampling regimes. We argue that this dispersion pattern will lie between regular and random for the following reasons. First, regular dispersion patterns will result if communities are comprised groups of organisms that use different components of the physical space (e.g. open water, the sea bed surface or rock crevices in a marine fish assemblage), and if the abundance of species in each of these spatial guilds is linked to the way individuals of varying size use the habitat. Second, temporal variation in abundance and sampling error will tend to randomize this regular pattern. Data from two intensively studied marine ecosystems offer empirical support for these predictions. Our approach also has application in environmental monitoring and the recognition of anthropogenic disturbance, which may change the shape of the triangular region by, for example, the loss of large body size top predators that occur at low abundance. PMID:20071388

  15. High Resolution Spectroscopy of Vega-like Stars: Abundances and Circumstellar Gas

    NASA Technical Reports Server (NTRS)

    Dunkin, S. K.; Barlow, M. J.; Ryan, Sean G.

    1996-01-01

    Vega-like stars are main-sequence stars exhibiting excess infrared emission. In an effort to improve the information available on this class of star, 13 stars have been analyzed which have been classed as Vega-like, or have an infra-red excess attributable to dust in their circumstellar environment. In a separate paper stellar properties such as effective temperature and log g have been derived and in this poster we highlight the results of the photospheric abundance analysis also carried out during this work. King recently drew attention to the possible link between Vega-like stars and the photospheric metal-depleted class of A-stars, the Lambda Bootis stars. Since Vega-like stars are thought to have disks of dust, it might be expected that accretion of depleted gas onto the surface of these stars may cause this same phenomenon. In the 6 stars studied for depletions, none showed the extreme underabundance patterns observed in Lambda Bootis stars. However, depletions of silicon and magnesium were found in two of the sample, suggesting that these elements are in silicate dust grains in the circumstellar environment of these stars. Absorption lines attributed to circumstellar gas have been positively identified in three stars in our sample. Individual cases show evidence either of high-velocity outflowing gas, variability in the circumstellar lines observed, or evidence of circumstellar gas in excited lines of Fe II. No previous identification of circumstellar material has been made for two of the stars in question.

  16. Three separate classes of bacterial ice nucleation structures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Turner, M.A.; Arellano, F.; Kozloff, L.M.

    1990-05-01

    Studies of the properties of the ice nucleation structure exposed on the surfaces of various bacteria such as Pseudomonas syringae, Erwinia herbicola, or various strains of Ice+ recombinant Escherichia coli have shown that there are clearly three major related but chemically distinct types of structures on these cells. First, the ability of Ice+ cells to nucleate super-cooled D2O has been examined, and it has been found that this ability (relative to the ability of the same cells to nucleate super-cooled H2O) exhibited three characteristic nucleating patterns. The rarest structure, called class A, is found on only a small fraction ofmore » cells in a culture, nucleates H2O at temperatures above -4.4 degrees C, and is an effective nucleator of super-cooled D2O. A second class of structure, called class B, is found on a larger portion of the cells, nucleates H2O between -4.8 and -5.7 degrees C, and is a relatively poor nucleator of super-cooled D2O. The class C structure is found on almost all cells and nucleates at -7.6 degrees C or colder. These three classes of structures were also differentiated by their sensitivities to low concentrations of water-miscible organic solvents such as dioxane or dimethyl sulfoxide. Depending on the specific bacterial strain, the addition of these solvents to bacterial suspensions lowered the nucleation activity of the class A structure by 1,000-fold or more. The nucleation activities of class B structures in the same culture were highly resistant to these compounds and were lowered only by 20 to 40%.« less

  17. Effect of antimicrobial compounds tylosin and chlortetracycline during batch anaerobic swine manure digestion.

    PubMed

    Stone, James J; Clay, Sharon A; Zhu, Zhenwei; Wong, Kwok L; Porath, Laura R; Spellman, Garth M

    2009-10-01

    Tylosin and chlortetracycline (CTC) are antimicrobial chemicals that are fed to >45% of the US swine herds at therapeutic and sub-therapeutic dosages to enhance growth rates and treat swine health problems. These compounds are poorly absorbed during digestion so that the bioactive compound or metabolites are excreted. This study investigated the degradation and stabilization of swine manure that contained no additives and compared the observed processes with those of manure containing either tylosin or CTC. The batch anaerobic incubation lasted 216 days. The breakdown of insoluble organic matter through anaerobic hydrolysis reactions was faster for manure containing CTC compared with tylosin or no-antimicrobial treatments. Volatile fatty acid (VFA) accumulation, including acetate, butyrate, and propionate, was greater for CTC-containing manure compared to tylosin and no-antimicrobial treatments. The relative abundance of two aceticlastic methanogens, Methanosaetaceae and Methanosarcinaceae spp., were less for CTC manure than manure with no-antimicrobial treatment. In addition, generation of methane and carbon dioxide was inhibited by 27.8% and 28.4%, respectively, due to the presence of CTC. Tylosin effects on manure degradation were limited, however the relative abundance of Methanosarcinaceae spp. was greater than found in the CTC or no-antimicrobial manures. These data suggest that acetate and other C-1 VFA compounds would be effectively utilized during methanogenesis in the presence of tylosin.

  18. Evidence from the Pacific troposphere for large global sources of oxygenated organic compounds

    NASA Astrophysics Data System (ADS)

    Singh, H.; Chen, Y.; Staudt, A.; Jacob, D.; Blake, D.; Heikes, B.; Snow, J.

    2001-04-01

    The presence of oxygenated organic compounds in the troposphere strongly influences key atmospheric processes. Such oxygenated species are, for example, carriers of reactive nitrogen and are easily photolysed, producing free radicals-and so influence the oxidizing capacity and the ozone-forming potential of the atmosphere-and may also contribute significantly to the organic component of aerosols. But knowledge of the distribution and sources of oxygenated organic compounds, especially in the Southern Hemisphere, is limited. Here we characterize the tropospheric composition of oxygenated organic species, using data from a recent airborne survey conducted over the tropical Pacific Ocean (30°N to 30°S). Measurements of a dozen oxygenated chemicals (carbonyls, alcohols, organic nitrates, organic pernitrates and peroxides), along with several C2-C8 hydrocarbons, reveal that abundances of oxygenated species are extremely high, and collectively, oxygenated species are nearly five times more abundant than non-methane hydrocarbons in the Southern Hemisphere. Current atmospheric models are unable to correctly simulate these findings, suggesting that large, diffuse, and hitherto-unknown sources of oxygenated organic compounds must therefore exist. Although the origin of these sources is still unclear, we suggest that oxygenated species could be formed via the oxidation of hydrocarbons in the atmosphere, the photochemical degradation of organic matter in the oceans, and direct emissions from terrestrial vegetation.

  19. Monitoring system for the study of autotrophic biofilms in bioremediation of polyaromatic compounds

    NASA Astrophysics Data System (ADS)

    Alarie, Jean P.; Bruttig, A.; Miller, Gordon H.; Hill, Walter; Vo-Dinh, Tuan

    1999-02-01

    Bacterial and other natural materials such as plants and algae have received increasing interest for bioremediation efforts. The identificatIon of materials capable of biodegrading or sequestering environmental pollutants offers an attractive alternative to chemical or physical means of remediation. A number of bacteria capable of biodegrAding organic or reducing metal pollutants have received great interest. Similarly, the use of natural plants to absorb pollutants from soil anD liquid samples is another potential approach. Our interest lies in identification of naturally occurring algae and their ability to absorb polyaromatic compounds (PAC) from groundwater sources (i.e. streams). These algae could serve as natural water filters for streams contaminated with Polyaromatic hydrocarbons. Polycyclic aromatic compounds, which comprise a complex class of condensed multi-ring benzenoid compounds, are important environmental pollutants originating from a wide variety of natural and anthropogenic sources. PACs are generally formed during incomplete combustion or pyrolysis of organic matter containing carbon and hydrogen. Because combustion of organic materials is involved in countless natural processes or human activities, PACs are omnipresent and abundant pollutants in air, soil and water. Among energy-related products, fossil fuels are the major sources of PACs. The primary sources of airborne PACs are associated with combustion, coal coking, and petroleum catalytic cracking. Coal and shale conversion also contribute to production of PACs. Production, transportation and, use of synthetic fuels and petroleum products provide emission sources for PACs. In urban environments an significant source of PACs is diesel exhaust. Food cooking and cigarette smoking activities contribute to PAC occurrence in indoor environments. Chemical analysis of PACs is of great environmental and toxicological interest because many of them have been shown to be mutagens and/or potent

  20. Characterization of volatile aroma compounds in different brewing barley cultivars.

    PubMed

    Dong, Liang; Hou, Yingmin; Li, Feng; Piao, Yongzhe; Zhang, Xiao; Zhang, Xiaoyu; Li, Cheng; Zhao, Changxin

    2015-03-30

    Beer is a popular alcoholic malt beverage resulting from fermentation of the aqueous extract of malted barley with hops. The aroma of brewing barley impacts the flavor of beer indirectly, because some flavor compounds or their precursors in beer come from the barley. The objectives of this research were to study volatile profiles and to characterize odor-active compounds of brewing barley in order to determine the variability of the aroma composition among different brewing barley cultivars. Forty-one volatiles comprising aldehydes, ketones, alcohols, organic acids, aromatic compounds and furans were identified using solid phase microextraction combined with gas chromatography/mass spectrometry, among which aldehydes, alcohols and ketones were quantitatively in greatest abundance. Quantitative measurements performed by means of solvent extraction and calculation of odor activity values revealed that acetaldehyde, 2-methylpropanal, 3-methylbutanal, 2-methylbutanal, hexanal, heptanal, octanal, nonanal, 3-methyl-1-butanol, cyclopentanol, 2,3-butanedione, 2,3-pentanedione, 2-heptanone, acetic acid, ethyl acetate, 2-pentylfuran and benzeneacetaldehyde, whose concentrations exceeded their odor thresholds, could be considered as odor-active compounds of brewing barley. Principal component analysis was employed to evaluate the differences among cultivars. The results demonstrated that the volatile profile based on the concentrations of aroma compounds enabled good differentiation of most barley cultivars. © 2014 Society of Chemical Industry.

  1. Assessing non-digestible compounds in apple cultivars and their potential as modulators of obese faecal microbiota in vitro.

    PubMed

    Condezo-Hoyos, Luis; Mohanty, Indira P; Noratto, Giuliana D

    2014-10-15

    The health benefits of apple bioactive compounds have been extensively reported. However, only few studies have focused on bioactive compounds that are not absorbed and metabolised during gastrointestinal digestion and can induce changes in microbial populations of faeces. We have characterised Braeburn, Fuji, Gala, Golden Delicious, Granny Smith, McIntosh and Red Delicious cultivars and found significant differences for extractable phenolics (1.08-9.2mg/g) non-extractable proanthocyanidins (3.28-5.7mg/g), and dietary fibre (20.6-32.2%) among cultivars with Granny Smith having the highest contents. Granny Smith was used after in vitro digestion for fermentation of faeces from diet-induced obese mice. Results showed that relative abundances of Firmicutes, Bacteroidetes, Enterococcus, Enterobacteriaceae, Escherichia coli, and Bifidobacterium in apple cultured faeces tended to resemble the abundance in faeces from lean mice with increased trend in the production of butyric acid. These results suggest that apple non-digestible compounds might help to re-establish a disturbed microbiota balance in obesity. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. CLOSED-LOOP STRIPPING ANALYSIS (CLSA) OF SYNTHETIC MUSK COMPOUNDS FROM FISH TISSUES WITH MEASUREMENT BY OC/MS/SIM

    EPA Science Inventory

    Synthetic musk compounds are used as inexpensive fragrance materials for the production
    of perfumes and as additives to soap, detergent, and shampoo. They have been found in surface water, fish tissues, and human breast milk. The ubiquity of this class of compounds in the env...

  3. Overcoming Multidrug Resistance in Human Cancer Cells by Natural Compounds

    PubMed Central

    Nabekura, Tomohiro

    2010-01-01

    Multidrug resistance is a phenomenon whereby tumors become resistant to structurally unrelated anticancer drugs. P-glycoprotein belongs to the large ATP-binding cassette (ABC) transporter superfamily of membrane transport proteins. P-glycoprotein mediates resistance to various classes of anticancer drugs including vinblastine, daunorubicin, and paclitaxel, by actively extruding the drugs from the cells. The quest for inhibitors of anticancer drug efflux transporters has uncovered natural compounds, including (-)-epigallocatechin gallate, curcumin, capsaicin, and guggulsterone, as promising candidates. In this review, studies on the effects of natural compounds on P-glycoprotein and anticancer drug efflux transporters are summarized. PMID:22069634

  4. Large magnetoresistance in non-magnetic silver chalcogenides and new class of magnetoresistive compounds

    DOEpatents

    Saboungi, Marie-Louis; Price, David C. L.; Rosenbaum, Thomas F.; Xu, Rong; Husmann, Anke

    2001-01-01

    The heavily-doped silver chalcogenides, Ag.sub.2+.delta. Se and Ag.sub.2+.delta. Te, show magnetoresistance effects on a scale comparable to the "colossal" magnetoresistance (CMR) compounds. Hall coefficient, magnetoconductivity, and hydrostatic pressure experiments establish that elements of narrow-gap semiconductor physics apply, but both the size of the effects at room temperature and the linear field dependence down to fields of a few Oersteds are surprising new features.

  5. The role of condensed tannins in animal production: advances, limitations and future directions

    USDA-ARS?s Scientific Manuscript database

    Tannins represent one of the most abundant polyphenolic compounds in plants, second only to lignin. Tannins exist as a multitude of chemically unique entities in nature. The most commonly occurring tannins are typically divided into two major classes based on chemical structure: hydrolysable or cond...

  6. New determination of abundances and stellar parameters for a set of weak G-band stars

    NASA Astrophysics Data System (ADS)

    Palacios, A.; Jasniewicz, G.; Masseron, T.; Thévenin, F.; Itam-Pasquet, J.; Parthasarathy, M.

    2016-03-01

    Context. Weak G-band (wGb) stars are a very peculiar class of red giants; they are almost devoided of carbon and often present mild lithium enrichment. Despite their very puzzling abundance patterns, very few detailed spectroscopic studies existed up to a few years ago, which prevented any clear understanding of the wGb phenomenon. We recently proposed the first consistent analysis of published data for a sample of 28 wGb stars and were able to identify them as descendants of early A-type to late B-type stars, although we were not able to conclude on their evolutionary status or the origin of their peculiar abundance pattern. Aims: Using new high-resolution spectra, we present the study of a new sample of wGb stars with the aim of homogeneously deriving their fundamental parameters and surface abundances for a selected set of chemical species that we use to improve our insight on this peculiar class of objects. Methods: We obtained high-resolution and high signal-to-noise spectra for 19 wGb stars in the southern and northern hemisphere that we used to perform consistent spectral synthesis to derive their fundamental parameters and metallicities, as well as the spectroscopic abundances for Li, C, 12C/13C, N, O, Na, Sr, and Ba. We also computed dedicated stellar evolution models that we used to determine the masses and to investigate the evolutionary status and chemical history of the stars in our sample. Results: We confirm that the wGb stars are stars with initial masses in the range 3.2 to 4.2 M⊙. We suggest that a large fraction could be mildly evolved stars on the subgiant branch currently undergoing the first dredge-up, while a smaller number of stars are more probably in the core He burning phase at the clump. After analysing their abundance pattern, we confirm their strong nitrogen enrichment anti-correlated with large carbon depletion, characteristic of material fully processed through the CNO cycle to an extent not known in evolved intermediate-mass stars

  7. For which compounds do we search in extraterrestrial samples for evidence of abiotic and/or biotic chemistry?

    NASA Astrophysics Data System (ADS)

    Bada, Jeffrey L.; Becker, Luann; McDonald, Gene D.

    1997-07-01

    Any strategy for investigating whether abiotic and/or biotic organic molecules are present on planetary bodies in the solar system should focus on compounds which are readily synthesized under plausible prebiotic conditions, play an essential role in biochemistry as we know it and have properties such as chirality (handedness) which can be used to distinguish between abiotic vs. biotic origins. Amino acids are one of the few compound classes that fulfill all these requirements. They are synthesized in high yields in prebiotic simulation experiments, are one of the more abundant types of organic compounds present in carbonaceous meteorites and only the L-enantiomers are used in the proteins and enzymes in life on Earth. In contrast, polycylic aromatic hydrocarbons which have recently been detected in some Martian meteorites, have no role in biochemistry on Earth, and their molecular architecture, with the possible exception of the stable isotope composition, cannot be used to determine whether they were produced by biotic or abiotic processes. Recent results indicate that amino acids and their amine decomposition products can be directly isolated from samples using sublimation (450 degree(s) to 750 degree(s)C) under partial vacuum, thus eliminating the use of the aqueous reagents commonly used in the laboratory-based isolation of amino acids. A relatively new technology which shows promise for spacecraft-based amino acid analysis is microchip-based capillary electrophoresis. The actual separation hardware, including buffer reservoirs and derivatization reaction chambers, can be etched onto glass microchips with dimensions on the order of cm. This methodology offers the best potential for a compact, rugged, low-mass instrument package for in situ amino acid analyses during future space missions to Mars, Europa and comets.

  8. Observation of unusual topological surface states in half-Heusler compounds LnPtBi (Ln=Lu, Y)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Z. K.; Yang, L. X.; Wu, S. -C.

    Topological quantum materials represent a new class of matter with both exotic physical phenomena and novel application potentials. Many Heusler compounds, which exhibit rich emergent properties such as unusual magnetism, superconductivity and heavy fermion behaviour, have been predicted to host non-trivial topological electronic structures. The coexistence of topological order and other unusual properties makes Heusler materials ideal platform to search for new topological quantum phases (such as quantum anomalous Hall insulator and topological superconductor). By carrying out angle-resolved photoemission spectroscopy and ab initio calculations on rare-earth half-Heusler compounds LnPtBi (Ln=Lu, Y), we directly observe the unusual topological surface states onmore » these materials, establishing them as first members with non-trivial topological electronic structure in this class of materials. Moreover, as LnPtBi compounds are non-centrosymmetric superconductors, our discovery further highlights them as promising candidates of topological superconductors.« less

  9. Observation of unusual topological surface states in half-Heusler compounds LnPtBi (Ln=Lu, Y)

    DOE PAGES

    Liu, Z. K.; Yang, L. X.; Wu, S. -C.; ...

    2016-09-27

    Topological quantum materials represent a new class of matter with both exotic physical phenomena and novel application potentials. Many Heusler compounds, which exhibit rich emergent properties such as unusual magnetism, superconductivity and heavy fermion behaviour, have been predicted to host non-trivial topological electronic structures. The coexistence of topological order and other unusual properties makes Heusler materials ideal platform to search for new topological quantum phases (such as quantum anomalous Hall insulator and topological superconductor). By carrying out angle-resolved photoemission spectroscopy and ab initio calculations on rare-earth half-Heusler compounds LnPtBi (Ln=Lu, Y), we directly observe the unusual topological surface states onmore » these materials, establishing them as first members with non-trivial topological electronic structure in this class of materials. Moreover, as LnPtBi compounds are non-centrosymmetric superconductors, our discovery further highlights them as promising candidates of topological superconductors.« less

  10. Composition and major sources of organic compounds in urban aerosols

    NASA Astrophysics Data System (ADS)

    Bi, Xinhui; Simoneit, Bernd R. T.; Sheng, Guoying; Ma, Shexia; Fu, Jiamo

    Total suspended particles (TSP), collected during June 2002 to July 2003 in Guangzhou, a typical economically developed city in South China, were analyzed for the organic compound compositions using gas chromatography-mass spectrometry (GC/MS). Over 140 organic compounds were detected in the aerosols and grouped into different classes including n-alkanes, hopanoids, polycyclic aromatic hydrocarbons, alkanols, fatty acids, dicarboxylic acids excluding oxalic acid, polyols/polyacids, lignin products, phytosterols, phthalates and water-soluble sugars. The total amounts of the identified organic compounds including unresolved complex mixture (UCM) ranged from 3112 ng/m 3 in spring to 5116 ng/m 3 in winter, comprising on seasonal average 2.8% of TSP. Primary organic compounds peaked in winter although there are no heating systems burning fuels in Guangzhou. The highest saccharide levels occurred in fall due to agricultural activities. This study demonstrated that utilization of fossil fuels, biomass burning, soil resuspension and plastic/refuse burning are the major contributors to the identified organic compounds in the urban atmosphere of South China.

  11. Volatile compounds of Celta dry-cured 'lacón' as affected by cross-breeding with Duroc and Landrace genotypes.

    PubMed

    Lorenzo, José M; Fonseca, Sonia

    2014-11-01

    Dry-cured 'lacón' is a traditional cured meat product made in the north-west of Spain from the pigs' foreleg, with similar manufacturing process to that used in dry-cured ham. The aim of this study was to assess the influence of cross-breeding of Celta pig with Landrace or Duroc breeds on the formation of volatile compounds through the manufacture of 'lacón'. 'Lacón' from the crosses with Duroc presented lower final moisture (534 g kg(-1) ) and higher intra-muscular fat content [144 g kg(-1) dry matter (DM)] than 'lacón' from Celta pure breed (587 g kg(-1) and 36 g kg(-1) DM, respectively). Volatile compounds were extracted by solid-phase microextraction and analysed by gas chromatography-mass spectrometry. Volatile compounds from 'lacón' were affected by cross-breeding. The total amount of volatile compounds significantly (P < 0.001) increased during the manufacturing process, this increase being more marked in samples from the Landrace cross-breed. The most abundant group of flavour compounds at the end of the manufacturing process was esters in the three batches, followed by aldehydes, hydrocarbons and alcohols. The most abundant ester at the end of the process was hexanoic acid methyl ester, while the aldehyde found in a higher amount was hexanal. The profile of volatile compounds was affected by cross-breed, especially at the end of the 'lacón' dry-curing process. © 2014 Society of Chemical Industry.

  12. Fiber optic micromirror sensor for volatile organic compounds

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Butler, M.A.; Ricco, A.J.; Buss, R.

    With the growing concern over environmental pollution, there is a need for sensors to locate and measure the distribution of a wide range of pollutants. In this paper the authors report a fiber optic sensor, based on a thin film micromirror, which responds to a wide range of volatile organic compounds (VOCs). This generic class of sensor will be useful for monitoring applications where the pollutant has already been identified.

  13. Bringing abundance into environmental politics: Constructing a Zionist network of water abundance, immigration, and colonization.

    PubMed

    Alatout, Samer

    2009-06-01

    For more than five decades, resource scarcity has been the lead story in debates over environmental politics. More importantly, and whenever environmental politics implies conflict, resource scarcity is constructed as the culprit. Abundance of resources, if at all visited in the literature, holds less importance. Resource abundance is seen, at best, as the other side of scarcity--maybe the successful conclusion of multiple interventions that may turn scarcity into abundance. This paper reinstates abundance as a politico-environmental category in its own right. Rather than relegating abundance to a second-order environmental actor that matters only on occasion, this paper foregrounds it as a crucial element in modern environmental politics. On the substantive level, and using insights from science and technology studies, especially a slightly modified actor-network framework, I describe the emergence and consolidation of a Zionist network of abundance, immigration, and colonization in Palestine between 1918 and 1948. The essential argument here is that water abundance was constructed as fact, and became a political rallying point around which a techno-political network emerged that included a great number of elements. To name just a few, the following were enrolled in the service of such a network: geologists, geophysicists, Zionist settlement experts, Zionist organizations, political and technical categories of all sorts, Palestinians as the negated others, Palestinian revolts in search of political rights, the British Mandate authorities, the hydrological system of Palestine, and the absorptive capacity of Palestine, among others. The point was to successfully articulate these disparate elements into a network that seeks opening Palestine for Jewish immigration, redefining Palestinian geography and history through Judeo-Christian Biblical narratives, and, in the process, de-legitimizing political Palestinian presence in historic Palestine.

  14. Multiple marker abundance profiling: combining selected reaction monitoring and data-dependent acquisition for rapid estimation of organelle abundance in subcellular samples

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hooper, Cornelia M.; Stevens, Tim J.; Saukkonen, Anna

    Measuring changes in protein or organelle abundance in the cell is an essential, but challenging aspect of cell biology. Frequently-used methods for determining organelle abundance typically rely on detection of a very few marker proteins, so are unsatisfactory. In silico estimates of protein abundances from publicly available protein spectra can provide useful standard abundance values but contain only data from tissue proteomes, and are not coupled to organelle localization data. A new protein abundance score, the normalized protein abundance scale (NPAS), expands on the number of scored proteins and the scoring accuracy of lower-abundance proteins in Arabidopsis. NPAS was combinedmore » with subcellular protein localization data, facilitating quantitative estimations of organelle abundance during routine experimental procedures. A suite of targeted proteomics markers for subcellular compartment markers was developed, enabling independent verification of in silico estimates for relative organelle abundance. Estimation of relative organelle abundance was found to be reproducible and consistent over a range of tissues and growth conditions. In silico abundance estimations and localization data have been combined into an online tool, multiple marker abundance profiling, available in the SUBA4 toolbox (http://suba.live).« less

  15. Multiple marker abundance profiling: combining selected reaction monitoring and data-dependent acquisition for rapid estimation of organelle abundance in subcellular samples

    DOE PAGES

    Hooper, Cornelia M.; Stevens, Tim J.; Saukkonen, Anna; ...

    2017-10-12

    Measuring changes in protein or organelle abundance in the cell is an essential, but challenging aspect of cell biology. Frequently-used methods for determining organelle abundance typically rely on detection of a very few marker proteins, so are unsatisfactory. In silico estimates of protein abundances from publicly available protein spectra can provide useful standard abundance values but contain only data from tissue proteomes, and are not coupled to organelle localization data. A new protein abundance score, the normalized protein abundance scale (NPAS), expands on the number of scored proteins and the scoring accuracy of lower-abundance proteins in Arabidopsis. NPAS was combinedmore » with subcellular protein localization data, facilitating quantitative estimations of organelle abundance during routine experimental procedures. A suite of targeted proteomics markers for subcellular compartment markers was developed, enabling independent verification of in silico estimates for relative organelle abundance. Estimation of relative organelle abundance was found to be reproducible and consistent over a range of tissues and growth conditions. In silico abundance estimations and localization data have been combined into an online tool, multiple marker abundance profiling, available in the SUBA4 toolbox (http://suba.live).« less

  16. Organics In Meteorites

    NASA Technical Reports Server (NTRS)

    Chang, Sherwood

    1996-01-01

    The variety of classes of organic compounds that occur in carbonaceous meteorites suggests a rich pre-planetary chemistry with possible connections to interstellar, solar nebular and parent body processes. Structural diversity prevails within all classes examined in detail. Among amino acids for instance, all possible isomers are found up to species containing 4-6 carbon atoms, with abundances decreasing with increasing molecular weight. Such diversity seems limited to those carbonaceous meteorites which show evidence of having been exposed to liquid water; meteorites lacking such evidence also show much lower abundances and less structural diversity in their organic contents. This apparent dependency on water suggests a role for cometary ices in the chemical evolution of organic compounds on parent bodies. Measurements of the stable isotope compositions of C, H, N and S in classes of compounds and at the individual compound level show strong deviations from average chondritic values. These deviations are difficult to explain by solar system or parent body processes, and precedents for some of these isotopic anomalies exist in interstellar (e.g., high D/H ratios) and circumstellar chemistry. Therefore, presolar origins for much if not all of the meteoritic organic compounds (or their precursors) is a distinct possibility. In contrast, evidence of solar nebular origins is either lacking or suspect. Results from molecular and isotopic analyses of meteoritic organics, from laboratory simulations and from a model of interstellar grain reactions will be used to flesh out the hypothesis that this material originated with interstellar chemistry, was distributed within the early solar system as cometary ices, and was subsequently altered on meteorite parent bodies to yield the observed compounds.

  17. Molecular and Enantiomeric Analysis of Organic Compounds in Carbonaceous Meteorites

    NASA Technical Reports Server (NTRS)

    Cooper, George

    2003-01-01

    Carbonaceous meteorites are relatively enriched in carbon. Much of this carbon is in the form of soluble organic compounds. The Murchison and Murray meteorites are the best-characterized carbonaceous meteorites with respect to organic chemistry. Their content of organic compounds has led to an initial understanding of early solar system organic chemistry as well as what compounds may have played a role in the origin of life (Cronin and Chang, 1993). Reported compounds include: amino acids, amides, carboxylic acids, sulfonic acids, and polyols. This talk will focus on the molecular and enantiomeric analysis of individual meteoritic compounds: polyol acids; and a newly identified class of meteorite compounds, keto acids, i.e., acetoacetic acid, levulinic acid, etc. Keto acids (including pyruvic) are critically important in all contemporary organisms. They are key intermediates in metabolism and processes such as the citric acid cycle. Using gas chromatography-mass spectrometry we identified individual meteoritic keto acids after derivatization to one or more of the following forms: isopropyl ester (ISP), trimethyIsiIy1 (TMS), tert-butyldimethylsilyl (BDMS). Ongoing analyses will determine if, in addition to certain amino acids from Murchison (Cronin and Pizzarello, 1997), other potentially important prebiotic compounds also contain enantiomeric excesses, i.e., excesses that could have contributed to the current homochirality of life.

  18. Radio Bursts as Diagnostics of Relative Abundances in Solar Particles

    NASA Astrophysics Data System (ADS)

    Cane, H. V.; Richardson, I. G.; von Rosenvinge, T. T.

    2008-05-01

    Based solely on the presence of associated low frequency type III radio bursts with specific characteristics, Cane et al. (2002) suggested that large solar energetic particle events are likely to include contributions from particles accelerated in the associated flares. Studies using ACE/SIS observations of O and Fe intensity-time profiles have supported this suggestion. Nevertheless, some researchers have argued that particles cannot be flare accelerated if the relative abundances differ from those in the small particle events that are widely accepted to be composed of flare particles. However, based on the radio data, the flare particles in large events are not released at the time of the flare soft X-ray onset but are delayed, either because they are accelerated later or released later. These changed conditions are expected to alter the relative abundances (electrons to protons, heavy to light ions) compared to those associated with small flares. From a comprehensive analysis of the characteristics of the coronal mass ejections (CMEs), flares and radio bursts (at metric and longer wavelengths) associated with the ~340 proton events at >25 MeV that occurred during solar cycle 23, we confirm earlier results (Cane et al. 1986) that the timing of the type III bursts is a reasonable discriminator for the relative abundances at the start of solar particle events. In contrast, the speeds of the associated CMEs do not discriminate events, nor does the presence of meter wavelength type II bursts. Cane, H. V., R. E. McGuire, and T. T. von Rosenvinge (1986), Two classes of solar energetic particle events associated with impulsive and long-duration soft X-ray flares, Astrophys. J., 301, 448. Cane, H. V., W. C. Erickson, and N. P. Prestage (2002), Solar flares, type III radio bursts, coronal mass ejections, and energetic particles, J. Geophys. Res., 107(A10), 1315, doi:10.1029/2001JA000320.

  19. Monitoring Butterfly Abundance: Beyond Pollard Walks

    PubMed Central

    Pellet, Jérôme; Bried, Jason T.; Parietti, David; Gander, Antoine; Heer, Patrick O.; Cherix, Daniel; Arlettaz, Raphaël

    2012-01-01

    Most butterfly monitoring protocols rely on counts along transects (Pollard walks) to generate species abundance indices and track population trends. It is still too often ignored that a population count results from two processes: the biological process (true abundance) and the statistical process (our ability to properly quantify abundance). Because individual detectability tends to vary in space (e.g., among sites) and time (e.g., among years), it remains unclear whether index counts truly reflect population sizes and trends. This study compares capture-mark-recapture (absolute abundance) and count-index (relative abundance) monitoring methods in three species (Maculinea nausithous and Iolana iolas: Lycaenidae; Minois dryas: Satyridae) in contrasted habitat types. We demonstrate that intraspecific variability in individual detectability under standard monitoring conditions is probably the rule rather than the exception, which questions the reliability of count-based indices to estimate and compare specific population abundance. Our results suggest that the accuracy of count-based methods depends heavily on the ecology and behavior of the target species, as well as on the type of habitat in which surveys take place. Monitoring programs designed to assess the abundance and trends in butterfly populations should incorporate a measure of detectability. We discuss the relative advantages and inconveniences of current monitoring methods and analytical approaches with respect to the characteristics of the species under scrutiny and resources availability. PMID:22859980

  20. Relationship between milk cathelicidin abundance and microbiologic culture in clinical mastitis.

    PubMed

    Addis, M F; Bronzo, V; Puggioni, G M G; Cacciotto, C; Tedde, V; Pagnozzi, D; Locatelli, C; Casula, A; Curone, G; Uzzau, S; Moroni, P

    2017-04-01

    The availability of reliable tools to enable the sensitive and specific detection of mastitis in dairy cows can assist in developing control strategies and promote the more rational use of antibiotics. We have developed a milk cathelicidin ELISA that shows high sensitivity and specificity for dairy cow mastitis, based on latent class analysis. In this study, we investigated the effect of microbial agents on cathelicidin abundance in the milk of cows with clinical mastitis. We subjected 535 quarter milk samples (435 from quarters showing signs of clinical mastitis and 100 from healthy quarters as a control) to milk cathelicidin ELISA, somatic cell count (SCC), and microbiologic culture. Of the 435 clinical mastitis samples, 431 (99.08%) were positive for cathelicidin, 424 (97.47%) had SCC >200,000 cells/mL, and 376 (86.44%) were culture-positive. Of the 59 culture-negative samples, 58 (98.30%) were positive for cathelicidin and 55 (93.22%) had SCC >200,000 cells/mL. The abundance of cathelicidin and the extent of SCC increase depended on the causative agent: Streptococcus agalactiae and coagulase-negative staphylococci showed the highest and lowest changes, respectively. We also observed differences in behavior between the 2 markers depending on the pathogen: Streptococcus agalactiae induced the highest cathelicidin abundance, and Serratia spp. induced the highest SCC. Nevertheless, the different ability of microorganisms to induce cathelicidin release in milk did not compromise its value as a mastitis marker, given its higher sensitivity compared to SCC or microbiologic culture. All 100 negative control samples (collected from healthy quarters with SCC <100,000 cells/mL and culture-negative) were also negative for cathelicidin, corresponding to 100% specificity in the evaluated sample cohort. This study confirmed the value of the milk cathelicidin ELISA for detecting bovine mastitis, and highlighted the influence of mastitis-causing microorganisms on cathelicidin

  1. The boron abundance of Procyon

    NASA Technical Reports Server (NTRS)

    Lemke, Michael; Lambert, David L.; Edvardsson, Bengt

    1993-01-01

    The B I 2496.8 A resonance line and HST/GHRS echelle spectra are used with model atmospheres and synthetic spectra to derive the B abundance of the F dwarfs Procyon (Alpha Canis Minoris), Theta Ursae Majoris, and Iota Pegasi. The B abundance of Theta UMa and Iota Peg is similar to that derived by Boesgaard and Heacox (1978) from the B II resonance line in spectra of A- and B-type stars. These two dwarfs show normal abundances of Li, Be, and B. Procyon, which is highly depleted in Li and Be, is depleted in B by a factor of at least 3. Comparison of the spectra of Procyon and the halo dwarf HD 140283 shows that the B abundance assigned by Duncan et al. (1992) to three halo dwarfs is not greatly overestimated as a result of contamination of the B I line by an unidentified line.

  2. Spider monkeys (Ateles geoffroyi) are less sensitive to the odor of aliphatic ketones than to the odor of other classes of aliphatic compounds.

    PubMed

    Eliasson, Moa; Hernandez Salazar, Laura Teresa; Laska, Matthias

    2015-10-01

    Aliphatic ketones are widely present in body-borne and food odors of primates. Therefore, we used an operant conditioning paradigm and determined olfactory detection thresholds in four spider monkeys for a homologous series of aliphatic 2-ketones (2-butanone to 2-nonanone) and two of their isomers (3- and 4-heptanone). We found that, with the exception of the two shortest-chained ketones, all animals detected concentrations <1 ppm (parts per million), and with five odorants individual animals even reached threshold values <0.1 ppm. Further, we found a significant correlation between olfactory sensitivity of the spider monkeys and carbon chain length of the 2-ketones which can best be described as a U-shaped function. In contrast, no significant correlation was found between olfactory sensitivity and position of the functional carbonyl group. Across-odorant and across-species comparisons revealed the following: spider monkeys are significantly less sensitive to the odors of aliphatic ketones than to the odor of other classes of aliphatic compounds (1-alcohols, n-aldehydes, n-acetic esters, and n-carboxylic acids) sharing the same carbon length. Spider monkeys do not differ significantly in their olfactory sensitivity for aliphatic ketones from squirrel monkeys and pigtail macaques, but are significantly less sensitive to these odorants compared to human subjects and mice. These findings support the notion that neuroanatomical and genetic properties do not allow for reliable predictions with regard to a species' olfactory sensitivity. Further, we conclude that the frequency of occurrence of a class of odorants in a species' chemical environment does not allow for reliable predictions of the species' olfactory sensitivity. Copyright © 2015 Elsevier Ireland Ltd and the Japan Neuroscience Society. All rights reserved.

  3. [Diversity and abundance of molluscs in Thalassia testudinum prairie of the Bay of Mochinma, Mochima National Park, Venezuela].

    PubMed

    Prieto, Antulio; Sant, Sybil; Méndez, Elizabeth; Lodeiros, César

    2003-06-01

    The diversity and abundance of benthic malacological communities associated to Thalassia testudinum beds was studied at four localities of Mochima Bay, Sucre state, Venezuela. At each locality, samples were taken monthly on perpendicular transect at different depths (0-4 m), from January 1991 to December 1991, using a quadrate (0.25 m2) for collecting mollusks and sediments. A total of 2,988 organisms of infauna and epifauna belonging to 81 species of the classes Gastropoda (41) and Bivalvia (40) were collected. More abundant species were Anadara notabilis, Codakia orbicularis, Cerithium litteratum, Cerithium eburneum, Batillaria minima, Modiolus squamosus, Modulus modulus, Chione cancellata, Turritella variegata, Arca zebra, y Laevicardium laevigatum. There were significant differences in number of organisms between depth and month at La Gabarra which presented the highest value of total (4.51 bits/ind) and monthly diversity (2.71-3.90 bits/ind). Biomass and abundance were low in the Mochima Bay while Varadero station presented the highest value. The bivalve A. notabilis and gastropod M. modulus were species common to the four stations.

  4. HPLC-DAD-ESI/MS(n) profiling of phenolic compounds from Lathyrus cicera L. seeds.

    PubMed

    Ferreres, F; Magalhães, S C Q; Gil-Izquierdo, A; Valentão, P; Cabrita, A R J; Fonseca, A J M; Andrade, P B

    2017-01-01

    Lathyrus cicera L. seeds are of interest for food and feed purposes. Despite the recognized antioxidant activity of the seeds, arising from the phenolic fraction, their phenolic compounds have not been studied in depth yet. Therefore, to determine the phenolics profile of these seeds, a target analysis was performed using high-performance liquid chromatography coupled to photodiode-array detection and electrospray ionization/ion trap mass spectrometry (HPLC-DAD-ESI/MS(n)). Thirty-seven glycosylated flavonoids were identified for the first time in the seeds of this species and, according to their MS fragmentation, clustered in flavonol-3-O-di-/tri-glycosides-7-O-rhamnosides and other flavonol-glycosides, and flavonol-3-O-(cinnamoyl)glycoside-7-O-rhamnosides, flavonol-3-O-(dihydrophaseoyl, cinnamoyl)glycoside-7-O-rhamnosides and flavonol-3-O-(malonyl)glycoside-7-O-rhamnosides. Glycosides of kaempferol were the main flavonoids found (10 non-acylated and 21 acylated), followed by those of quercetin (3) and those of isorhamnetin, apigenin and luteolin (1). The most abundant flavonols were identified as kaempferol-3-O-(2-hexosyl)hexoside-7-O-rhamnosides. The methodology used allowed to increase the knowledge on a relevant phytochemical class of seeds from L. cicera. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Transcriptome discovery in non-model wild fish species for the development of quantitative transcript abundance assays.

    PubMed

    Hahn, Cassidy M; Iwanowicz, Luke R; Cornman, Robert S; Mazik, Patricia M; Blazer, Vicki S

    2016-12-01

    Environmental studies increasingly identify the presence of both contaminants of emerging concern (CECs) and legacy contaminants in aquatic environments; however, the biological effects of these compounds on resident fishes remain largely unknown. High throughput methodologies were employed to establish partial transcriptomes for three wild-caught, non-model fish species; smallmouth bass (Micropterus dolomieu), white sucker (Catostomus commersonii) and brown bullhead (Ameiurus nebulosus). Sequences from these transcriptome databases were utilized in the development of a custom nCounter CodeSet that allowed for direct multiplexed measurement of 50 transcript abundance endpoints in liver tissue. Sequence information was also utilized in the development of quantitative real-time PCR (qPCR) primers. Cross-species hybridization allowed the smallmouth bass nCounter CodeSet to be used for quantitative transcript abundance analysis of an additional non-model species, largemouth bass (Micropterus salmoides). We validated the nCounter analysis data system with qPCR for a subset of genes and confirmed concordant results. Changes in transcript abundance biomarkers between sexes and seasons were evaluated to provide baseline data on transcript modulation for each species of interest. Published by Elsevier Inc.

  6. A novel reductive amination method with isotopic formaldehydes for the preparation of internal standard and standards for determining organosulfur compounds in garlic.

    PubMed

    Tsai, De-Cheng; Liu, Meng-Chieh; Lin, Yi-Reng; Huang, Mei-Fang; Liang, Shih-Shin

    2016-04-15

    Garlic (Allium sativum) is a long-cultivated plant that is widely utilized in cooking and has been employed as a medicine for over 4000 years. In this study, we fabricated standards and internal standards (ISs) for absolute quantification via reductive amination with isotopic formaldehydes. Garlic has four abundant organosulfur compounds (OSCs): S-allylcysteine, S-allylcysteinine sulfoxide, S-methylcysteine, and S-ethylcysteine are abundant in garlic. OSCs with primary amine groups were reacted with isotopic formaldehydes to synthesize ISs and standards. Cooked and uncooked garlic samples were compared, and we utilized tandem mass spectrometry equipped with a selective reaction monitoring technique to absolutely quantify the four organosulfur compounds. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. A new species of Trichoderma hypoxylon harbours abundant secondary metabolites.

    PubMed

    Sun, Jingzu; Pei, Yunfei; Li, Erwei; Li, Wei; Hyde, Kevin D; Yin, Wen-Bing; Liu, Xingzhong

    2016-11-21

    Some species of Trichoderma are fungicolous on fungi and have been extensively studied and commercialized as biocontrol agents. Multigene analyses coupled with morphology, resulted in the discovery of T. hypoxylon sp. nov., which was isolated from surface of the stroma of Hypoxylon anthochroum. The new taxon produces Trichoderma- to Verticillium-like conidiophores and hyaline conidia. Phylogenetic analyses based on combined ITS, TEF1-α and RPB2 sequence data indicated that T. hypoxylon is a well-distinguished species with strong bootstrap support in the polysporum group. Chemical assessment of this species reveals a richness of secondary metabolites with trichothecenes and epipolythiodiketopiperazines as the major compounds. The fungicolous life style of T. hypoxylon and the production of abundant metabolites are indicative of the important ecological roles of this species in nature.

  8. Discrimination Between Human Leukocyte Antigen Class I-Bound and Co-Purified HIV-Derived Peptides in Immunopeptidomics Workflows

    PubMed Central

    Partridge, Thomas; Nicastri, Annalisa; Kliszczak, Anna E.; Yindom, Louis-Marie; Kessler, Benedikt M.; Ternette, Nicola; Borrow, Persephone

    2018-01-01

    Elucidation of novel peptides presented by human leukocyte antigen (HLA) class I alleles by immunopeptidomics constitutes a powerful approach that can inform the rational design of CD8+ T cell inducing vaccines to control infection with pathogens such as human immunodeficiency virus type 1 (HIV-1) or to combat tumors. Recent advances in the sensitivity of liquid chromatography tandem mass spectrometry instrumentation have facilitated the discovery of thousands of natural HLA-restricted peptides in a single measurement. However, the extent of contamination of class I-bound peptides identified using HLA immunoprecipitation (IP)-based immunopeptidomics approaches with peptides from other sources has not previously been evaluated in depth. Here, we investigated the specificity of the IP-based immunopeptidomics methodology using HLA class I- or II-deficient cell lines and membrane protein-specific antibody IPs. We demonstrate that the 721.221 B lymphoblastoid cell line, widely regarded to be HLA class Ia-deficient, actually expresses and presents peptides on HLA-C*01:02. Using this cell line and the C8166 (HLA class I- and II-expressing) cell line, we show that some HLA class II-bound peptides were co-purified non-specifically during HLA class I and membrane protein IPs. Furthermore, IPs of “irrelevant” membrane proteins from HIV-1-infected HLA class I- and/or II-expressing cells revealed that unusually long HIV-1-derived peptides previously reported by us and other immunopeptidomics studies as potentially novel CD8+ T cell epitopes were non-specifically co-isolated, and so constitute a source of contamination in HLA class I IPs. For example, a 16-mer (FLGKIWPSYKGRPGNF), which was detected in all samples studied represents the full p1 segment of the abundant intracellular or virion-associated proteolytically-processed HIV-1 Gag protein. This result is of importance, as these long co-purified HIV-1 Gag peptides may not elicit CD8+ T cell responses when incorporated

  9. Individual organic compounds in water extracts from podzolic soils of the Komi Republic

    NASA Astrophysics Data System (ADS)

    Shamrikova, E. V.; Punegov, V. V.; Gruzdev, I. V.; Vanchikova, E. V.; Vetoshkina, A. A.

    2012-10-01

    The contents of organic compounds in water extracts from organic horizons of loamy soils with different water contents from the medium taiga zone of the Komi Republic were determined by gas-liquid chromatography and chromatography-mass spectrometry. The mass concentration of organic carbon in the extracts was in the range of 290-330 mg/dm3; the mass fraction of the carbon from the identified compounds was 0.5-1.9%. Hydrocarbons made up about 60% of the total identified compounds; acids and their derivatives composed less than 40%. Most of the acids (40-70%) were aliphatic hydroxy acids. The tendencies in the formation of different classes of organic compounds were revealed depending on the degree of the soil hydromorphism. The acid properties of the water-soluble compounds were studied by pK spectroscopy. Five groups of compounds containing acid groups with similar pKa values were revealed. The compounds containing groups with pKa < 4.0 were predominant. The increase in the surface wetting favored the formation of compounds with pKa 3.2-4.0 and 7.4-8.4.

  10. Identification of Three Classes of Heteroaromatic Compounds with Activity against Intracellular Trypanosoma cruzi by Chemical Library Screening

    PubMed Central

    Bettiol, Esther; Samanovic, Marie; Murkin, Andrew S.; Raper, Jayne; Buckner, Frederick; Rodriguez, Ana

    2009-01-01

    The development of new drugs against Chagas disease is a priority since the currently available medicines have toxic effects, partial efficacy and are targeted against the acute phase of disease. At present, there is no drug to treat the chronic stage. In this study, we have optimized a whole cell-based assay for high throughput screening of compounds that inhibit infection of mammalian cells by Trypanosoma cruzi trypomastigotes. A 2000-compound chemical library was screened using a recombinant T. cruzi (Tulahuen strain) expressing β-galactosidase. Three hits were selected for their high activity against T. cruzi and low toxicity to host cells in vitro: PCH1, NT1 and CX1 (IC50: 54, 190 and 23 nM, respectively). Each of these three compounds presents a different mechanism of action on intracellular proliferation of T. cruzi amastigotes. CX1 shows strong trypanocidal activity, an essential characteristic for the development of drugs against the chronic stage of Chagas disease where parasites are found intracellular in a quiescent stage. NT1 has a trypanostatic effect, while PCH1 affects parasite division. The three compounds also show high activity against intracellular T. cruzi from the Y strain and against the related kinetoplastid species Leishmania major and L. amazonensis. Characterization of the anti–T. cruzi activity of molecules chemically related to the three library hits allowed the selection of two compounds with IC50 values of 2 nM (PCH6 and CX2). These values are approximately 100 times lower than those of the medicines used in patients against T. cruzi. These results provide new candidate molecules for the development of treatments against Chagas disease and leishmaniasis. PMID:19238193

  11. Identification of three classes of heteroaromatic compounds with activity against intracellular Trypanosoma cruzi by chemical library screening.

    PubMed

    Bettiol, Esther; Samanovic, Marie; Murkin, Andrew S; Raper, Jayne; Buckner, Frederick; Rodriguez, Ana

    2009-01-01

    The development of new drugs against Chagas disease is a priority since the currently available medicines have toxic effects, partial efficacy and are targeted against the acute phase of disease. At present, there is no drug to treat the chronic stage. In this study, we have optimized a whole cell-based assay for high throughput screening of compounds that inhibit infection of mammalian cells by Trypanosoma cruzi trypomastigotes. A 2000-compound chemical library was screened using a recombinant T. cruzi (Tulahuen strain) expressing beta-galactosidase. Three hits were selected for their high activity against T. cruzi and low toxicity to host cells in vitro: PCH1, NT1 and CX1 (IC(50): 54, 190 and 23 nM, respectively). Each of these three compounds presents a different mechanism of action on intracellular proliferation of T. cruzi amastigotes. CX1 shows strong trypanocidal activity, an essential characteristic for the development of drugs against the chronic stage of Chagas disease where parasites are found intracellular in a quiescent stage. NT1 has a trypanostatic effect, while PCH1 affects parasite division. The three compounds also show high activity against intracellular T. cruzi from the Y strain and against the related kinetoplastid species Leishmania major and L. amazonensis. Characterization of the anti-T. cruzi activity of molecules chemically related to the three library hits allowed the selection of two compounds with IC(50) values of 2 nM (PCH6 and CX2). These values are approximately 100 times lower than those of the medicines used in patients against T. cruzi. These results provide new candidate molecules for the development of treatments against Chagas disease and leishmaniasis.

  12. Mapping of trophic states based on nutrients concentration and phytoplankton abundance in Jatibarang Reservoir

    NASA Astrophysics Data System (ADS)

    Rudiyanti, Siti; Anggoro, Sutrisno; Rahman, Arif

    2018-02-01

    Jatibarang Reservoir is one of the Indonesian Reservoirs, which used for human activities such as tourism and agriculture. These activities will provide input of organic matter and nutrients into the water. These materials will impact water quality and eutrophication process. Eutrophication is the water enrichment by nutrients, especially nitrogen and phosphorus which can promote the growth of phytoplankton. Some indicators of eutrophication are increasing nutrients, trophic states, and change of phytoplankton composition. The relationship between water quality and phytoplankton community can be used as an indicator of trophic states in Jatibarang Reservoir. The aim of this study was to analyze the effect of nutrients concentration and phytoplankton abundance to the trophic states and mapping trophic states based on nutrients concentration and phytoplankton in Jatibarang Reservoir. This study was conducted in June and July 2017 at 9 stations around Jatibarang Reservoir. The results showed that average concentration of nitrate, phosphate, and chlorophyll-a in Jatibarang Reservoir was 0.69 mg/L, 0.27 mg/L, and 1.66 mg/m3, respectively. The phytoplankton abundance ranged 16-62,200 cells/L, consists of 21 genera of four classes, i.e. Chlorophyceae, Cyanophyceae, Bacillariophyceae, and Dinophyceae. Cyanophyceae was a dominant phytoplankton group based on the composition of abundance (>80%). High nutrient concentrations and phytoplankton dominated by Anabaena (Cyanophyceae) which indicated that the waters in Jatibarang Reservoir were eutrophic.

  13. Multidimensional metrics for estimating phage abundance, distribution, gene density, and sequence coverage in metagenomes

    PubMed Central

    Aziz, Ramy K.; Dwivedi, Bhakti; Akhter, Sajia; Breitbart, Mya; Edwards, Robert A.

    2015-01-01

    Phages are the most abundant biological entities on Earth and play major ecological roles, yet the current sequenced phage genomes do not adequately represent their diversity, and little is known about the abundance and distribution of these sequenced genomes in nature. Although the study of phage ecology has benefited tremendously from the emergence of metagenomic sequencing, a systematic survey of phage genes and genomes in various ecosystems is still lacking, and fundamental questions about phage biology, lifestyle, and ecology remain unanswered. To address these questions and improve comparative analysis of phages in different metagenomes, we screened a core set of publicly available metagenomic samples for sequences related to completely sequenced phages using the web tool, Phage Eco-Locator. We then adopted and deployed an array of mathematical and statistical metrics for a multidimensional estimation of the abundance and distribution of phage genes and genomes in various ecosystems. Experiments using those metrics individually showed their usefulness in emphasizing the pervasive, yet uneven, distribution of known phage sequences in environmental metagenomes. Using these metrics in combination allowed us to resolve phage genomes into clusters that correlated with their genotypes and taxonomic classes as well as their ecological properties. We propose adding this set of metrics to current metaviromic analysis pipelines, where they can provide insight regarding phage mosaicism, habitat specificity, and evolution. PMID:26005436

  14. Multidimensional metrics for estimating phage abundance, distribution, gene density, and sequence coverage in metagenomes

    DOE PAGES

    Aziz, Ramy K.; Dwivedi, Bhakti; Akhter, Sajia; ...

    2015-05-08

    Phages are the most abundant biological entities on Earth and play major ecological roles, yet the current sequenced phage genomes do not adequately represent their diversity, and little is known about the abundance and distribution of these sequenced genomes in nature. Although the study of phage ecology has benefited tremendously from the emergence of metagenomic sequencing, a systematic survey of phage genes and genomes in various ecosystems is still lacking, and fundamental questions about phage biology, lifestyle, and ecology remain unanswered. To address these questions and improve comparative analysis of phages in different metagenomes, we screened a core set ofmore » publicly available metagenomic samples for sequences related to completely sequenced phages using the web tool, Phage Eco-Locator. We then adopted and deployed an array of mathematical and statistical metrics for a multidimensional estimation of the abundance and distribution of phage genes and genomes in various ecosystems. Experiments using those metrics individually showed their usefulness in emphasizing the pervasive, yet uneven, distribution of known phage sequences in environmental metagenomes. Using these metrics in combination allowed us to resolve phage genomes into clusters that correlated with their genotypes and taxonomic classes as well as their ecological properties. By adding this set of metrics to current metaviromic analysis pipelines, where they can provide insight regarding phage mosaicism, habitat specificity, and evolution.« less

  15. Multidimensional metrics for estimating phage abundance, distribution, gene density, and sequence coverage in metagenomes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Aziz, Ramy K.; Dwivedi, Bhakti; Akhter, Sajia

    Phages are the most abundant biological entities on Earth and play major ecological roles, yet the current sequenced phage genomes do not adequately represent their diversity, and little is known about the abundance and distribution of these sequenced genomes in nature. Although the study of phage ecology has benefited tremendously from the emergence of metagenomic sequencing, a systematic survey of phage genes and genomes in various ecosystems is still lacking, and fundamental questions about phage biology, lifestyle, and ecology remain unanswered. To address these questions and improve comparative analysis of phages in different metagenomes, we screened a core set ofmore » publicly available metagenomic samples for sequences related to completely sequenced phages using the web tool, Phage Eco-Locator. We then adopted and deployed an array of mathematical and statistical metrics for a multidimensional estimation of the abundance and distribution of phage genes and genomes in various ecosystems. Experiments using those metrics individually showed their usefulness in emphasizing the pervasive, yet uneven, distribution of known phage sequences in environmental metagenomes. Using these metrics in combination allowed us to resolve phage genomes into clusters that correlated with their genotypes and taxonomic classes as well as their ecological properties. By adding this set of metrics to current metaviromic analysis pipelines, where they can provide insight regarding phage mosaicism, habitat specificity, and evolution.« less

  16. Predicting the Dynamics of Protein Abundance

    PubMed Central

    Mehdi, Ahmed M.; Patrick, Ralph; Bailey, Timothy L.; Bodén, Mikael

    2014-01-01

    Protein synthesis is finely regulated across all organisms, from bacteria to humans, and its integrity underpins many important processes. Emerging evidence suggests that the dynamic range of protein abundance is greater than that observed at the transcript level. Technological breakthroughs now mean that sequencing-based measurement of mRNA levels is routine, but protocols for measuring protein abundance remain both complex and expensive. This paper introduces a Bayesian network that integrates transcriptomic and proteomic data to predict protein abundance and to model the effects of its determinants. We aim to use this model to follow a molecular response over time, from condition-specific data, in order to understand adaptation during processes such as the cell cycle. With microarray data now available for many conditions, the general utility of a protein abundance predictor is broad. Whereas most quantitative proteomics studies have focused on higher organisms, we developed a predictive model of protein abundance for both Saccharomyces cerevisiae and Schizosaccharomyces pombe to explore the latitude at the protein level. Our predictor primarily relies on mRNA level, mRNA–protein interaction, mRNA folding energy and half-life, and tRNA adaptation. The combination of key features, allowing for the low certainty and uneven coverage of experimental observations, gives comparatively minor but robust prediction accuracy. The model substantially improved the analysis of protein regulation during the cell cycle: predicted protein abundance identified twice as many cell-cycle-associated proteins as experimental mRNA levels. Predicted protein abundance was more dynamic than observed mRNA expression, agreeing with experimental protein abundance from a human cell line. We illustrate how the same model can be used to predict the folding energy of mRNA when protein abundance is available, lending credence to the emerging view that mRNA folding affects translation

  17. Predicting the dynamics of protein abundance.

    PubMed

    Mehdi, Ahmed M; Patrick, Ralph; Bailey, Timothy L; Bodén, Mikael

    2014-05-01

    Protein synthesis is finely regulated across all organisms, from bacteria to humans, and its integrity underpins many important processes. Emerging evidence suggests that the dynamic range of protein abundance is greater than that observed at the transcript level. Technological breakthroughs now mean that sequencing-based measurement of mRNA levels is routine, but protocols for measuring protein abundance remain both complex and expensive. This paper introduces a Bayesian network that integrates transcriptomic and proteomic data to predict protein abundance and to model the effects of its determinants. We aim to use this model to follow a molecular response over time, from condition-specific data, in order to understand adaptation during processes such as the cell cycle. With microarray data now available for many conditions, the general utility of a protein abundance predictor is broad. Whereas most quantitative proteomics studies have focused on higher organisms, we developed a predictive model of protein abundance for both Saccharomyces cerevisiae and Schizosaccharomyces pombe to explore the latitude at the protein level. Our predictor primarily relies on mRNA level, mRNA-protein interaction, mRNA folding energy and half-life, and tRNA adaptation. The combination of key features, allowing for the low certainty and uneven coverage of experimental observations, gives comparatively minor but robust prediction accuracy. The model substantially improved the analysis of protein regulation during the cell cycle: predicted protein abundance identified twice as many cell-cycle-associated proteins as experimental mRNA levels. Predicted protein abundance was more dynamic than observed mRNA expression, agreeing with experimental protein abundance from a human cell line. We illustrate how the same model can be used to predict the folding energy of mRNA when protein abundance is available, lending credence to the emerging view that mRNA folding affects translation efficiency

  18. Naturally occurring fatty acids: Source, chemistry, and uses

    USDA-ARS?s Scientific Manuscript database

    Natural occurring fatty acids are a large and complex class of compounds found in plants and animals. Fatty acids are abundant and of interest because of their renewability, biodegradability, biocompatibility, low cost, and fascinating chemistry. Of the many fatty acids, only 20-25 of them are widel...

  19. Prioritizing pesticide compounds for analytical methods development

    USGS Publications Warehouse

    Norman, Julia E.; Kuivila, Kathryn; Nowell, Lisa H.

    2012-01-01

    compounds are high priority as new analytes. The objective for analytical methods development is to design an integrated analytical strategy that includes as many of the Tier 1 pesticide compounds as possible in a relatively few, cost-effective methods. More than 60 percent of the Tier 1 compounds are high priority because they are anticipated to be present at concentrations approaching levels that could be of concern to human health or aquatic life in surface water or groundwater. An additional 17 percent of Tier 1 compounds were frequently detected in monitoring studies, but either were not measured at levels potentially relevant to humans or aquatic organisms, or do not have benchmarks available with which to compare concentrations. The remaining 21 percent are pesticide degradates that were included because their parent pesticides were in Tier 1. Tier 1 pesticide compounds for water span all major pesticide use groups and a diverse range of chemical classes, with herbicides and their degradates composing half of compounds. Many of the high priority pesticide compounds also are in several national regulatory programs for water, including those that are regulated in drinking water by the U.S. Environmental Protection Agency under the Safe Drinking Water Act and those that are on the latest Contaminant Candidate List. For sediment, a total of 175 pesticide compounds were classified as Tier 1 and, thus, are high priority for inclusion in analytical methods available for monitoring and studies. More than 60 percent of these compounds are included in some USGS analytical method; however, some are spread across several research methods that are expensive to perform, and monitoring data are not extensive for many compounds. The remaining Tier 1 compounds for sediment are high priority as new analytes. The objective for analytical methods development for sediment is to enhance an existing analytical method that currently includes nearly half of the pesticide compounds in Tier 1

  20. A Peptide Filtering Relation Quantifies MHC Class I Peptide Optimization

    PubMed Central

    Goldstein, Leonard D.; Howarth, Mark; Cardelli, Luca; Emmott, Stephen; Elliott, Tim; Werner, Joern M.

    2011-01-01

    Major Histocompatibility Complex (MHC) class I molecules enable cytotoxic T lymphocytes to destroy virus-infected or cancerous cells, thereby preventing disease progression. MHC class I molecules provide a snapshot of the contents of a cell by binding to protein fragments arising from intracellular protein turnover and presenting these fragments at the cell surface. Competing fragments (peptides) are selected for cell-surface presentation on the basis of their ability to form a stable complex with MHC class I, by a process known as peptide optimization. A better understanding of the optimization process is important for our understanding of immunodominance, the predominance of some T lymphocyte specificities over others, which can determine the efficacy of an immune response, the danger of immune evasion, and the success of vaccination strategies. In this paper we present a dynamical systems model of peptide optimization by MHC class I. We incorporate the chaperone molecule tapasin, which has been shown to enhance peptide optimization to different extents for different MHC class I alleles. Using a combination of published and novel experimental data to parameterize the model, we arrive at a relation of peptide filtering, which quantifies peptide optimization as a function of peptide supply and peptide unbinding rates. From this relation, we find that tapasin enhances peptide unbinding to improve peptide optimization without significantly delaying the transit of MHC to the cell surface, and differences in peptide optimization across MHC class I alleles can be explained by allele-specific differences in peptide binding. Importantly, our filtering relation may be used to dynamically predict the cell surface abundance of any number of competing peptides by MHC class I alleles, providing a quantitative basis to investigate viral infection or disease at the cellular level. We exemplify this by simulating optimization of the distribution of peptides derived from Human

  1. Defence strategies and antibiotic resistance gene abundance in enterococci under stress by exposure to low doses of peracetic acid.

    PubMed

    Turolla, Andrea; Sabatino, Raffaella; Fontaneto, Diego; Eckert, Ester M; Colinas, Noemi; Corno, Gianluca; Citterio, Barbara; Biavasco, Francesca; Antonelli, Manuela; Mauro, Alessandro; Mangiaterra, Gianmarco; Di Cesare, Andrea

    2017-10-01

    Peracetic acid (PAA) is an organic compound used efficiently as disinfectant in wastewater treatments. Yet, at low doses it may cause selection; thus, the effect of low doses of PAA on Enterococcus faecium as a proxy of human-related microbial waste was evaluated. Bacteria were treated with increasing doses of PAA (from 0 to 25 mg L -1 min) and incubated in regrowth experiments under non-growing, limiting conditions and under growing, favorable conditions. The changes in bacterial abundance, in bacterial phenotype (number and composition of small cell clusters), and in the abundance of an antibiotic resistance gene (ARG) was evaluated. The experiment demonstrated that the selected doses of PAA efficiently removed enterococci, and induced a long-lasting effect after PAA inactivation. The relative abundance of small clusters increased during the experiment when compared with that of the inoculum. Moreover, under growing favorable conditions the relative abundance of small clusters decreased and the number of cells per cluster increased with increasing PAA doses. A strong stability of the measured ARG was found, not showing any effect during the whole experiment. The results demonstrated the feasibility of low doses of PAA to inactivate bacteria. However, the stress induced by PAA disinfection promoted a bacterial adaptation, even if potentially without affecting the abundance of the ARG. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Tetrahydrocarbazoles are a novel class of potent P-type ATPase inhibitors with antifungal activity

    PubMed Central

    Bublitz, Maike; Kjellerup, Lasse; Cohrt, Karen O’Hanlon; Gordon, Sandra; Mortensen, Anne Louise; Clausen, Johannes D.; Pallin, Thomas David; Hansen, John Bondo; Fuglsang, Anja Thoe; Dalby-Brown, William

    2018-01-01

    We have identified a series of tetrahydrocarbazoles as novel P-type ATPase inhibitors. Using a set of rationally designed analogues, we have analyzed their structure-activity relationship using functional assays, crystallographic data and computational modeling. We found that tetrahydrocarbazoles inhibit adenosine triphosphate (ATP) hydrolysis of the fungal H+-ATPase, depolarize the fungal plasma membrane and exhibit broad-spectrum antifungal activity. Comparative inhibition studies indicate that many tetrahydrocarbazoles also inhibit the mammalian Ca2+-ATPase (SERCA) and Na+,K+-ATPase with an even higher potency than Pma1. We have located the binding site for this compound class by crystallographic structure determination of a SERCA-tetrahydrocarbazole complex to 3.0 Å resolution, finding that the compound binds to a region above the ion inlet channel of the ATPase. A homology model of the Candida albicans H+-ATPase based on this crystal structure, indicates that the compounds could bind to the same pocket and identifies pocket extensions that could be exploited for selectivity enhancement. The results of this study will aid further optimization towards selective H+-ATPase inhibitors as a new class of antifungal agents. PMID:29293507

  3. Water abstraction affects abundance, size-structure and growth of two threatened cyprinid fishes

    PubMed Central

    Merciai, Roberto; Molons-Sierra, Carlota; Sabater, Sergi; García-Berthou, Emili

    2017-01-01

    Hydrologic alteration is a major threat to freshwater biota, and particularly fish, in many river courses around the world. We analyzed and compared the effects of water abstraction on two threatened cyprinid fishes of contrasting ecology (the Mediterranean barbel Barbus meridionalis and the Catalan chub Squalius laietanus) in a Mediterranean stream. We compared abundance, size-structure, growth, and condition of both species across perennial and artificially intermittent reaches affected by water abstraction. Both species were less abundant, had scarce large individuals, and displayed slower growth rates (length-at-age) in intermittent reaches, showing clear detrimental effects of water diversion. Mixed-effect models of scale increments showed variation among individuals and among sites, years and age classes for both species. The larger-sized, water-column species (chub) disappeared or was rare in many intermittent reaches. The barbel present in intermittent reaches showed better somatic condition than in sites with permanent flow, perhaps due to reduced competition after rewetting or colonization by better fitted individuals. This benthic, rheophilic species seems more resilient to moderate water abstraction than chub. Many effects of water flow intermittency were only detected on fish life-history traits when accounting for natural, often non-linear, variation, along upstream-downstream gradients. Our results suggest that abundance was the strongest indicator of effects of water abstraction on fish populations, whereas condition was a more labile trait, rapidly recovering from anthropogenic disturbance. PMID:28414787

  4. ABUNDANT OR RARE? A HYBRID APPROACH FOR DETERMINING SPECIES RELATIVE ABUNDANCE AT AN ECOREGOIONAL SCALE

    EPA Science Inventory

    Everyone knows what abundant and rare species are, but quantifying the concept proves elusive. As part of an EPA/USGS project to assess near-coastal species vulnerability to climate change affects, we designed a hybrid approach to determine species relative abundance at an ecoreg...

  5. A search for stars of very low metal abundance. VI. Detailed abundances of 313 metal-poor stars

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Roederer, Ian U.; Preston, George W.; Thompson, Ian B.

    2014-06-01

    We present radial velocities, equivalent widths, model atmosphere parameters, and abundances or upper limits for 53 species of 48 elements derived from high resolution optical spectroscopy of 313 metal-poor stars. A majority of these stars were selected from the metal-poor candidates of the HK Survey of Beers, Preston, and Shectman. We derive detailed abundances for 61% of these stars for the first time. Spectra were obtained during a 10 yr observing campaign using the Magellan Inamori Kyocera Echelle spectrograph on the Magellan Telescopes at Las Campanas Observatory, the Robert G. Tull Coudé Spectrograph on the Harlan J. Smith Telescope atmore » McDonald Observatory, and the High Resolution Spectrograph on the Hobby-Eberly Telescope at McDonald Observatory. We perform a standard LTE abundance analysis using MARCS model atmospheres, and we apply line-by-line statistical corrections to minimize systematic abundance differences arising when different sets of lines are available for analysis. We identify several abundance correlations with effective temperature. A comparison with previous abundance analyses reveals significant differences in stellar parameters, which we investigate in detail. Our metallicities are, on average, lower by ≈0.25 dex for red giants and ≈0.04 dex for subgiants. Our sample contains 19 stars with [Fe/H] ≤–3.5, 84 stars with [Fe/H] ≤–3.0, and 210 stars with [Fe/H] ≤–2.5. Detailed abundances are presented here or elsewhere for 91% of the 209 stars with [Fe/H] ≤–2.5 as estimated from medium resolution spectroscopy by Beers, Preston, and Shectman. We will discuss the interpretation of these abundances in subsequent papers.« less

  6. Climate and local abundance in freshwater fishes

    PubMed Central

    Knouft, Jason H.; Anthony, Melissa M.

    2016-01-01

    Identifying factors regulating variation in numbers of individuals among populations across a species' distribution is a fundamental goal in ecology. A common prediction, often referred to as the abundant-centre hypothesis, suggests that abundance is highest near the centre of a species' range. However, because of the primary focus on the geographical position of a population, this framework provides little insight into the environmental factors regulating local abundance. While range-wide variation in population abundance associated with environmental conditions has been investigated in terrestrial species, the relationship between climate and local abundance in freshwater taxa across species' distributions is not well understood. We used GIS-based temperature and precipitation data to determine the relationships between climatic conditions and range-wide variation in local abundance for 19 species of North American freshwater fishes. Climate predicted a portion of the variation in local abundance among populations for 18 species. In addition, the relationship between climatic conditions and local abundance varied among species, which is expected as lineages partition the environment across geographical space. The influence of local habitat quality on species persistence is well documented; however, our results also indicate the importance of climate in regulating population sizes across a species geographical range, even in aquatic taxa. PMID:27429769

  7. Nonimaging compound parabolic concentrator-type reflectors with variable extreme direction.

    PubMed

    Gordon, J M; Rabl, A

    1992-12-01

    The properties of nonimaging compound parabolic concentrator (CPC)-type devices are examined in which the extreme direction is not constant but rather is a variable that can change along the reflector. One can then retain the maximal concentration or radiative efficiency of the CPC while the flux map on the absorber or target is modified, depending on whether the device is used for optical concentration or for lighting. Two general classes of reflector are derived, and all the nonimaging devices developed to date are shown to be special cases of the general solution. These two classes are the nonimaging analog of converging and diverging devices of imaging optics.

  8. Design of a general-purpose European compound screening library for EU-OPENSCREEN.

    PubMed

    Horvath, Dragos; Lisurek, Michael; Rupp, Bernd; Kühne, Ronald; Specker, Edgar; von Kries, Jens; Rognan, Didier; Andersson, C David; Almqvist, Fredrik; Elofsson, Mikael; Enqvist, Per-Anders; Gustavsson, Anna-Lena; Remez, Nikita; Mestres, Jordi; Marcou, Gilles; Varnek, Alexander; Hibert, Marcel; Quintana, Jordi; Frank, Ronald

    2014-10-01

    be directly compared with distributions of known bioactives of various classes. This mapping highlights the relevance of the selection and shows how the consensus reached by merging the five different 40K selections contributes to achieve this relevance. The approach also allows one to readily identify subsets of target- or target-class-oriented compounds from the EU-OPENSCREEN library to suit the needs of the diverse range of potential users. The final EU-OPENSCREEN library, assembled by merging five independent selections of 40K compounds from various expert groups, represents an excellent example of a Europe-wide collaborative effort toward the common objective of building best-in-class European open screening platforms. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Rapid Screening of Volatile Organic Compounds from Aframomum danielli Seeds Using Headspace Solid Phase Microextraction Coupled to Gas Chromatography Mass Spectrometry

    PubMed Central

    Njobeh, Patrick B.; Gbashi, Sefater; Adegoke, Gabriel O.; Dubery, Ian A.

    2018-01-01

    Volatile organic compounds (VOCs) derived from plants have been used in the fragrance industry since time immemorial. Herein we report on the rapid screening of VOCs from seeds of ripe Aframomum danielli (family, Zingiberaceae) using a polydimethylsiloxane fibre headspace solid phase microextraction coupled to a gas chromatography mass spectrometry (SPME-GC/MS) instrument. Portions of 0.25, 0.35, and 0.50 g of ground sample were weighed and extraction of volatile organic compounds (VOCs) was achieved using a 100 μm polydimethylsiloxane solid phase microextraction (PDMS SPME) fibre, with the equilibrium time of 40 minutes and extraction temperature of 50°C; the following compounds with their respective relative abundances were obtained as the top ten most abundant and annotated ones using NIST, Wiley, and Fragrances Libraries: eucalyptol (58%); β-pinene (22%); α-pinene (7.5%); α-terpineol (4%), α-terpinyl acetate (2%); α-bergamotene (1%); pinocarveol (0.39%); α-copaene (0.35%); caryophyllene (0.34); and β-bisabolene (0.31%). These compounds have been reported elsewhere in the literature and listed in the Fragrances Library, incorporated into the Saturn QP2020 GCMS Solution® software used for their analysis. PMID:29849643

  10. Beryllium and Boron abundances in population II stars

    NASA Technical Reports Server (NTRS)

    1995-01-01

    The scientific focus of this program was to undertake UV spectroscopic abundance analyses of extremely metal poor stars with attention to determining abundances of light elements such as beryllium and boron. The abundances are likely to reflect primordial abundances within the early galaxy and help to constrain models for early galactic nucleosynthesis. The general metal abundances of these stars are also important for understanding stellar evolution.

  11. Relative foraminiferan abundance as an indicator of seagrass sediment health:

    NASA Astrophysics Data System (ADS)

    Cajandig, P.; Quiros, A.; Nolan, H.; Tallman, R.; Cooper, N.; Ayala, J.; Courtier, C.

    2013-12-01

    Authors: Patrick Cajandig*, Jose Ayala**, Nathaniel Cooper**, Catherine Courtier**, Hannah Nolan**, Rachelle Tallman**, T.E. Angela L. Quiros** * Davis High-School CA, **University of California Santa Cruz, Ecology and Evolutionary Biology Department Seagrasses are a key component in coastal ecosystems. Found in shallow marine environments, they make a large contribution to coastal ecosystem health by sustaining water quality, stabilizing the sea bottom, and providing habitat as well as food for other organisms. Seagrasses accumulate tiny grains of sediment, increasing water clarity. Just like barren hills are prone to erosion compared to vegetated, rooted down hills, we find a similar situation in the ocean. Seagrasses have broad roots that extend vertically and horizontally to help stabilize the seabed. Seagrasses support a whole ecosystem, because some organisms feed off of the seagrass alone, while others feed off the inhabitants of the seagrass. The quality of sediment is a vital part of seagrass health, just like nutrient rich soils are important to land plants. But what in seagrass sediment is a good indication of health? We hypothesize that seagrass health measures such as percent cover and seagrass species diversity are related to the abundance of foraminiferans relative to other seagrass sediment components. My mentor, T. E. Angela L. Quiros, from the University of California, Santa Cruz (UCSC), collected the sediment samples from seagrass beds in the Philippines. Samples were dried and brought to UCSC for sediment sieving. We used different sized sieves to sort the sediment. These sieves ranged from coarse to very fine sieves (Phi -2.0 (coarse) through +3.0 (fine) going in 0.5 intervals on a log scale). We weighed the sediment that was caught in each tray and separated them into bags of different size classes. To analyze each sample, we subsampled four size classes (Phi's -2.0, -1.5,-1.0, 0.0), and used a dissecting scope to identify and then weigh the

  12. Chemical Abundances of Main-sequence, Turnoff, Subgiant, and Red Giant Stars from APOGEE Spectra. I. Signatures of Diffusion in the Open Cluster M67

    NASA Astrophysics Data System (ADS)

    Souto, Diogo; Cunha, Katia; Smith, Verne V.; Allende Prieto, C.; García-Hernández, D. A.; Pinsonneault, Marc; Holzer, Parker; Frinchaboy, Peter; Holtzman, Jon; Johnson, J. A.; Jönsson, Henrik; Majewski, Steven R.; Shetrone, Matthew; Sobeck, Jennifer; Stringfellow, Guy; Teske, Johanna; Zamora, Olga; Zasowski, Gail; Carrera, Ricardo; Stassun, Keivan; Fernandez-Trincado, J. G.; Villanova, Sandro; Minniti, Dante; Santana, Felipe

    2018-04-01

    Detailed chemical abundance distributions for 14 elements are derived for eight high-probability stellar members of the solar metallicity old open cluster M67 with an age of ∼4 Gyr. The eight stars consist of four pairs, with each pair occupying a distinct phase of stellar evolution: two G dwarfs, two turnoff stars, two G subgiants, and two red clump (RC) K giants. The abundance analysis uses near-IR high-resolution spectra (λ1.5–1.7 μm) from the Apache Point Observatory Galactic Evolution Experiment survey and derives abundances for C, N, O, Na, Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, and Fe. Our derived stellar parameters and metallicity for 2M08510076+1153115 suggest that this star is a solar twin, exhibiting abundance differences relative to the Sun of ≤0.04 dex for all elements. Chemical homogeneity is found within each class of stars (∼0.02 dex), while significant abundance variations (∼0.05–0.20 dex) are found across the different evolutionary phases; the turnoff stars typically have the lowest abundances, while the RCs tend to have the largest. Non-LTE corrections to the LTE-derived abundances are unlikely to explain the differences. A detailed comparison of the derived Fe, Mg, Si, and Ca abundances with recently published surface abundances from stellar models that include chemical diffusion provides a good match between the observed and predicted abundances as a function of stellar mass. Such agreement would indicate the detection of chemical diffusion processes in the stellar members of M67.

  13. Modeling abundance effects in distance sampling

    USGS Publications Warehouse

    Royle, J. Andrew; Dawson, D.K.; Bates, S.

    2004-01-01

    Distance-sampling methods are commonly used in studies of animal populations to estimate population density. A common objective of such studies is to evaluate the relationship between abundance or density and covariates that describe animal habitat or other environmental influences. However, little attention has been focused on methods of modeling abundance covariate effects in conventional distance-sampling models. In this paper we propose a distance-sampling model that accommodates covariate effects on abundance. The model is based on specification of the distance-sampling likelihood at the level of the sample unit in terms of local abundance (for each sampling unit). This model is augmented with a Poisson regression model for local abundance that is parameterized in terms of available covariates. Maximum-likelihood estimation of detection and density parameters is based on the integrated likelihood, wherein local abundance is removed from the likelihood by integration. We provide an example using avian point-transect data of Ovenbirds (Seiurus aurocapillus) collected using a distance-sampling protocol and two measures of habitat structure (understory cover and basal area of overstory trees). The model yields a sensible description (positive effect of understory cover, negative effect on basal area) of the relationship between habitat and Ovenbird density that can be used to evaluate the effects of habitat management on Ovenbird populations.

  14. Multiple Classes of Environmental Chemicals are Associated ...

    EPA Pesticide Factsheets

    Biomonitoring of human tissues and fluids has shown that virtually all individuals, worldwide, carry a “body burden” of synthetic chemicals (Thornton et al. 2002; CDC 2009). Although the measurement of an environmental chemical in a person’s tissues or fluids is an indication of exposure, it does not by itself mean that the chemical or the exposure concentration is sufficient to cause a disease or an adverse effect. However, since humans are exposed to multiple chemicals, there may be a combination effect (e.g., additive, synergistic) on health risks associated with exposure even at low levels (Kortenkamp 2008). Further, biomonitoring studies show that humans carry a body burden of multiple classes of contaminants which are often not studied together. We used the 2003-2006 National Health and Nutrition Examination Survey to evaluate the relationship between alanine aminotransferase (ALT) and 53 environmental contaminants across six classes (metals; perfluorinated compounds [PFCs]; phthalates; phenols; coplanar and non-dioxin-like polychlorinated biphenyls [PCBs]) using a novel method.

  15. Selective class IIa histone deacetylase inhibition via a nonchelating zinc-binding group.

    PubMed

    Lobera, Mercedes; Madauss, Kevin P; Pohlhaus, Denise T; Wright, Quentin G; Trocha, Mark; Schmidt, Darby R; Baloglu, Erkan; Trump, Ryan P; Head, Martha S; Hofmann, Glenn A; Murray-Thompson, Monique; Schwartz, Benjamin; Chakravorty, Subhas; Wu, Zining; Mander, Palwinder K; Kruidenier, Laurens; Reid, Robert A; Burkhart, William; Turunen, Brandon J; Rong, James X; Wagner, Craig; Moyer, Mary B; Wells, Carrow; Hong, Xuan; Moore, John T; Williams, Jon D; Soler, Dulce; Ghosh, Shomir; Nolan, Michael A

    2013-05-01

    In contrast to studies on class I histone deacetylase (HDAC) inhibitors, the elucidation of the molecular mechanisms and therapeutic potential of class IIa HDACs (HDAC4, HDAC5, HDAC7 and HDAC9) is impaired by the lack of potent and selective chemical probes. Here we report the discovery of inhibitors that fill this void with an unprecedented metal-binding group, trifluoromethyloxadiazole (TFMO), which circumvents the selectivity and pharmacologic liabilities of hydroxamates. We confirm direct metal binding of the TFMO through crystallographic approaches and use chemoproteomics to demonstrate the superior selectivity of the TFMO series relative to a hydroxamate-substituted analog. We further apply these tool compounds to reveal gene regulation dependent on the catalytic active site of class IIa HDACs. The discovery of these inhibitors challenges the design process for targeting metalloenzymes through a chelating metal-binding group and suggests therapeutic potential for class IIa HDAC enzyme blockers distinct in mechanism and application compared to current HDAC inhibitors.

  16. TR-DB: an open-access database of compounds affecting the ethylene-induced triple response in Arabidopsis.

    PubMed

    Hu, Yuming; Callebert, Pieter; Vandemoortel, Ilse; Nguyen, Long; Audenaert, Dominique; Verschraegen, Luc; Vandenbussche, Filip; Van Der Straeten, Dominique

    2014-02-01

    Small molecules which act as hormone agonists or antagonists represent useful tools in fundamental research and are widely applied in agriculture to control hormone effects. High-throughput screening of large chemical compound libraries has yielded new findings in plant biology, with possible future applications in agriculture and horticulture. To further understand ethylene biosynthesis/signaling and its crosstalk with other hormones, we screened a 12,000 compound chemical library based on an ethylene-related bioassay of dark-grown Arabidopsis thaliana (L.) Heynh. seedlings. From the initial screening, 1313 (∼11%) biologically active small molecules altering the phenotype triggered by the ethylene precursor 1-aminocyclopropane-1-carboxylic acid (ACC), were identified. Selection and sorting in classes were based on the angle of curvature of the apical hook, the length and width of the hypocotyl and the root. A MySQL-database was constructed (https://chaos.ugent.be/WE15/) including basic chemical information on the compounds, images illustrating the phenotypes, phenotype descriptions and classification. The research perspectives for different classes of hit compounds will be evaluated, and some general screening tips for customized high-throughput screening and pitfalls will be discussed. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

  17. Composition of semi-volatile organic compounds in the urban atmosphere of Singapore: influence of biomass burning

    NASA Astrophysics Data System (ADS)

    He, J.; Zielinska, B.; Balasubramanian, R.

    2010-04-01

    An intensive field study was conducted in the urban atmosphere of Singapore to investigate the composition of organic compounds in both gaseous and particulate phases during the period of August to early November 2006. 17 atmospheric samples were collected. These samples were subjected to accelerated solvent extraction with a mixture of dichloromethane and acetone and separated into functional group fractions for analyses by GC/MS. Over 180 organic compounds belonging to three major fractions (n-alkanes, polycyclic aromatic hydrocarbons (PAHs), and polar organic compounds (POCs)) were identified and quantified. The characteristics and abundance of the n-alkanes, PAHs, mono and dicarboxylic acids, methoxylated phenols and other POCs were determined. The composition of these organic compounds fluctuated temporally with most of them being relatively higher in October than those in other months of the sampling period. 3-D backward air mass trajectory analyses together with the carbon preference index (CPI), molecular diagnostic ratios and molecular markers were used to investigate the origin of organic species measured in this study. Based on these diagnostic tools, the increased abundance of atmospheric organic species during October could be attributed to the occurrence of regional smoke haze episodes due to biomass burning in Indonesia. Among the POCs investigated, phthalic acid and cis-pinonic acid showed a strong linear relationship with maximum daily ozone concentration, indicating secondary organic aerosols (SOA) to be an important contributor to ambient atmospheric organics over Singapore.

  18. Habitat traits and patterns of abundance of the purple sea urchin, Paracentrotus lividus (Lamarck, 1816), at multiple scales along the north Portuguese coast

    NASA Astrophysics Data System (ADS)

    Domínguez, Rula; Domínguez Godino, Jorge; Freitas, Cristiano; Machado, Inês; Bertocci, Iacopo

    2015-03-01

    Spatial and temporal patterns of abundance and distribution of sea urchins (Paracentrotus lividus) from intertidal rockpools of the north Portuguese coast were examined in relation to physical (surface, altitude, depth, topographic complexity and exposure) and biological (substrate cover by dominant organisms) habitat traits. The methodology was based on a multi-factorial design where the total number and the abundance of urchins in each of six size classes were sampled over a range of spatial scales, from 10s of cm to kms, and a temporal scale of five months. The results highlighted three main features of the studied system: (1) the largest proportion of variability of sea urchins occurred at the smallest scale examined; (2) urchins from different size classes showed different patterns of abundance in relation to habitat traits; (3) variables normally invoked as potential drivers of distribution of urchins at a range of scales, such as hydrodynamics and shore height, were relatively less important than other abiotic (i.e. pool area, pool mean depth calculated over five replicate measures and sand cover) and biological (i.e. space occupancy by the reef-forming polychaete Sabellaria alveolata and mussels vs. availability of bare rock) variables to provide a considerable contribution to the variability of sea urchins. Intertidal populations of sea urchins are abundant on many rocky shores, where they are socially and economically important as food resource and ecologically key as habitat modelers. This study provides new clues on relatively unstudied populations, with relevant implications for possible management decisions, including the implementation of protection schemes able to preserve the main recruitment, settlement and development areas of P. lividus.

  19. Organic compounds and trace elements in the Pocomoke River and its tributaries

    USGS Publications Warehouse

    Miller, Cherie V.; Foster, Gregory D.; Huff, Thomas B.; Garbarino, John R.

    1999-01-01

    In response to concern about recent blooms of the dinoflagellate, Pfiesteria piscicida, samples of sediment and water were collected from the lower Pocomoke River Basin and were screened for trace elements, pesticides, and other organic compounds. A large group of steroid and fatty acid methyl-ester compounds was detected in streamwater using gas chromatography/mass spectroscopy in scan mode. Some of these steroid compounds have been identified and further quantified in bed-sediment extracts. Spatial patterns of the concentrations of cholesterol suggest that these compounds are linked to the runoff of animal wastes into the river. Many of the organic compounds found in the Pocomoke River sediments have not yet been identified, but at least several are in the class of hormone compounds related to estradiols and have the potential to promote endocrine-disrupting effects in aquatic life. Particulate forms of arsenic and zinc are slightly elevated above normal levels for streams, but the sources for these elements are still undetermined. Several pesticides were found in low, parts-per-trillion concentrations, but were within the ranges commonly found in streams of this region.

  20. Quality or quantity: is nutrient transfer driven more by symbiont identity and productivity than by symbiont abundance?

    PubMed

    Freeman, Christopher J; Thacker, Robert W; Baker, David M; Fogel, Marilyn L

    2013-06-01

    By forming symbiotic interactions with microbes, many animals and plants gain access to the products of novel metabolic pathways. We investigated the transfer of symbiont-derived carbon and nitrogen to the sponges Aplysina cauliformis, Aplysina fulva, Chondrilla caribensis, Neopetrosia subtriangularis and Xestospongia bocatorensis, all of which host abundant microbial populations, and Niphates erecta, which hosts a sparse symbiont community. We incubated sponges in light and dark bottles containing seawater spiked with (13)C- and (15)N-enriched inorganic compounds and then measured (13)C and (15)N enrichment in the microbial (nutrient assimilation) and sponge (nutrient transfer) fractions. Surprisingly, although most sponges hosting abundant microbial communities were more enriched in (13)C than N. erecta, only N. subtriangularis was more enriched in (15)N than N. erecta. Although photosymbiont abundance varied substantially across species, (13)C and (15)N enrichment was not significantly correlated with photosymbiont abundance. Enrichment was significantly correlated with the ratio of gross productivity to respiration (P:R), which varied across host species and symbiont phylotype. Because irradiance impacts P:R ratios, we also incubated A. cauliformis in (13)C-enriched seawater under different irradiances to determine whether symbiont carbon fixation and transfer are dependent on irradiance. Carbon fixation and transfer to the sponge host occurred in all treatments, but was greatest at higher irradiances and was significantly correlated with P:R ratios. Taken together, these results demonstrate that nutrient transfer from microbial symbionts to host sponges is influenced more by host-symbiont identities and P:R ratios than by symbiont abundance.

  1. Prokaryotes in salt marsh sediments of Ria de Aveiro: Effects of halophyte vegetation on abundance and diversity

    NASA Astrophysics Data System (ADS)

    Oliveira, Vanessa; Santos, Ana L.; Aguiar, Claúdia; Santos, Luisa; Salvador, Ângelo C.; Gomes, Newton C. M.; Silva, Helena; Rocha, Sílvia M.; Almeida, Adelaide; Cunha, Ângela

    2012-09-01

    The aim of this study was to investigate the influence of monospecific colonization of sediment stands by Spartina maritima or Halimione portulacoides on benthic prokaryote assemblages in a salt marsh located in Ria de Aveiro (Portugal). The distribution of Bacteria, Archaea and sulfate-reducing bacteria (SRB) in sediments with monospecific plant stands and in unvegetated sediments was characterized by Fluorescence In Situ Hybridization (FISH). Total prokaryote abundance (0.4 × 109-1.7 × 109 cells gdw-1) was highest in sediments from the surface layer. The domain Bacteria comprised approximately 40% of total prokaryote communities with the highest percentages occurring in the surface layer. Archaeal cells corresponded to an average of 25% of total prokaryote population, with higher abundance in the vegetation banks, and displaying homogeneous vertical distribution. The relative abundance of SRB represented approximately 3% of total 4', 6-diamidino-2-phenylindole dihydrochloride (DAPI) stained cells at unvegetated sediment and H. portulacoides stand and 7% at S. maritima stand. Headspace solid-phase microextraction (HS-SPME) combined with Comprehensive Two-Dimensional Gas Chromatography-Time-of-Flight Mass Spectrometry (GC × GC-ToFMS) was used to analyse the volatile and semi-volatile fraction of root exudates. A total of 171 compounds were identified and Principal Component Analysis showed a clear separation between the chemical composition (volatile and semi-volatile organic compounds) of the exudates of the two plants. The patterns of vertical distribution and differences in the proportion of SRB and Archaea in the prokaryote communities developing in sediments colonized by Spartina maritima or Halimione portulacoides suggest the existence of plant-specific interactions between halophyte vegetation and estuarine sediment bacteria in Ria de Aveiro salt marshes, exerted via sediment lithology and root-derived exudates.

  2. A high-pressure van der Waals compound in solid nitrogen-helium mixtures

    NASA Technical Reports Server (NTRS)

    Vos, W. L.; Finger, L. W.; Hemley, R. J.; Hu, J. Z.; Mao, H. K.; Schouten, J. A.

    1992-01-01

    A detailed diamond anvil-cell study using synchrotron X-ray diffraction, Raman scattering, and optical microscopy has been conducted for the He-N system, with a view to the weakly-bound van der Waals molecule interactions that can be formed in the gas phase. High pressure is found to stabilize the formation of a stoichiometric, solid van der Waals compound of He(N2)11 composition which may exemplify a novel class of compounds found at high pressures in the interiors of the outer planets and their satellites.

  3. The MiMeS survey of magnetism in massive stars: CNO surface abundances of Galactic O stars

    NASA Astrophysics Data System (ADS)

    Martins, F.; Hervé, A.; Bouret, J.-C.; Marcolino, W.; Wade, G. A.; Neiner, C.; Alecian, E.; Grunhut, J.; Petit, V.

    2015-03-01

    Context. The evolution of massive stars is still partly unconstrained. Mass, metallicity, mass loss, and rotation are the main drivers of stellar evolution. Binarity and the magnetic field may also significantly affect the fate of massive stars. Aims: Our goal is to investigate the evolution of single O stars in the Galaxy. Methods: For that, we used a sample of 74 objects comprising all luminosity classes and spectral types from O4 to O9.7. We relied on optical spectroscopy obtained in the context of the MiMeS survey of massive stars. We performed spectral modelling with the code CMFGEN. We determined the surface properties of the sample stars, with special emphasis on abundances of carbon, nitrogen, and oxygen. Results: Most of our sample stars have initial masses in the range of 20 to 50 M⊙. We show that nitrogen is more enriched and carbon and oxygen are more depleted in supergiants than in dwarfs, with giants showing intermediate degrees of mixing. CNO abundances are observed in the range of values predicted by nucleosynthesis through the CNO cycle. More massive stars, within a given luminosity class, appear to be more chemically enriched than lower mass stars. We compare our results with predictions of three types of evolutionary models and show that for two sets of models, 80% of our sample can be explained by stellar evolution including rotation. The effect of magnetism on surface abundances is unconstrained. Conclusions: Our study indicates that in the 20-50 M⊙ mass range, the surface chemical abundances of most single O stars in the Galaxy are fairly well accounted for by stellar evolution of rotating stars. Based on observations obtained at 1) the Telescope Bernard Lyot (USR5026) operated by the Observatoire Midi-Pyrénées, Université de Toulouse (Paul Sabatier), Centre National de la Recherche Scientifique of France; 2) at the Canada-France-Hawaii Telescope (CFHT) which is operated by the National Research Council (NRC) of Canada, the Institut

  4. 3-(Methoxycarbonylmethylene)isobenzofuran-1-imines as a new class of potential herbicides.

    PubMed

    Araniti, Fabrizio; Mancuso, Raffaella; Ziccarelli, Ida; Sunseri, Francesco; Abenavoli, Maria Rosa; Gabriele, Bartolo

    2014-06-18

    A novel class of potential herbicides, the 3-(methoxycarbonylmethylene) isobenzofuran-1-imines, has been discovered. The herbicidal activity has been tested on two particular molecules, (E)-methyl 2-[3-(butylimino)isobenzofuran-1(3H)-ylidene]acetate (1) and (E)-methyl 2-phenyl-2-[3-(phenylimino)isobenzofuran-1(3H)-ylidene]acetate (2), prepared by palladium-catalyzed oxidative carbonylation of 2-alkynylbenzamides. Both compounds 1 and 2 showed a strong phytotoxic effect on both shoot and root systems of Arabidopsis thaliana. The effects observed on the shoot were similar for both molecules, but while compound 1 showed a stronger effect on root parameters (such as primary root length, root hair and density, showing lower ED50 values), compound 2 caused important malformations in root morphology. Our results indicate that these molecules are very promising synthetic herbicides.

  5. Biomedical Applications Of Aromatic Azo Compounds: From Chromophore To Pharmacophore.

    PubMed

    Ali, Yousaf; Hamid, Shafida Abd; Rashid, Umer

    2018-05-23

    Azo dyes are widely used in textile, fiber, cosmetic, leather, paint and printing industries. Besides their characteristic coloring function, biological properties of certain azo compounds including antibacterial, antiviral, antifungal and cytotoxic are also reported. Azo compounds can be used as drug carriers, either by acting as a 'cargo' that entrap therapeutic agents or by prodrug approach. The drug is released by internal or external stimuli in the region of interest, as observed in colon-targeted drug delivery. Besides drug-like and drug carrier properties, a number of azo dyes are used in cellular staining to visualize cellular components and metabolic processes. However, the biological significance of azo compounds, especially in cancer chemotherapy, is still in its infancy. This may be linked to early findings that declared azo compounds as one of the possible causes of cancer and mutagenesis. Currently, researchers are screening the aromatic azo compounds for their potential biomedical use, including cancer diagnosis and therapy. The medical applications of azo compounds, particularly in cancer research are discussed. The biomedical significance of cis-trans interchange and negative implications of azo compounds are also highlighted in brief. This review may provide the researchers a platform in the quest of more potent therapeutic agents of this class. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  6. Use of alligator hole abundance and occupancy rate as indicators for restoration of a human-altered wetland

    USGS Publications Warehouse

    Fujisaki, Ikuko; Mazzotti, Frank J.; Hart, Kristen M.; Rice, Kenneth G.; Ogurcak, Danielle; Rochford, Michael; Jeffery, Brian M.; Brandt, Laura A.; Cherkiss, Michael S.

    2012-01-01

    Use of indicator species as a measure of ecosystem conditions is an established science application in environmental management. Because of its role in shaping wetland systems, the American alligator (Alligator mississippiensis) is one of the ecological indicators for wetland restoration in south Florida, USA. We conducted landscape-level aerial surveys of alligator holes in two different habitats in a wetland where anthropogenic modification of surface hydrology has altered the natural system. Alligator holes were scarcer in an area where modified hydrology caused draining and frequent dry-downs compared to another area that maintains a functional wetland system. Lower abundance of alligator holes indicates lack of alligator activities, lower overall species diversity, and lack of dry-season aquatic refugia for other organisms. The occupancy rate of alligator holes was lower than the current restoration target for the Everglades, and was variable by size class with large size-class alligators predominantly occupying alligator holes. This may indicate unequal size-class distribution, different habitat selection by size classes, or possibly a lack of recruitment. Our study provides pre-restoration baseline information about one indicator species for the Everglades. Success of the restoration can be assessed via effective synthesis of information derived by collective research efforts on the entire suite of selected ecological indicators.

  7. Keto-acids in Carbonaceous Meteorites

    NASA Technical Reports Server (NTRS)

    Cooper, G.; Chang, P. M.; Dugas, A.; Byrd, A.; Chang, P. M.; Washington, N.

    2005-01-01

    The Murchison and Murray meteorites are the best-characterized carbonaceous meteorites with respect to organic chemistry and are generally used as references for organic compounds in extraterrestrial material. Among the classes of organic compounds found in these meteorites are amino acids, carboxylic acids, hydroxy acids, purines, and pyrimidines. Such compounds, important in contemporary biochemistry, are thought to have been delivered to the early Earth in asteroids and comets and may have played a role in early life and/or the origin of life. Absent among (today's) critically important biological compounds reported in carbonaceous meteorites are keto acids, i.e., pyruvic acid, acetoacetic acid, and higher homologs. These compounds are key intermediates in such critical processes as glycolysis and the citric acid cycle. In this study several individual meteoritic keto acids were identified by gas chromatography-mass spectrometry (GC-MS) (see figure below). All compounds were identified as their trimethylsilyl (TMS), isopropyl ester (ISP), and tert-butyldimethylsilyl (tBDMS) derivatives. In general, the compounds follow the abiotic synthesis pattern of other known meteorite classes of organic compounds [1,2]: a general decrease in abundance with increasing carbon number within a class of compounds and many, if not all, possible isomers present at a given carbon number. The majority of the shown compounds was positively identified by comparison of their mass spectra to commercially available standards or synthesized standards.

  8. Comparison of the decomposition VOC profile during winter and summer in a moist, mid-latitude (Cfb) climate.

    PubMed

    Forbes, Shari L; Perrault, Katelynn A; Stefanuto, Pierre-Hugues; Nizio, Katie D; Focant, Jean-François

    2014-01-01

    The investigation of volatile organic compounds (VOCs) associated with decomposition is an emerging field in forensic taphonomy due to their importance in locating human remains using biological detectors such as insects and canines. A consistent decomposition VOC profile has not yet been elucidated due to the intrinsic impact of the environment on the decomposition process in different climatic zones. The study of decomposition VOCs has typically occurred during the warmer months to enable chemical profiling of all decomposition stages. The present study investigated the decomposition VOC profile in air during both warmer and cooler months in a moist, mid-latitude (Cfb) climate as decomposition occurs year-round in this environment. Pig carcasses (Sus scrofa domesticus L.) were placed on a soil surface to decompose naturally and their VOC profile was monitored during the winter and summer months. Corresponding control sites were also monitored to determine the natural VOC profile of the surrounding soil and vegetation. VOC samples were collected onto sorbent tubes and analyzed using comprehensive two-dimensional gas chromatography--time-of-flight mass spectrometry (GC × GC-TOFMS). The summer months were characterized by higher temperatures and solar radiation, greater rainfall accumulation, and comparable humidity when compared to the winter months. The rate of decomposition was faster and the number and abundance of VOCs was proportionally higher in summer. However, a similar trend was observed in winter and summer demonstrating a rapid increase in VOC abundance during active decay with a second increase in abundance occurring later in the decomposition process. Sulfur-containing compounds, alcohols and ketones represented the most abundant classes of compounds in both seasons, although almost all 10 compound classes identified contributed to discriminating the stages of decomposition throughout both seasons. The advantages of GC × GC-TOFMS were demonstrated

  9. Glucosidase inhibitory activity and antioxidant activity of flavonoid compound and triterpenoid compound from Agrimonia Pilosa Ledeb

    PubMed Central

    2014-01-01

    Background In Chinese traditional medicine, Agrimonia pilosa Ledeb (APL) exhibits great effect on treatment of type 2 diabetes mellitus (T2DM), however its mechanism is still unknown. Considering that T2DM are correlated with postprandial hyperglycemia and oxidative stress, we investigated the α-glucosidase inhibitory activity and the antioxidant activity of flavonoid compound (FC) and triterpenoid compound (TC) from APL. Methods Entire plants of APL were extracted using 95% ethanol and 50% ethanol successively. The resulting extracts were partitioned and isolated by applying liquid chromatography using silica gel column and Sephadex LH 20 column to give FC and TC. The content of total flavonoids in FC and the content of total triterpenoids in TC were determined by using UV spectrophotometry. HPLC analysis was used to identify and quantify the monomeric compound in FC and TC. The α-glucosidase inhibitory activities were determined using the chromogenic method with p-nitrophenyl-α-D-glucopyranoside as substrate. Antioxidant activities were assessed through three kinds of radical scavenging assays (DPPH radical, ABTS radical and hydroxyl radical) & β-carotene-linoleic acid assay. Results The results indicate FC is abundant of quercitrin, and hyperoside, and TC is abundant of 1β, 2β, 3β, 19α-tetrahydroxy-12-en-28-oic acid (265.2 mg/g) and corosolic acid (100.9 mg/g). The FC & the TC have strong α-glucosidase inhibitory activities with IC50 of 8.72 μg/mL and 3.67 μg/mL, respectively. We find that FC show competitive inhibition against α-glucosidase, while the TC exhibits noncompetitive inhibition. Furthermore, The FC exhibits significant radical scavenging activity with the EC50 values of 7.73 μg/mL, 3.64 μg/mL and 5.90 μg/mL on DPPH radical, hydroxyl radical and ABTS radical, respectively. The FC also shows moderate anti-lipid peroxidation activity with the IC50 values of 41.77 μg/mL on inhibiting β-carotene bleaching. Conclusion These results

  10. Glucosidase inhibitory activity and antioxidant activity of flavonoid compound and triterpenoid compound from Agrimonia Pilosa Ledeb.

    PubMed

    Liu, Xi; Zhu, Liancai; Tan, Jun; Zhou, Xuemei; Xiao, Ling; Yang, Xian; Wang, Bochu

    2014-01-10

    In Chinese traditional medicine, Agrimonia pilosa Ledeb (APL) exhibits great effect on treatment of type 2 diabetes mellitus (T2DM), however its mechanism is still unknown. Considering that T2DM are correlated with postprandial hyperglycemia and oxidative stress, we investigated the α-glucosidase inhibitory activity and the antioxidant activity of flavonoid compound (FC) and triterpenoid compound (TC) from APL. Entire plants of APL were extracted using 95% ethanol and 50% ethanol successively. The resulting extracts were partitioned and isolated by applying liquid chromatography using silica gel column and Sephadex LH 20 column to give FC and TC. The content of total flavonoids in FC and the content of total triterpenoids in TC were determined by using UV spectrophotometry. HPLC analysis was used to identify and quantify the monomeric compound in FC and TC. The α-glucosidase inhibitory activities were determined using the chromogenic method with p-nitrophenyl-α-D-glucopyranoside as substrate. Antioxidant activities were assessed through three kinds of radical scavenging assays (DPPH radical, ABTS radical and hydroxyl radical) & β-carotene-linoleic acid assay. The results indicate FC is abundant of quercitrin, and hyperoside, and TC is abundant of 1β, 2β, 3β, 19α-tetrahydroxy-12-en-28-oic acid (265.2 mg/g) and corosolic acid (100.9 mg/g). The FC & the TC have strong α-glucosidase inhibitory activities with IC50 of 8.72 μg/mL and 3.67 μg/mL, respectively. We find that FC show competitive inhibition against α-glucosidase, while the TC exhibits noncompetitive inhibition. Furthermore, The FC exhibits significant radical scavenging activity with the EC50 values of 7.73 μg/mL, 3.64 μg/mL and 5.90 μg/mL on DPPH radical, hydroxyl radical and ABTS radical, respectively. The FC also shows moderate anti-lipid peroxidation activity with the IC50 values of 41.77 μg/mL on inhibiting β-carotene bleaching. These results imply that the FC and the TC could be

  11. Selective CB2 receptor agonists. Part 2: Structure-activity relationship studies and optimization of proline-based compounds.

    PubMed

    Riether, Doris; Zindell, Renee; Wu, Lifen; Betageri, Raj; Jenkins, James E; Khor, Someina; Berry, Angela K; Hickey, Eugene R; Ermann, Monika; Albrecht, Claudia; Ceci, Angelo; Gemkow, Mark J; Nagaraja, Nelamangala V; Romig, Helmut; Sauer, Achim; Thomson, David S

    2015-02-01

    Through a ligand-based pharmacophore model (S)-proline based compounds were identified as potent cannabinoid receptor 2 (CB2) agonists with high selectivity over the cannabinoid receptor 1 (CB1). Structure-activity relationship investigations for this compound class lead to oxo-proline compounds 21 and 22 which combine an impressive CB1 selectivity profile with good pharmacokinetic properties. In a streptozotocin induced diabetic neuropathy model, 22 demonstrated a dose-dependent reversal of mechanical hyperalgesia. Copyright © 2014 Elsevier Ltd. All rights reserved.

  12. TEA: A Code Calculating Thermochemical Equilibrium Abundances

    NASA Astrophysics Data System (ADS)

    Blecic, Jasmina; Harrington, Joseph; Bowman, M. Oliver

    2016-07-01

    We present an open-source Thermochemical Equilibrium Abundances (TEA) code that calculates the abundances of gaseous molecular species. The code is based on the methodology of White et al. and Eriksson. It applies Gibbs free-energy minimization using an iterative, Lagrangian optimization scheme. Given elemental abundances, TEA calculates molecular abundances for a particular temperature and pressure or a list of temperature-pressure pairs. We tested the code against the method of Burrows & Sharp, the free thermochemical equilibrium code Chemical Equilibrium with Applications (CEA), and the example given by Burrows & Sharp. Using their thermodynamic data, TEA reproduces their final abundances, but with higher precision. We also applied the TEA abundance calculations to models of several hot-Jupiter exoplanets, producing expected results. TEA is written in Python in a modular format. There is a start guide, a user manual, and a code document in addition to this theory paper. TEA is available under a reproducible-research, open-source license via https://github.com/dzesmin/TEA.

  13. Effects of copper and tributyltin on stress protein abundance in the rotifer Brachionus plicatilis.

    PubMed

    Cochrane, B J; Irby, R B; Snell, T W

    1991-01-01

    1. Exposure of the rotifer Brachionus plicatilis to elevated temperature resulted in the synthesis of a number of proteins, including a prominent one of 58,000 Da (SP58). 2. This protein is immunologically crossreactive with the 65,000 Da heat shock protein of the moth Heliothis virescens, which is a member of a highly conserved family of mitochondrial proteins. 3. Exposure of rotifers to sublethal doses of CuSO4 leads to a 4-5-fold increase in abundance of SP58, with maximum increase occurring at a dose that is approximately 5% of the LC50 for that compound. 4. A similar response was seen with tributyl tin (TBT). Kinetics of induction were sigmoidal, with induction occurring in the range of 20-30 micrograms/l. 5. No response was observed when rotifers were exposed to aluminum chloride, mercury chloride, pentachlorophenol, sodium arsenite, sodium azide, sodium dodecyl sulfate, or zinc chloride. 6. These results indicate that changes in stress protein abundance may prove useful as a biomarker of exposure to particular toxicants.

  14. A metagenomic survey of viral abundance and diversity in mosquitoes from Hubei province.

    PubMed

    Shi, Chenyan; Liu, Yi; Hu, Xiaomin; Xiong, Jinfeng; Zhang, Bo; Yuan, Zhiming

    2015-01-01

    Mosquitoes as one of the most common but important vectors have the potential to transmit or acquire a lot of viruses through biting, however viral flora in mosquitoes and its impact on mosquito-borne disease transmission has not been well investigated and evaluated. In this study, the metagenomic techniquehas been successfully employed in analyzing the abundance and diversity of viral community in three mosquito samples from Hubei, China. Among 92,304 reads produced through a run with 454 GS FLX system, 39% have high similarities with viral sequences belonging to identified bacterial, fungal, animal, plant and insect viruses, and 0.02% were classed into unidentified viral sequences, demonstrating high abundance and diversity of viruses in mosquitoes. Furthermore, two novel viruses in subfamily Densovirinae and family Dicistroviridae were identified, and six torque tenosus virus1 in family Anelloviridae, three porcine parvoviruses in subfamily Parvovirinae and a Culex tritaeniorhynchus rhabdovirus in Family Rhabdoviridae were preliminarily characterized. The viral metagenomic analysis offered us a deep insight into the viral population of mosquito which played an important role in viral initiative or passive transmission and evolution during the process.

  15. A Metagenomic Survey of Viral Abundance and Diversity in Mosquitoes from Hubei Province

    PubMed Central

    Shi, Chenyan; Liu, Yi; Hu, Xiaomin; Xiong, Jinfeng; Zhang, Bo; Yuan, Zhiming

    2015-01-01

    Mosquitoes as one of the most common but important vectors have the potential to transmit or acquire a lot of viruses through biting, however viral flora in mosquitoes and its impact on mosquito-borne disease transmission has not been well investigated and evaluated. In this study, the metagenomic techniquehas been successfully employed in analyzing the abundance and diversity of viral community in three mosquito samples from Hubei, China. Among 92,304 reads produced through a run with 454 GS FLX system, 39% have high similarities with viral sequences belonging to identified bacterial, fungal, animal, plant and insect viruses, and 0.02% were classed into unidentified viral sequences, demonstrating high abundance and diversity of viruses in mosquitoes. Furthermore, two novel viruses in subfamily Densovirinae and family Dicistroviridae were identified, and six torque tenosus virus1 in family Anelloviridae, three porcine parvoviruses in subfamily Parvovirinae and a Culex tritaeniorhynchus rhabdovirus in Family Rhabdoviridae were preliminarily characterized. The viral metagenomic analysis offered us a deep insight into the viral population of mosquito which played an important role in viral initiative or passive transmission and evolution during the process. PMID:26030271

  16. Galactic interstellar abundance surveys with IUE. III - Silicon, manganese, iron, sulfur, and zinc

    NASA Technical Reports Server (NTRS)

    Van Steenberg, Michael E.; Shull, J. Michael

    1988-01-01

    This paper continues a survey of intestellar densities, abundances, and cloud structure in the Galaxy using the IUE satellite. A statistical data set of 223 O3-B2.5 stars is constructed, including 53 stars in the Galactic halo. It is found that S II lines in B stars, of luminosity classes IV and V, have possible contamination from stellar S II, particular for stars with v sin i less than 200 km/s. The mean logarithmic depletions are -1.00, -1.19. -0.63, and -0.23 (Si, Mn,Fe,S, Zn). Depletions of Si, Mn, and Fe correlate with the mean hydrogen density n-bar along the line of sight, with a turnover for n-bar greater than 1/cm. Sulfur depletions correlate with n-bar along the line of sight. The slight Zn depletion correlation also appears to be statistically insignificant. No correlation of depletion is found with the physical density derived from H2 rotational states in 21 lines of sight. Depletion variations in the disk are consistent with a Galactic abundance gradient or with enhanced mean depletions in the anticenter region.

  17. La literatura infantil en espanol en la clase bilingue (Children's Literature in Spanish in the Bilingual Class).

    ERIC Educational Resources Information Center

    Centurion, Henry

    Techniques for using children's rhymes, games, tongue twisters, and fables in Spanish to teach bilingual education classes are described. It is argued that these abundant materials serve as natural sources for authentic Spanish from a variety of Hispanic cultures. With the appeal of rhythm, rhyme, and game-like feeling, they can be used to teach…

  18. Characterizing the relationship between Asian tiger mosquito abundance and habitat in urban New Jersey

    NASA Astrophysics Data System (ADS)

    Ferwerda, Carolin

    2009-12-01

    Since its introduction to North America in 1987, the Asian tiger mosquito (Aedes albopictus) has spread rapidly. Due to its unique ecology and preference for container breeding sites, Ae. albopictus commonly inhabits urban/suburban areas and is often in close contact with humans. An aggressive pest, this mosquito species is a vector of multiple arboviruses. In order for mosquito control efforts to remain effective, control of this important vector must be guided by spatially explicit habitat models that aid in predicting mosquito outbreaks. Using linear regression, I determined the relationship between adult Ae. albopictus abundance and climate, census, and land use factors in nine urban/suburban study sites in central New Jersey. Systematically collected adult counts (females and males) from July to October 2008, served as estimates of abundance. Fine-scale land use/land cover data were obtained from object-oriented classifications of 2007 CIR orthophotos in Definiens eCognition. Mosquito abundance data were tested for spatial autocorrelation via Moran's I, semivariograms, and hotspot analysis in order to reveal consistent patterns in abundance. Spatial pattern analysis produced little evidence of consistent spatial autocorrelation, though several sites exhibited recurring hotspots, especially in areas near residential housing and vegetation. Stepwise multiple regression was able to explain 20-25 percent of variation in Ae. albopictus abundance at the 'backyard' or cell level and 72-78 percent of variation in abundance at the 'neighborhood' or study site level. Meteorological variables (temperature on the trap date and precipitation), census variables (vacant housing units and population density), and more detailed land use/land cover classes (deciduous woody vegetation, rights-of-way and vacant lots) were frequently selected in all eight models, though many other independent variables were included in the individual models. The results of the spatial statistics

  19. Very volatile organic compounds: an understudied class of indoor air pollutants.

    PubMed

    Salthammer, T

    2016-02-01

    Very volatile organic compounds (VVOCs), as categorized by the WHO, are an important subgroup of indoor pollutants and cover a wide spectrum of chemical substances. Some VVOCs are components of products commonly used indoors, some result from chemical reactions and some are reactive precursors of secondary products. Nevertheless, there is still no clear and internationally accepted definition of VVOCs. Current approaches are based on the boiling point, and the saturation vapor pressure or refer to analytical procedures. A significant problem is that many airborne VVOCs cannot be routinely analyzed by the usually applied technique of sampling on Tenax TA® followed by thermal desorption GC/MS or by DNPH-sampling/HPLC/UV. Some VVOCs are therefore often neglected in indoor-related studies. However, VVOCs are of high significance for indoor air quality assessment and there is need for their broader consideration in measurement campaigns and material emission testing. © 2014 The Authors. Indoor Air published by John Wiley & Sons Ltd.

  20. Solar abundances as derived from solar energetic particles

    NASA Technical Reports Server (NTRS)

    Stone, E. C.

    1989-01-01

    Recent studies have shown that there are well defined average abundances of heavy (Z above 2) solar energetic particles (SEPs), with variations in the acceleration and propagation producing a systematic flare-to-flare fractionation that depends on the charge per unit mass of the ion. Correcting the average SEP abundances for this fractionation yields SEP-derived coronal abundances for 20 elements. High-resolution SEP studies have also provided isotopic abundances for five elements. SEP-derived abundances indicate that elements with high first ionization potentials (greater than 10 eV) are depleted in the corona relative to the photosphere and provide new information on the solar abundance of C and Ne-22.

  1. SEURAT-1 liver gold reference compounds: a mechanism-based review.

    PubMed

    Jennings, Paul; Schwarz, Michael; Landesmann, Brigitte; Maggioni, Silvia; Goumenou, Marina; Bower, David; Leonard, Martin O; Wiseman, Jeffrey S

    2014-12-01

    There is an urgent need for the development of alternative methods to replace animal testing for the prediction of repeat dose chemical toxicity. To address this need, the European Commission and Cosmetics Europe have jointly funded a research program for 'Safety Evaluation Ultimately Replacing Animal Testing.' The goal of this program was the development of in vitro cellular systems and associated computational capabilities for the prediction of hepatic, cardiac, renal, neuronal, muscle, and skin toxicities. An essential component of this effort is the choice of appropriate reference compounds that can be used in the development and validation of assays. In this review, we focus on the selection of reference compounds for liver pathologies in the broad categories of cytotoxicity and lipid disorders. Mitochondrial impairment, oxidative stress, and apoptosis are considered under the category of cytotoxicity, while steatosis, cholestasis, and phospholipidosis are considered under the category of lipid dysregulation. We focused on four compound classes capable of initiating such events, i.e., chemically reactive compounds, compounds with specific cellular targets, compounds that modulate lipid regulatory networks, and compounds that disrupt the plasma membrane. We describe the molecular mechanisms of these compounds and the cellular response networks which they elicit. This information will be helpful to both improve our understanding of mode of action and help in the selection of appropriate mechanistic biomarkers, allowing us to progress the development of animal-free models with improved predictivity to the human situation.

  2. Chemical composition and seasonal variations in the amount of secondary compounds in Gentiana lutea leaves and flowers.

    PubMed

    Menković, N; Savikin-Fodulović, K; Savin, K

    2000-03-01

    The chemical investigation of MeOH extracts of Gentiana lutea leaves and flowers showed that xanthones were one of the dominant class of compounds. Secoiridoids and flavonoids were also recorded. The amount of secondary metabolites varied depending on development stage. In the phase of flowering, leaves are rich with compounds possessing C-glycoside structures while O-glycoside structures accumulate mainly before flowering.

  3. Clustering in the stellar abundance space

    NASA Astrophysics Data System (ADS)

    Boesso, R.; Rocha-Pinto, H. J.

    2018-03-01

    We have studied the chemical enrichment history of the interstellar medium through an analysis of the n-dimensional stellar abundance space. This work is a non-parametric analysis of the stellar chemical abundance space. The main goal is to study the stars from their organization within this abundance space. Within this space, we seek to find clusters (in a statistical sense), that is, stars likely to share similar chemo-evolutionary history, using two methods: the hierarchical clustering and the principal component analysis. We analysed some selected abundance surveys available in the literature. For each sample, we labelled the group of stars according to its average abundance curve. In all samples, we identify the existence of a main enrichment pattern of the stars, which we call chemical enrichment flow. This flow is set by the structured and well-defined mean rate at which the abundances of the interstellar medium increase, resulting from the mixture of the material ejected from the stars and stellar mass-loss and interstellar medium gas. One of the main results of our analysis is the identification of subgroups of stars with peculiar chemistry. These stars are situated in regions outside of the enrichment flow in the abundance space. These peculiar stars show a mismatch in the enrichment rate of a few elements, such as Mg, Si, Sc and V, when compared to the mean enrichment rate of the other elements of the same stars. We believe that the existence of these groups of stars with peculiar chemistry may be related to the accretion of planetary material on to stellar surfaces or may be due to production of the same chemical element by different nucleosynthetic sites.

  4. Multiple plant-wax compounds record differential sources and ecosystem structure in large river catchments

    NASA Astrophysics Data System (ADS)

    Hemingway, Jordon D.; Schefuß, Enno; Dinga, Bienvenu Jean; Pryer, Helena; Galy, Valier V.

    2016-07-01

    The concentrations, distributions, and stable carbon isotopes (δ13C) of plant waxes carried by fluvial suspended sediments contain valuable information about terrestrial ecosystem characteristics. To properly interpret past changes recorded in sedimentary archives it is crucial to understand the sources and variability of exported plant waxes in modern systems on seasonal to inter-annual timescales. To determine such variability, we present concentrations and δ13C compositions of three compound classes (n-alkanes, n-alcohols, n-alkanoic acids) in a 34-month time series of suspended sediments from the outflow of the Congo River. We show that exported plant-dominated n-alkanes (C25-C35) represent a mixture of C3 and C4 end members, each with distinct molecular distributions, as evidenced by an 8.1 ± 0.7‰ (±1σ standard deviation) spread in δ13C values across chain-lengths, and weak correlations between individual homologue concentrations (r = 0.52-0.94). In contrast, plant-dominated n-alcohols (C26-C36) and n-alkanoic acids (C26-C36) exhibit stronger positive correlations (r = 0.70-0.99) between homologue concentrations and depleted δ13C values (individual homologues average ⩽-31.3‰ and -30.8‰, respectively), with lower δ13C variability across chain-lengths (2.6 ± 0.6‰ and 2.0 ± 1.1‰, respectively). All individual plant-wax lipids show little temporal δ13C variability throughout the time-series (1σ ⩽ 0.9‰), indicating that their stable carbon isotopes are not a sensitive tracer for temporal changes in plant-wax source in the Congo basin on seasonal to inter-annual timescales. Carbon-normalized concentrations and relative abundances of n-alcohols (19-58% of total plant-wax lipids) and n-alkanoic acids (26-76%) respond rapidly to seasonal changes in runoff, indicating that they are mostly derived from a recently entrained local source. In contrast, a lack of correlation with discharge and low, stable relative abundances (5-16%) indicate that

  5. Comparative evaluation of maceration and ultrasonic-assisted extraction of phenolic compounds from fresh olives.

    PubMed

    Deng, Junlin; Xu, Zhou; Xiang, Chunrong; Liu, Jing; Zhou, Lijun; Li, Tian; Yang, Zeshen; Ding, Chunbang

    2017-07-01

    Ultrasonic-assisted extraction (UAE) and maceration extraction (ME) were optimized using response surface methodology (RSM) for total phenolic compounds (TPC) from fresh olives. The main phenolic compounds and antioxidant activity of TPC were also investigated. The optimized result for UAE was 22mL/g of liquid-solid ratio, 47°C of extraction temperature and 30min of extraction time, 7.01mg/g of yielding, and for ME was 24mL/g of liquid-solid ratio, 50°C of extraction temperature and 4.7h of extraction time, 5.18mg/g of yielding. The HPLC analysis revealed that the extracts by UAE and ME possessed 14 main phenolic compounds, and UAE exhibited more amounts of all phenols than ME. The most abundant phenolic compounds in olive extracts were hydroxytyrosol, oleuropein and rutin. Both extracts showed excellent antioxidant activity in a dose-dependent manner. Taken together, UAE could effectively increase the yield of phenolic compounds from olives. In addition these phenolic compounds could be used as a potential source of natural antioxidants. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Volatile compound profile of sous-vide cooked lamb loins at different temperature-time combinations.

    PubMed

    Roldán, Mar; Ruiz, Jorge; Del Pulgar, José Sánchez; Pérez-Palacios, Trinidad; Antequera, Teresa

    2015-02-01

    Lamb loins were subjected to sous-vide cooking at different combinations of temperature (60 and 80°C) and time (6 and 24h) to assess the effect on the volatile compound profile. Major chemical families in cooked samples were aliphatic hydrocarbons and aldehydes. The volatile compound profile in sous-vide cooked lamb loin was affected by the cooking temperature and time. Volatile compounds arising from lipid oxidation presented a high abundance in samples cooked at low or moderate cooking conditions (60°C for 6 and 24h, 80°C for 6h), while a more intense time and temperature combination (80°C for 24h) resulted on a higher concentration of volatile compounds arising from Strecker degradations of amino acids, as 2-methylpropanal and 3-methylbutanal. Therefore, sous-vide cooking at moderately high temperatures for long times would result in the formation of a stronger meaty flavor and roast notes in lamb meat. Copyright © 2014 Elsevier Ltd. All rights reserved.

  7. Biological and therapeutic effects of ortho-silicic acid and some ortho-silicic acid-releasing compounds: New perspectives for therapy.

    PubMed

    Jurkić, Lela Munjas; Cepanec, Ivica; Pavelić, Sandra Kraljević; Pavelić, Krešimir

    2013-01-08

    Silicon (Si) is the most abundant element present in the Earth's crust besides oxygen. However, the exact biological roles of silicon remain unknown. Moreover, the ortho-silicic acid (H4SiO4), as a major form of bioavailable silicon for both humans and animals, has not been given adequate attention so far. Silicon has already been associated with bone mineralization, collagen synthesis, skin, hair and nails health atherosclerosis, Alzheimer disease, immune system enhancement, and with some other disorders or pharmacological effects. Beside the ortho-silicic acid and its stabilized formulations such as choline chloride-stabilized ortho-silicic acid and sodium or potassium silicates (e.g. M2SiO3; M= Na,K), the most important sources that release ortho-silicic acid as a bioavailable form of silicon are: colloidal silicic acid (hydrated silica gel), silica gel (amorphous silicon dioxide), and zeolites. Although all these compounds are characterized by substantial water insolubility, they release small, but significant, equilibrium concentration of ortho-silicic acid (H4SiO4) in contact with water and physiological fluids. Even though certain pharmacological effects of these compounds might be attributed to specific structural characteristics that result in profound adsorption and absorption properties, they all exhibit similar pharmacological profiles readily comparable to ortho-silicic acid effects. The most unusual ortho-silicic acid-releasing agents are certain types of zeolites, a class of aluminosilicates with well described ion(cation)-exchange properties. Numerous biological activities of some types of zeolites documented so far might probably be attributable to the ortho-silicic acid-releasing property. In this review, we therefore discuss biological and potential therapeutic effects of ortho-silicic acid and ortho-silicic acid -releasing silicon compounds as its major natural sources.

  8. Abundance and functional diversity of riboswitches in microbial communities

    PubMed Central

    Kazanov, Marat D; Vitreschak, Alexey G; Gelfand, Mikhail S

    2007-01-01

    Background Several recently completed large-scale enviromental sequencing projects produced a large amount of genetic information about microbial communities ('metagenomes') which is not biased towards cultured organisms. It is a good source for estimation of the abundance of genes and regulatory structures in both known and unknown members of microbial communities. In this study we consider the distribution of RNA regulatory structures, riboswitches, in the Sargasso Sea, Minnesota Soil and Whale Falls metagenomes. Results Over three hundred riboswitches were found in about 2 Gbp metagenome DNA sequences. The abundabce of riboswitches in metagenomes was highest for the TPP, B12 and GCVT riboswitches; the S-box, RFN, YKKC/YXKD, YYBP/YKOY regulatory elements showed lower but significant abundance, while the LYS, G-box, GLMS and YKOK riboswitches were rare. Regions downstream of identified riboswitches were scanned for open reading frames. Comparative analysis of identified ORFs revealed new riboswitch-regulated functions for several classes of riboswitches. In particular, we have observed phosphoserine aminotransferase serC (COG1932) and malate synthase glcB (COG2225) to be regulated by the glycine (GCVT) riboswitch; fatty acid desaturase ole1 (COG1398), by the cobalamin (B12) riboswitch; 5-methylthioribose-1-phosphate isomerase ykrS (COG0182), by the SAM-riboswitch. We also identified conserved riboswitches upstream of genes of unknown function: thiamine (TPP), cobalamine (B12), and glycine (GCVT, upstream of genes from COG4198). Conclusion This study demonstrates applicability of bioinformatics to the analysis of RNA regulatory structures in metagenomes. PMID:17908319

  9. New class of 19F pH indicators: fluoroanilines.

    PubMed Central

    Deutsch, C J; Taylor, J S

    1989-01-01

    The pH dependence of the 19F chemical shift has been characterized for a number of fluorine-substituted aniline derivatives. These compounds constitute a new class of 19F nuclear magnetic resonance (NMR) pH indicators, characterized by single 19F resonance lines with sensitivities ranging from 2 to 7 ppm/pH unit near the aniline pKa; total shifts between conjugate acid and base of 5-15 ppm; and pKas ranging from 1 to 7. One compound, N,N-(methyl-2-carboxyisopropyl)-4-fluoroaniline, has a pKa of 6.8 and a sensitivity of 5 ppm/pH unit. This compound displays significant broadening of its 19F resonance near the aniline pKa (6.8), due to a decreased rate of exchange between conjugate acid and base species. Our results are consistent with slow dissociation of an intramolecular hydrogen bond in the zwitterionic species that limits the exchange rate between protonated and unprotonated forms for N,N-(methyl-2-carboxyisopropyl)-4-fluoroaniline. PMID:2720073

  10. Determination of some volatile compounds in alcoholic beverage by headspace solid-phase microextraction gas chromatography - mass spectrometry

    NASA Astrophysics Data System (ADS)

    Schmutzer, G.; Avram, V.; Feher, I.; David, L.; Moldovan, Z.

    2012-02-01

    The volatile composition of alcoholic beverage was studied by headspace solid-phase microextraction (HSSPME) method and gas chromatography - mass spectrometry (GC-MS). Some volatile compounds, such as alcohols, esters, terpenes and other are mainly responsible for the flavor of fortified wines and their amounts specify the quality of the alcoholic beverages. From this perspective it is interesting to develop a rapid, selective and sensitive analytical method suitable for simultaneous quantification of the main molecules being responsible for the organoleptic characteristic of alcoholic beverages. Vermouth fortified drink was analyzed in order to characterize the volatile profile. Using the HS-SPME/GC-MS a number of twenty-six volatile compounds from a commercial market alcoholic beverage were identified. The most abundant compounds were m-thymol, o-thymol and eugenol, alongside of the ethyl ester compounds.

  11. Bis-indolic compounds as potential new therapeutic alternatives for tularaemia

    PubMed Central

    Caspar, Yvan; Sutera, Vivien; Boisset, Sandrine; Denis, Jean-Noël; Maurin, Max

    2014-01-01

    Francisella tularensis is the etiological agent of tularaemia and a CDC class A biological threat agent. Few antibiotic classes are currently useful in treating tularaemia, including the aminoglycosides gentamicin and streptomycin, fluoroquinolones, and tetracyclines. However, treatment failures and relapses remain frequent and F. tularensis strains resistant to antibiotics have been easily selected in vitro. In this study, we evaluated the activity of new synthetic bis-indole derivatives against this pathogen. Minimum inhibitory concentrations (MICs) of four compounds (dcm01 to dcm04) were determined for the reference strains F. tularensis subsp. holarctica LVS NCTC10857, F. tularensis subsp. novicida CIP56.12 and F. philomiragia ATCC25015, and for 41 clinical strains of F. tularensis subsp. holarctica isolated in France. Minimal bactericidal concentrations (MBCs) were determined for the dcm02 and dcm04 compounds for the LVS and two clinical strains. Killing curves were also determined for the same three strains exposed to dcm04. All tested bis-indole compounds were bacteriostatic against F. tularensis subsp. holarctica strains, with a MIC90 of 8 μg/mL for dcm01, dcm02, and dcm03, and 2 μg/mL for dcm04. Only one strain was resistant to both dcm01 and dcm03, with MICs > 32 μg/mL. In contrast, F. tularensis subsp. novicida was resistant to all derivatives and F. philomiragia was only susceptible to dcm02 and dcm04, with MICs of 16 and 4 μg/mL, respectively. MBC and killing curve experiments revealed significant bactericidal activity (i.e., 3-log reduction of the bacterial inoculum) of the dcm02 and dcm04 compounds only for the LVS strain. In conclusion, we have identified novel synthetic bis-indole compounds that are active against F. tularensis subsp. holarctica. They may be drug candidates for the development of new therapeutic alternatives for tularaemia treatment. Their further characterization is needed, especially identification of their bacterial targets

  12. Bis-indolic compounds as potential new therapeutic alternatives for tularaemia.

    PubMed

    Caspar, Yvan; Sutera, Vivien; Boisset, Sandrine; Denis, Jean-Noël; Maurin, Max

    2014-01-01

    Francisella tularensis is the etiological agent of tularaemia and a CDC class A biological threat agent. Few antibiotic classes are currently useful in treating tularaemia, including the aminoglycosides gentamicin and streptomycin, fluoroquinolones, and tetracyclines. However, treatment failures and relapses remain frequent and F. tularensis strains resistant to antibiotics have been easily selected in vitro. In this study, we evaluated the activity of new synthetic bis-indole derivatives against this pathogen. Minimum inhibitory concentrations (MICs) of four compounds (dcm01 to dcm04) were determined for the reference strains F. tularensis subsp. holarctica LVS NCTC10857, F. tularensis subsp. novicida CIP56.12 and F. philomiragia ATCC25015, and for 41 clinical strains of F. tularensis subsp. holarctica isolated in France. Minimal bactericidal concentrations (MBCs) were determined for the dcm02 and dcm04 compounds for the LVS and two clinical strains. Killing curves were also determined for the same three strains exposed to dcm04. All tested bis-indole compounds were bacteriostatic against F. tularensis subsp. holarctica strains, with a MIC90 of 8 μg/mL for dcm01, dcm02, and dcm03, and 2 μg/mL for dcm04. Only one strain was resistant to both dcm01 and dcm03, with MICs > 32 μg/mL. In contrast, F. tularensis subsp. novicida was resistant to all derivatives and F. philomiragia was only susceptible to dcm02 and dcm04, with MICs of 16 and 4 μg/mL, respectively. MBC and killing curve experiments revealed significant bactericidal activity (i.e., 3-log reduction of the bacterial inoculum) of the dcm02 and dcm04 compounds only for the LVS strain. In conclusion, we have identified novel synthetic bis-indole compounds that are active against F. tularensis subsp. holarctica. They may be drug candidates for the development of new therapeutic alternatives for tularaemia treatment. Their further characterization is needed, especially identification of their bacterial targets.

  13. Constraints on hydrocarbon and organic acid abundances in hydrothermal fluids at the Von Damm vent field, Mid-Cayman Rise (Invited)

    NASA Astrophysics Data System (ADS)

    McDermott, J. M.; Seewald, J.; German, C. R.; Sylva, S. P.

    2013-12-01

    The generation of organic compounds in vent fluids has been of interest since the discovery of seafloor hydrothermal systems, due to implications for the sustenance of present-day microbial populations and their potential role in the origin of life on early Earth. Possible sources of organic compounds in hydrothermal systems include microbial production, thermogenic degradation of organic material, and abiotic synthesis. Abiotic organic synthesis reactions may occur during active circulation of seawater-derived fluids through the oceanic crust or within olivine-hosted fluid inclusions containing carbon-rich magmatic volatiles. H2-rich end-member fluids at the Von Damm vent field on the Mid-Cayman Rise, where fluid temperatures reach 226°C, provide an exciting opportunity to examine the extent of abiotic carbon transformations in a highly reducing system. Our results indicate multiple sources of carbon compounds in vent fluids at Von Damm. An ultramafic-influenced hydrothermal system located on the Mount Dent oceanic core complex at 2350 m depth, Von Damm vent fluids contain H2, CH4, and C2+ hydrocarbons in high abundance relative to basalt-hosted vent fields, and in similar abundance to other ultramafic-hosted systems, such as Rainbow and Lost City. The CO2 content and isotopic composition in end-member fluids are virtually identical to bottom seawater, suggesting that seawater DIC is unchanged during hydrothermal circulation of seawater-derived fluids. Accordingly, end-member CH4 that is present in slightly greater abundance than CO2 cannot be generated from reduction of aqueous CO2 during hydrothermal circulation. We postulate that CH4 and C2+ hydrocarbons that are abundantly present in Von Damm vent fluids reflect leaching of fluids from carbon- and H2-rich fluid inclusions hosted in plutonic rocks. Geochemical modeling of carbon speciation in the Von Damm fluids suggests that the relative abundances of CH4, C2+ hydrocarbons, and CO2 are consistent with

  14. Abiotic and biotic factors influencing nanoflagellate abundance and distribution in three different seasons in PRE, South China Sea

    NASA Astrophysics Data System (ADS)

    Zhang, Xia; Shi, Zhen; Huang, Xiaoping; Li, Xiangfu

    2017-07-01

    Spatial distribution characteristics of two nanoflagellate groups, together with physico-chemical and biological factors, were studied in three seasons in the Pearl River Estuary (PRE), South China Sea. Nanoflagellates were more abundant in warm periods than that in winter. The average abundance in the three observations (spring, summer and winter) was as follow: 1.28 ± 1.17, 0.88 ± 1.02 and 0.28 ± 0.23 × 103 cells ml-1 of heterotrophic nanoflagellate (HNF), and 1.26 ± 0.85, 0.89 ± 0.77 and 0.65 ± 0.52 × 103 cells ml-1 of pigmented nanoflagellate (PNF). In our three studied seasons, NF density was generally higher in the inner estuary and decreasing to the lowest in the outer estuary. Our results suggested that PNF classes were more sensitive than HNF groups to freshwater discharge. The proportion of PNF gradually increased from spring (49.7%) to winter (67.7%), with the river flow was accordingly decreasing. Moreover, spatial distribution pattern in three seasons showed the response of PNF populations to freshwater input was similar to phytoplankton assemblages in the PRE. Total bacterial and live bacterial abundance (measured by LIVE/DEAD kit) were associated with both two NF components, which implied that NF was a potential predator controlling the bulk abundance of bacteria and proportion of active cells. These results revealed the seasonal and spatial variations of NF abundance in diverse conditions in the PRE and how their response to different ecological processes.

  15. Nucleosynthesis: Stellar and Solar Abundances and Atomic Data

    NASA Technical Reports Server (NTRS)

    Cowan, John J.; Lawler, James E.; Sneden, Christopher; DenHartog, E. A.; Collier, Jason; Dodge, Homer L.

    2006-01-01

    Abundance observations indicate the presence of often surprisingly large amounts of neutron capture (i.e., s- and r-process) elements in old Galactic halo and globular cluster stars. These observations provide insight into the nature of the earliest generations of stars in the Galaxy the progenitors of the halo stars responsible for neutron-capture synthesis. Comparisons of abundance trends can be used to understand the chemical evolution of the Galaxy and the nature of heavy element nucleosynthesis. In addition age determinations, based upon long-lived radioactive nuclei abundances, can now be obtained. These stellar abundance determinations depend critically upon atomic data. Improved laboratory transition probabilities have been recently obtained for a number of elements. These new gf values have been used to greatly refine the abundances of neutron-capture elemental abundances in the solar photosphere and in very metal-poor Galactic halo stars. The newly determined stellar abundances are surprisingly consistent with a (relative) Solar System r-process pattern, and are also consistent with abundance predictions expected from such neutron-capture nucleosynthesis.

  16. The Survival of Meteorite Organic Compounds with Increasing Impact Pressure

    NASA Technical Reports Server (NTRS)

    Cooper, George; Horz, Friedrich; Oleary, Alanna; Chang, Sherwood; DeVincenzi, Donald L. (Technical Monitor)

    2000-01-01

    The majority of carbonaceous meteorites studied today are thought to originate in the asteroid belt. Impacts among asteroidal objects generate heat and pressure that may have altered or destroyed pre-existing organic matter in both targets and projectiles to a greater or lesser degree depending upon impact velocities. Very little is known about the shock related chemical evolution of organic matter relevant to this stage of the cosmic history of biogenic elements and compounds. The present work continues our study of the effects of shock impacts on selected classes of organic compounds utilizing laboratory shock facilities. Our approach was to subject mixtures of organic compounds, embedded in a matrix of the Murchison meteorite, to a simulated hypervelocity impact. The molecular compositions of products were then analyzed to determine the degree of survival of the original compounds. Insofar as results associated with velocities < 8 km/sec may be relevant to impacts on planetary surfaces (e.g., oblique impacts, impacts on small outer planet satellites) or grain-grain collisions in the interstellar medium, then our experiments will be applicable to these environments as well.

  17. ABUNDANT OR RARE? A HYBRID APPROACH FOR DETERMINING SPECIES RELATIVE ABUNDANCE AT AN ECOREGOIONAL SCALE - 2014

    EPA Science Inventory

    Everyone knows what abundant and rare species are, but quantifying the concept proves elusive. As part of an EPA/USGS project to assess near-coastal species vulnerability to climate change affects, we designed a hybrid approach to determine species relative abundance at an ecoreg...

  18. Geosynthesis of organic compounds: I. Alkylphenols

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ioppolo-Armanios, M.; Alexander, R.; Kagi, R.I.

    1995-07-01

    Methylation, isopropylation, and sec-butylation are proposed as geosynthetic processes to account for the alkylphenol compositions of crude oils with phenol distributions dominated by ortho and para substituted compounds. Phenol distributions in eleven crude oils and four kerogen pyrolysates were analysed using GC-MS (gas chromatography-mass spectrometry). Ten of the crude oils show high relative abundances of ortho and para substituted phenol isomers and some were also enriched in C{sub 3}-C{sub 5} alkylphenols compared to the kerogen pyrolysates. Because the distributions of products obtained from the laboratory alkylation of cresols closely resemble those of phenols in these crude oils, we propose thatmore » similar alkylation processes occur in source rocks. Alkylation ratios reflecting the degree of methylation, isopropylation, and sec-butylation, which were based on the relative abundance of the dominant alkylation products compared to their likely precursor ortho-cresol, indicate that high levels of methylation occurred in crude oils over a wide range of maturities, whereas high levels of isopropylation and sec-butylation were observed only in mature samples. Dissolution of the phenols in crude oils by water contact was discounted as an explanation for the observed phenol distributions based on the relative distribution coefficients of phenols between a hydrocarbon phase and water.« less

  19. BDDCS Class Prediction for New Molecular Entities

    PubMed Central

    Broccatelli, Fabio; Cruciani, Gabriele; Benet, Leslie Z.; Oprea, Tudor I.

    2012-01-01

    The Biopharmaceutics Drug Disposition Classification System (BDDCS) was successfully employed for predicting drug-drug interactions (DDIs) with respect to drug metabolizing enzymes (DMEs), drug transporters and their interplay. The major assumption of BDDCS is that the extent of metabolism (EoM) predicts high versus low intestinal permeability rate, and vice versa, at least when uptake transporters or paracellular transport are not involved. We recently published a collection of over 900 marketed drugs classified for BDDCS. We suggest that a reliable model for predicting BDDCS class, integrated with in vitro assays, could anticipate disposition and potential DDIs of new molecular entities (NMEs). Here we describe a computational procedure for predicting BDDCS class from molecular structures. The model was trained on a set of 300 oral drugs, and validated on an external set of 379 oral drugs, using 17 descriptors calculated or derived from the VolSurf+ software. For each molecule, a probability of BDDCS class membership was given, based on predicted EoM, FDA solubility (FDAS) and their confidence scores. The accuracy in predicting FDAS was 78% in training and 77% in validation, while for EoM prediction the accuracy was 82% in training and 79% in external validation. The actual BDDCS class corresponded to the highest ranked calculated class for 55% of the validation molecules, and it was within the top two ranked more than 92% of the times. The unbalanced stratification of the dataset didn’t affect the prediction, which showed highest accuracy in predicting classes 2 and 3 with respect to the most populated class 1. For class 4 drugs a general lack of predictability was observed. A linear discriminant analysis (LDA) confirmed the degree of accuracy for the prediction of the different BDDCS classes is tied to the structure of the dataset. This model could routinely be used in early drug discovery to prioritize in vitro tests for NMEs (e.g., affinity to transporters

  20. Robust Abundance Estimation in Animal Abundance Surveys with Imperfect Detection

    EPA Science Inventory

    Surveys of animal abundance are central to the conservation and management of living natural resources. However, detection uncertainty complicates the sampling process of many species. One sampling method employed to deal with this problem is depletion (or removal) surveys in whi...

  1. Halogenated fatty amides - A brand new class of disinfection by-products.

    PubMed

    Kosyakov, Dmitry S; Ul'yanovskii, Nikolay V; Popov, Mark S; Latkin, Tomas B; Lebedev, Albert T

    2017-12-15

    An array of similar halogenated nitrogen-containing compounds with elemental composition C n H 2n NO 2 X, C n H 2n-2 NO 2 X and C n H 2n-1 NOX 2 (X = Cl, Br; n = 16, 18, 22) was detected in drinking water with high performance liquid chromatography - high resolution mass spectrometry (HPLC-HRMS) method. Compounds of this type were never mentioned among disinfection by-products. Tandem mass spectrometry allowed referring them to halohydrines or dihalogenated fatty amides, the products of conjugated electrophilic addition of halogens to the double bonds of unsaturated fatty amides. The proposed structures were confirmed by conducting aqueous chlorination with standard solution of oleamide. These compounds may be considered as a brand new class of disinfection by products, while their toxicities require special study. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Comparison of carbonyl compounds emissions from diesel engine fueled with biodiesel and diesel

    NASA Astrophysics Data System (ADS)

    He, Chao; Ge, Yunshan; Tan, Jianwei; You, Kewei; Han, Xunkun; Wang, Junfang; You, Qiuwen; Shah, Asad Naeem

    The characteristics of carbonyl compounds emissions were investigated on a direct injection, turbocharged diesel engine fueled with pure biodiesel derived from soybean oil. The gas-phase carbonyls were collected by 2,4-dinitrophenylhydrazine (DNPH)-coated silica cartridges from diluted exhaust and analyzed by HPLC with UV detector. A commercial standard mixture including 14 carbonyl compounds was used for quantitative analysis. The experimental results indicate that biodiesel-fueled engine almost has triple carbonyls emissions of diesel-fueled engine. The weighted carbonyls emission of 8-mode test cycle of biodiesel is 90.8 mg (kW h) -1 and that of diesel is 30.7 mg (kW h) -1. The formaldehyde is the most abundant compound of carbonyls for both biodiesel and diesel, taking part for 46.2% and 62.7% respectively. The next most significant compounds are acetaldehyde, acrolein and acetone for both fuels. The engine fueled with biodiesel emits a comparatively high content of propionaldehyde and methacrolein. Biodiesel, as an alternative fuel, has lower specific reactivity (SR) caused by carbonyls compared with diesel. When fueled with biodiesel, carbonyl compounds make more contribution to total hydrocarbon emission.

  3. Student Evaluation of Online Pharmaceutical Compounding Videos

    PubMed Central

    Park, Hanna L.

    2016-01-01

    Objective. To describe pharmacy students’ views on the effectiveness of an expansion of the compounding laboratory website at the UNC Eshelman School of Pharmacy. Methods. Originally, there were 39 videos and three animations available. In 2011, an additional 59 videos and two animations were added. Concurrently, all of the interactive questions were updated to fully integrate with the expanded video library. Students were surveyed about the expanded video library regarding accessibility, functionality, and usefulness, and how using the library impacted their learning of compounding. Surveys were analyzed with descriptive statistics. Means and SDs were calculated for the rating scale questions; independent t tests and Wilcoxon nonparametric tests were used to find differences between professional classes and campuses. Analytical results were evaluated with a one-way analysis of variance (ANOVA), z test, and a homogeneity of variance (Levene’s) test. Results. The response rate to the survey was 85%. Compounding videos were used by 386/391 students. Thirty-four percent of students used the videos an average of 30 minutes or less per week; 56% used the videos 1–2 hours per week. Approximately 80% of students were satisfied with the functionality and accessibility of the videos. All students, regardless of professional year or campus affiliation, put their confidence/competence at about 70% of the rating scale. Conclusions. As no standardized compounding curriculum was found in US schools of pharmacy and students reported being satisfied with the website, it could be an accessible, functional, and useful resource for pharmaceutical compounding in schools of pharmacy. PMID:27073283

  4. Student Evaluation of Online Pharmaceutical Compounding Videos.

    PubMed

    Park, Hanna L; Shrewsbury, Robert P

    2016-03-25

    Objective. To describe pharmacy students' views on the effectiveness of an expansion of the compounding laboratory website at the UNC Eshelman School of Pharmacy. Methods. Originally, there were 39 videos and three animations available. In 2011, an additional 59 videos and two animations were added. Concurrently, all of the interactive questions were updated to fully integrate with the expanded video library. Students were surveyed about the expanded video library regarding accessibility, functionality, and usefulness, and how using the library impacted their learning of compounding. Surveys were analyzed with descriptive statistics. Means and SDs were calculated for the rating scale questions; independent t tests and Wilcoxon nonparametric tests were used to find differences between professional classes and campuses. Analytical results were evaluated with a one-way analysis of variance (ANOVA), z test, and a homogeneity of variance (Levene's) test. Results. The response rate to the survey was 85%. Compounding videos were used by 386/391 students. Thirty-four percent of students used the videos an average of 30 minutes or less per week; 56% used the videos 1-2 hours per week. Approximately 80% of students were satisfied with the functionality and accessibility of the videos. All students, regardless of professional year or campus affiliation, put their confidence/competence at about 70% of the rating scale. Conclusions. As no standardized compounding curriculum was found in US schools of pharmacy and students reported being satisfied with the website, it could be an accessible, functional, and useful resource for pharmaceutical compounding in schools of pharmacy.

  5. TEA: A CODE CALCULATING THERMOCHEMICAL EQUILIBRIUM ABUNDANCES

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Blecic, Jasmina; Harrington, Joseph; Bowman, M. Oliver, E-mail: jasmina@physics.ucf.edu

    2016-07-01

    We present an open-source Thermochemical Equilibrium Abundances (TEA) code that calculates the abundances of gaseous molecular species. The code is based on the methodology of White et al. and Eriksson. It applies Gibbs free-energy minimization using an iterative, Lagrangian optimization scheme. Given elemental abundances, TEA calculates molecular abundances for a particular temperature and pressure or a list of temperature–pressure pairs. We tested the code against the method of Burrows and Sharp, the free thermochemical equilibrium code Chemical Equilibrium with Applications (CEA), and the example given by Burrows and Sharp. Using their thermodynamic data, TEA reproduces their final abundances, but withmore » higher precision. We also applied the TEA abundance calculations to models of several hot-Jupiter exoplanets, producing expected results. TEA is written in Python in a modular format. There is a start guide, a user manual, and a code document in addition to this theory paper. TEA is available under a reproducible-research, open-source license via https://github.com/dzesmin/TEA.« less

  6. Nature's starships. I. Observed abundances and relative frequencies of amino acids in meteorites

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cobb, Alyssa K.; Pudritz, Ralph E., E-mail: cobbak@mcmaster.ca, E-mail: pudritz@physics.mcmaster.ca

    The class of meteorites called carbonaceous chondrites are examples of material from the solar system which have been relatively unchanged from the time of their initial formation. These meteorites have been classified according to the temperatures and physical conditions of their parent planetesimals. We collate available data on amino acid abundance in these meteorites and plot the concentrations of different amino acids for each meteorite within various meteorite subclasses. We plot average concentrations for various amino acids across meteorites separated by subclass and petrologic type. We see a predominance in the abundance and variety of amino acids in CM2 andmore » CR2 meteorites. The range in temperature corresponding to these subclasses indicates high degrees of aqueous alteration, suggesting aqueous synthesis of amino acids. Within the CM2 and CR2 subclasses, we identify trends in relative frequencies of amino acids to investigate how common amino acids are as a function of their chemical complexity. These two trends (total abundance and relative frequencies) can be used to constrain formation parameters of amino acids within planetesimals. Our organization of the data supports an onion shell model for the temperature structure of planetesimals. The least altered meteorites (type 3) and their amino acids originated near cooler surface regions. The most active amino acid synthesis likely took place at intermediate depths (type 2). The most altered materials (type 1) originated furthest toward parent body cores. This region is likely too hot to either favor amino acid synthesis or for amino acids to be retained after synthesis.« less

  7. Negative plant-soil feedback predicts tree-species relative abundance in a tropical forest.

    PubMed

    Mangan, Scott A; Schnitzer, Stefan A; Herre, Edward A; Mack, Keenan M L; Valencia, Mariana C; Sanchez, Evelyn I; Bever, James D

    2010-08-05

    The accumulation of species-specific enemies around adults is hypothesized to maintain plant diversity by limiting the recruitment of conspecific seedlings relative to heterospecific seedlings. Although previous studies in forested ecosystems have documented patterns consistent with the process of negative feedback, these studies are unable to address which classes of enemies (for example, pathogens, invertebrates, mammals) exhibit species-specific effects strong enough to generate negative feedback, and whether negative feedback at the level of the individual tree is sufficient to influence community-wide forest composition. Here we use fully reciprocal shade-house and field experiments to test whether the performance of conspecific tree seedlings (relative to heterospecific seedlings) is reduced when grown in the presence of enemies associated with adult trees. Both experiments provide strong evidence for negative plant-soil feedback mediated by soil biota. In contrast, above-ground enemies (mammals, foliar herbivores and foliar pathogens) contributed little to negative feedback observed in the field. In both experiments, we found that tree species that showed stronger negative feedback were less common as adults in the forest community, indicating that susceptibility to soil biota may determine species relative abundance in these tropical forests. Finally, our simulation models confirm that the strength of local negative feedback that we measured is sufficient to produce the observed community-wide patterns in tree-species relative abundance. Our findings indicate that plant-soil feedback is an important mechanism that can maintain species diversity and explain patterns of tree-species relative abundance in tropical forests.

  8. Discovery of M class objects among the near-earth asteroid population

    NASA Technical Reports Server (NTRS)

    Tedesco, Edward F.; Gradie, Jonathan

    1987-01-01

    Broadband colorimetry, visual photometry, near-infrared photometry, and 10 and 20 micron radiometry of the near-earth asteroids (NEAs) 1986 DA and 1986 EB are used to show that these objects belong to the M class of asteroids. The similarity among the distributions of taxonomic classes among the 38 NEAs to the abundances found in the inner astoroid belt between the 3:1 and 5:2 resonances suggests that NEAs have their origins among asteroids in the vicinity of these resonances. The implied mineralogy of 1986 DA and 1986 EB is mostly nickel-iron metal; if this is indeed the case, then current models for meteorite production based on strength-related collisional processes on asteroidal surfaces predict that these two objects alone should produce about one percent of all meteorite falls. Iron meteorites derived from these near-earth asteroids should have low cosmic-ray exposure ages.

  9. Coronae of Stars with Supersolar Elemental Abundances

    NASA Technical Reports Server (NTRS)

    Peretz, Uria; Behar, Ehud; Drake, Stephen A.

    2015-01-01

    Coronal elemental abundances are known to deviate from the photospheric values of their parent star, with the degree of deviation depending on the first ionization potential (FIP). This study focuses on the coronal composition of stars with supersolar photospheric abundances. We present the coronal abundances of six such stars: 11 LMi, iota Hor, HR 7291, tau Boo, and alpha Cen A and B. These stars all have high-statistics X-ray spectra, three of which are presented for the first time. The abundances we measured were obtained using the line-resolved spectra of the Reflection Grating Spectrometer (RGS) in conjunction with the higher throughput EPIC-pn camera spectra onboard the XMM-Newton observatory. A collisionally ionized plasma model with two or three temperature components is found to represent the spectra well. All elements are found to be consistently depleted in the coronae compared to their respective photospheres. For 11 LMi and tau Boo no FIP effect is present, while iota Hor, HR 7291, and alpha Cen A and B show a clear FIP trend. These conclusions hold whether the comparison is made with solar abundances or the individual stellar abundances. Unlike the solar corona, where low-FIP elements are enriched, in these stars the FIP effect is consistently due to a depletion of high-FIP elements with respect to actual photospheric abundances. A comparison with solar (instead of stellar) abundances yields the same fractionation trend as on the Sun. In both cases, a similar FIP bias is inferred, but different fractionation mechanisms need to be invoked.

  10. Multivariate analysis of volatile compounds detected by headspace solid-phase microextraction/gas chromatography: A tool for sensory classification of cork stoppers.

    PubMed

    Prat, Chantal; Besalú, Emili; Bañeras, Lluís; Anticó, Enriqueta

    2011-06-15

    The volatile fraction of aqueous cork macerates of tainted and non-tainted agglomerate cork stoppers was analysed by headspace solid-phase microextraction (HS-SPME)/gas chromatography. Twenty compounds containing terpenoids, aliphatic alcohols, lignin-related compounds and others were selected and analysed in individual corks. Cork stoppers were previously classified in six different classes according to sensory descriptions including, 2,4,6-trichloroanisole taint and other frequent, non-characteristic odours found in cork. A multivariate analysis of the chromatographic data of 20 selected chemical compounds using linear discriminant analysis models helped in the differentiation of the a priori made groups. The discriminant model selected five compounds as the best combination. Selected compounds appear in the model in the following order; 2,4,6 TCA, fenchyl alcohol, 1-octen-3-ol, benzyl alcohol and benzothiazole. Unfortunately, not all six a priori differentiated sensory classes were clearly discriminated in the model, probably indicating that no measurable differences exist in the chromatographic data for some categories. The predictive analyses of a refined model in which two sensory classes were fused together resulted in a good classification. Prediction rates of control (non-tainted), TCA, musty-earthy-vegetative, vegetative and chemical descriptions were 100%, 100%, 85%, 67.3% and 100%, respectively, when the modified model was used. The multivariate analysis of chromatographic data will help in the classification of stoppers and provide a perfect complement to sensory analyses. Copyright © 2010 Elsevier Ltd. All rights reserved.

  11. Nitrogen-Containing Low Volatile Compounds from Pinonaldehyde-Dimethylamine Reaction in the Atmosphere: A Laboratory and Field Study.

    PubMed

    Duporté, Geoffroy; Parshintsev, Jevgeni; Barreira, Luís M F; Hartonen, Kari; Kulmala, Markku; Riekkola, Marja-Liisa

    2016-05-03

    Pinonaldehyde, which is among the most abundant oxidation products of α-pinene, and dimethylamine were selected to study the formation of N-containing low volatile compounds from aldehyde-amine reactions in the atmosphere. Gas phase reactions took place in a Tedlar bag, which was connected to a mass spectrometer ionization source via a short deactivated fused silica column. In addition to on-line analysis, abundance of gaseous precursors and reaction products were monitored off-line. Condensable products were extracted from the bag's walls with a suitable solvent and analyzed by gas chromatography coupled to chemical ionization high-resolution quadrupole time-of-flight mass spectrometry and by ultra-high-performance liquid chromatography coupled to electrospray ionization Orbitrap mass spectrometry. The reactions carried out resulted in several mid-low vapor pressure nitrogen-containing compounds that are potentially important for the formation of secondary organic aerosols in the atmosphere. Further, the presence of brown carbon, confirmed by liquid chromatography-UV-vis-mass spectrometry, was observed. Some of the compounds identified in the laboratory study were also observed in aerosol samples collected at SMEAR II station (Hyytiälä, Finland) in August 2015 suggesting the importance of aldehyde-amine reactions for the aerosol formation and growth.

  12. Interstellar Abundances Toward X Per, Revisited

    NASA Technical Reports Server (NTRS)

    Valencic, Lynne A.; Smith, Randall K.

    2014-01-01

    The nearby X-ray binary X Per (HD 24534) provides a useful beacon with which to measure elemental abundances in the local ISM. We examine absorption features of 0, Mg, and Si along this line of sight using spectra from the Chandra Observatory's LETG/ ACIS-S and XMM-Newton's RGS instruments. In general, we find that the abundances and their ratios are similar to those of young F and G stars and the most recent solar values. We compare our results with abundances required by dust grain models.

  13. Interstellar Abundances Toward X Per, Revisited

    NASA Technical Reports Server (NTRS)

    Valencic, Lynne A.; Smith, Randall K.

    2012-01-01

    The nearby X-ray binary X Per (HD 24534) provides a useful beacon with which to measure elemental abundances in the local ISM. We examine absorption features of O, Mg, and Si along this line of sight using spectra from the Chandra Observatory's LETG/ACIS-S and XMM-Newton's RGS instruments. In general, we find that the abundances and their ratios are similar to those of young F and G stars and the most recent solar values. We compare our results with abundances required by dust grain models.

  14. Novel classes of antibiotics or more of the same?

    PubMed

    Coates, Anthony R M; Halls, Gerry; Hu, Yanmin

    2011-05-01

    The world is running out of antibiotics. Between 1940 and 1962, more than 20 new classes of antibiotics were marketed. Since then, only two new classes have reached the market. Analogue development kept pace with the emergence of resistant bacteria until 10-20 years ago. Now, not enough analogues are reaching the market to stem the tide of antibiotic resistance, particularly among gram-negative bacteria. This review examines the existing systemic antibiotic pipeline in the public domain, and reveals that 27 compounds are in clinical development, of which two are new classes, both of which are in Phase I clinical trials. In view of the high attrition rate of drugs in early clinical development, particularly new classes and the current regulatory hurdles, it does not seem likely that new classes will be marketed soon. This paper suggests that, if the world is to return to a situation in which there are enough antibiotics to cope with the inevitable ongoing emergence of bacterial resistance, we need to recreate the prolific antibiotic discovery period between 1940 and 1962, which produced 20 classes that served the world well for 60 years. If another 20 classes and their analogues, particularly targeting gram-negatives could be produced soon, they might last us for the next 60 years. How can this be achieved? Only a huge effort by governments in the form of finance, legislation and providing industry with real incentives will reverse this. Industry needs to re-enter the market on a much larger scale, and academia should rebuild its antibiotic discovery infrastructure to support this effort. The alternative is Medicine without effective antibiotics. © 2011 The Authors. British Journal of Pharmacology © 2011 The British Pharmacological Society.

  15. Novel classes of antibiotics or more of the same?

    PubMed Central

    Coates, Anthony RM; Halls, Gerry; Hu, Yanmin

    2011-01-01

    The world is running out of antibiotics. Between 1940 and 1962, more than 20 new classes of antibiotics were marketed. Since then, only two new classes have reached the market. Analogue development kept pace with the emergence of resistant bacteria until 10–20 years ago. Now, not enough analogues are reaching the market to stem the tide of antibiotic resistance, particularly among gram-negative bacteria. This review examines the existing systemic antibiotic pipeline in the public domain, and reveals that 27 compounds are in clinical development, of which two are new classes, both of which are in Phase I clinical trials. In view of the high attrition rate of drugs in early clinical development, particularly new classes and the current regulatory hurdles, it does not seem likely that new classes will be marketed soon. This paper suggests that, if the world is to return to a situation in which there are enough antibiotics to cope with the inevitable ongoing emergence of bacterial resistance, we need to recreate the prolific antibiotic discovery period between 1940 and 1962, which produced 20 classes that served the world well for 60 years. If another 20 classes and their analogues, particularly targeting gram-negatives could be produced soon, they might last us for the next 60 years. How can this be achieved? Only a huge effort by governments in the form of finance, legislation and providing industry with real incentives will reverse this. Industry needs to re-enter the market on a much larger scale, and academia should rebuild its antibiotic discovery infrastructure to support this effort. The alternative is Medicine without effective antibiotics. LINKED ARTICLES This article is part of a themed issue on Respiratory Pharmacology. To view the other articles in this issue visit http://dx.doi.org/10.1111/bph.2011.163.issue-1 PMID:21323894

  16. Aqueous reactions of triplet excited states with allylic compounds

    NASA Astrophysics Data System (ADS)

    Kaur, R.; Anastasio, C.; Hudson, B. M.; Tantillo, D. J.

    2016-12-01

    Triplet excited states of dissolved organic matter react with several classes of aromatic organics such as phenols, anilines, sulfonamide antibiotics and phenylurea herbicides. Aqueous triplets appear to be among the most important oxidants for atmospheric phenols in regions with biomass burning, with phenol lifetimes on the order of a few hours to a day. However, little is known of the reactions of triplets with other classes of organic compounds. Recent work from our group shows that triplets react rapidly with several biogenic volatile organic compounds (BVOCs), such as methyl jasmonate, cis-3-hexenyl acetate, and cis-3-hexen-1-ol. However, there are only a few rate constants for aqueous reactions between alkenes such as these and triplet excited states. For our work, we refer to these and similar alkenes which have hydrogen(s) attached to a carbon adjacent to the double bond, as allylic compounds. To better assess the importance of triplets as aqueous oxidants, we measured second-order rate constants (kAC+3BP*) for a number of allylic compounds (ACs) with the triplet state of benzophenone; then established a quantitative structure-activity relationship (QSAR) between kAC+3BP* and computed oxidation potential of the ACs (R2 =0.65). Using the QSAR, we estimated the rate constants for triplets with some allylic isoprene and limonene oxidation products that have high Henry's law constants (KH>103 M atm-1). Hydroxylated limonene products and the delta-isomers of isoprene hydroxyhydroperoxides (δ4ISOPOOH) and hydroxynitrates (δ4ISONO2) were faster with predicted kAC+3BP* values ranging between (0.5-3.5) x 109 M-1-s-1 whereas the beta-isomers of ISOPOOH and ISONO2 were slower (kAC+3BP* < 0.5 x 109 M-1s-1). We scaled the predicted kAC+3BP* to represent less reactive atmospheric triplets that have been measured in fog drops, and compared to gas and aqueous hydroxyl radical and ozone, triplets in fog could account for up to 20 % of the measured loss of these compounds

  17. Epidemiologic evidence for a new class of compounds associated with toxic oil syndrome.

    PubMed

    Posada de la Paz, M; Philen, R M; Schurz, H; Hill, R H; Giménez Ribota, O; Gómez de la Camara, A; Kilbourne, E M; Abaitua, I

    1999-03-01

    Toxic oil syndrome appeared in epidemic form in Spain in 1981. Epidemiologic studies have demonstrated that illness was caused by consumption of rapeseed oil that had been denatured with aniline. Chemical analyses of oil specimens conducted in conjunction with epidemiologic studies have established that consumption of specific oils containing fatty acid anilide contaminants was associated with increased risk for disease. New chemical analytic methods identified a family of compounds, the di-fatty acid esters of phenylamino propane-diol, and one of these compounds, the 1,2-di-oleyl ester of 3-(N-phenylamino)-1,2-propanediol (DPAP), has been found to be more strongly associated with disease status than the fatty acid anilides. We found the odds ratio for exposure to DPAP (OR = 26.4, 95% CI = 6.4-76.3) is much higher than the odds ratio for exposure to oleyl anilide (OR = 4.1, 95% CI = 2.2-7.8), implying that exposure to DPAP was a more relevant risk factor for development of toxic oil syndrome than exposure to oleyl anilide. In this paper, we review and present analyses of data from multiple studies of the possible etiologic role of DPAP in toxic oil syndrome. The presence of DPAP in oil collected from affected and unaffected households was a more specific correlate of case relatedness than was the presence of fatty acid anilides, and it was equally sensitive. Moreover, DPAP was found in oil from the only refinery whose oil was clearly associated with illness.

  18. Abundance estimation and conservation biology

    USGS Publications Warehouse

    Nichols, J.D.; MacKenzie, D.I.

    2004-01-01

    Abundance is the state variable of interest in most population–level ecological research and in most programs involving management and conservation of animal populations. Abundance is the single parameter of interest in capture–recapture models for closed populations (e.g., Darroch, 1958; Otis et al., 1978; Chao, 2001). The initial capture–recapture models developed for partially (Darroch, 1959) and completely (Jolly, 1965; Seber, 1965) open populations represented efforts to relax the restrictive assumption of population closure for the purpose of estimating abundance. Subsequent emphases in capture–recapture work were on survival rate estimation in the 1970’s and 1980’s (e.g., Burnham et al., 1987; Lebreton et al.,1992), and on movement estimation in the 1990’s (Brownie et al., 1993; Schwarz et al., 1993). However, from the mid–1990’s until the present time, capture–recapture investigators have expressed a renewed interest in abundance and related parameters (Pradel, 1996; Schwarz & Arnason, 1996; Schwarz, 2001). The focus of this session was abundance, and presentations covered topics ranging from estimation of abundance and rate of change in abundance, to inferences about the demographic processes underlying changes in abundance, to occupancy as a surrogate of abundance. The plenary paper by Link & Barker (2004) is provocative and very interesting, and it contains a number of important messages and suggestions. Link & Barker (2004) emphasize that the increasing complexity of capture–recapture models has resulted in large numbers of parameters and that a challenge to ecologists is to extract ecological signals from this complexity. They offer hierarchical models as a natural approach to inference in which traditional parameters are viewed as realizations of stochastic processes. These processes are governed by hyperparameters, and the inferential approach focuses on these hyperparameters. Link & Barker (2004) also suggest that our attention

  19. Hydrothermal treatment of chestnut shells (Castanea sativa) to produce oligosaccharides and antioxidant compounds.

    PubMed

    Gullón, Beatriz; Eibes, Gemma; Dávila, Izaskun; Moreira, María Teresa; Labidi, Jalel; Gullón, Patricia

    2018-07-15

    Hydrothermal treatment is an environmentally friendly technology that allows the solubilisation of hemicellulosic oligosaccharides with potential for their use as prebiotics. The purpose of this study was to solubilize oligosaccharides and antioxidant compounds from chestnut shells by a hydrothermal processing. The highest content of oligosaccharides (18.3 g/L), with a relatively low level of monosaccharides (2.4 g/L) and degradation products (0.5 g/L) was obtained at 180 °C (severity of 3.08). In addition, the liquors presented a high content of phenolic and flavonoid compounds with good antioxidant properties. The GC-MS revealed that the most abundant phenolic compound was pyrogallol (13.2%). The molecular weight distribution of the solubilization products showed that a 26.5% presented an apparent Mw of 6077 g/mol and a 73.5% presented an apparent Mw of 586 g/mol with a high polydispersity index. MALDI-TOF, FTIR, and TGA analyses revealed structural information of these compounds and their thermal stability. Copyright © 2018 Elsevier Ltd. All rights reserved.

  20. Development of metal-chelating inhibitors for the Class II fructose 1,6-bisphosphate (FBP) aldolase.

    PubMed

    Labbé, Geneviève; Krismanich, Anthony P; de Groot, Sarah; Rasmusson, Timothy; Shang, Muhong; Brown, Matthew D R; Dmitrienko, Gary I; Guillemette, J Guy

    2012-07-01

    It has long been suggested that the essential and ubiquitous enzyme fructose 1,6-bisphosphate (FBP) aldolase could be a good drug target against bacteria and fungi, since lower organisms possess a metal-dependant (Class II) FBP aldolase, as opposed to higher organisms which possess a Schiff-base forming (Class I) FBP aldolase. We have tested the capacity of derivatives of the metal-chelating compound dipicolinic acid (DPA), as well a thiol-containing compound, to inhibit purified recombinant Class II FBP aldolases from Mycobacterium tuberculosis, Pseudomonas aeruginosa, Bacillus cereus, Bacillus anthracis, and from the Rice Blast causative agent Magnaporthe grisea. The aldolase from M. tuberculosis was the most sensitive to the metal-chelating inhibitors, with an IC(50) of 5.2 μM with 2,3-dimercaptopropanesulfonate (DMPS) and 28 μM with DPA. DMPS and the synthesized inhibitor 6-(phosphonomethyl)picolinic acid inhibited the enzyme in a time-dependent, competitive fashion, with second order rate constants of 273 and 270 M(-1) s(-1) respectively for the binding of these compounds to the M. tuberculosis aldolase's active site in the presence of the substrate FBP (K(M) 27.9 μM). The most potent first generation inhibitors were modeled into the active site of the M. tuberculosis aldolase structure, with results indicating that the metal chelators tested cannot bind the catalytic zinc in a bidentate fashion while it remains in its catalytic location, and that most enzyme-ligand interactions involve the phosphate binding pocket residues. Copyright © 2012 Elsevier Inc. All rights reserved.

  1. Sunspots, Starspots, and Elemental Abundances

    NASA Astrophysics Data System (ADS)

    Doschek, George A.; Warren, Harry P.

    2017-08-01

    The composition of plasma in solar and stellar atmospheres is not fixed, but varies from feature to feature. These variations are organized by the First Ionization Potential (FIP) of the element. Solar measurements often indicate that low FIP elements (< 10eV, such as Fe, Si, Mg) are enriched by factors of 3-4 in the corona relative to high FIP elements (>10 eV, such as C, N, O, Ar, He) compared to abundances in the photosphere. Stellar observations have also shown similar enrichments. An inverse FIP effect, where the low FIP elements are depleted, has been observed in stellar coronae of stars believed to have large starspots in their photospheres. The abundances are important for determining radiative loss rates in models, tracing the origin of the slow solar wind, and for understanding wave propagation in the chromosphere and corona. Recently, inverse FIP effects have been discovered in the Sun (Doschek, Warren, & Feldman 2015, ApJ, 808, L7) from spectra obtained by the Extreme-ultraviolet Imaging Spectrometer (EIS) on the Hinode spacecraft. The inverse FIP regions seem always to be near sunspots and cover only a very small area (characteristic length = a few arcseconds). However, in pursuing the search for inverse FIP regions, we have found that in some sunspot groups the coronal abundance at a temperature of 3-4 MK can be near photospheric over much larger areas of the sun near the sunspots (e.g., 6,000 arcsec2). Also, sometimes the abundances at 3-4 MK are in between coronal and photospheric values. This can occur in small areas of an active region. It is predicted (Laming 2015, Sol. Phys., 12, 2) that the FIP effect should be highly variable in the corona. Several examples of coronal abundance variations are presented. Our work indicates that a comprehensive re-investigation of solar abundances is highly desirable. This work is supported by a NASA Hinode grant.

  2. Compound Leaf Development and Evolution in the Legumes[W

    PubMed Central

    Champagne, Connie E.M.; Goliber, Thomas E.; Wojciechowski, Martin F.; Mei, Raymond W.; Townsley, Brad T.; Wang, Kan; Paz, Margie M.; Geeta, R.; Sinha, Neelima R.

    2007-01-01

    Across vascular plants, Class 1 KNOTTED1-like (KNOX1) genes appear to play a critical role in the development of compound leaves. An exception to this trend is found in the Fabaceae, where pea (Pisum sativum) uses UNIFOLIATA, an ortholog of the floral regulators FLORICAULA (FLO) and LEAFY (LFY), in place of KNOX1 genes to regulate compound leaf development. To assess the phylogenetic distribution of KNOX1-independent compound leaf development, a survey of KNOX1 protein expression across the Fabaceae was undertaken. The majority of compound-leafed Fabaceae have expression of KNOX1 proteins associated with developing compound leaves. However, in a large subclade of the Fabaceae, the inverted repeat–lacking clade (IRLC), of which pea is a member, KNOX1 expression is not associated with compound leaves. These data suggest that the FLO/LFY gene may function in place of KNOX1 genes in generating compound leaves throughout the IRLC. The contribution of FLO/LFY to leaf complexity in a member of the Fabaceae outside of the IRLC was examined by reducing expression of FLO/LFY orthologs in transgenic soybean (Glycine max). Transgenic plants with reduced FLO/LFY expression showed only slight reductions in leaflet number. Overexpression of a KNOX1 gene in alfalfa (Medicago sativa), a member of the IRLC, resulted in an increase in leaflet number. This implies that KNOX1 targets, which promote compound leaf development, are present in alfalfa and are still sensitive to KNOX1 regulation. These data suggest that KNOX1 genes and the FLO/LFY gene may have played partially overlapping roles in compound leaf development in ancestral Fabaceae but that the FLO/LFY gene took over this role in the IRLC. PMID:17993625

  3. Imidazopyridine Compounds Inhibit Mycobacterial Growth by Depleting ATP Levels.

    PubMed

    O'Malley, Theresa; Alling, Torey; Early, Julie V; Wescott, Heather A; Kumar, Anuradha; Moraski, Garrett C; Miller, Marvin J; Masquelin, Thierry; Hipskind, Philip A; Parish, Tanya

    2018-06-01

    The imidazopyridines are a promising new class of antitubercular agents with potent activity in vitro and in vivo We isolated mutants of Mycobacterium tuberculosis resistant to a representative imidazopyridine; the mutants had large shifts (>20-fold) in MIC. Whole-genome sequencing revealed mutations in Rv1339, a hypothetical protein of unknown function. We isolated mutants resistant to three further compounds from the series; resistant mutants isolated from two of the compounds had single nucleotide polymorphisms in Rv1339 and resistant mutants isolated from the third compound had single nucleotide polymorphisms in QcrB, the proposed target for the series. All the strains were resistant to two compounds, regardless of the mutation, and a strain carrying the QcrB T313I mutation was resistant to all of the imidazopyridine derivatives tested, confirming cross-resistance. By monitoring pH homeostasis and ATP generation, we confirmed that compounds from the series were targeting QcrB; imidazopyridines disrupted pH homeostasis and depleted ATP, providing further evidence of an effect on the electron transport chain. A representative compound was bacteriostatic against replicating bacteria, consistent with a mode of action against QcrB. The series had a narrow inhibitory spectrum, with no activity against other bacterial species. No synergy or antagonism was seen with other antituberculosis drugs under development. In conclusion, our data support the hypothesis that the imidazopyridine series functions by reducing ATP generation via inhibition of QcrB. Copyright © 2018 O'Malley et al.

  4. Patterns of rare and abundant marine microbial eukaryotes.

    PubMed

    Logares, Ramiro; Audic, Stéphane; Bass, David; Bittner, Lucie; Boutte, Christophe; Christen, Richard; Claverie, Jean-Michel; Decelle, Johan; Dolan, John R; Dunthorn, Micah; Edvardsen, Bente; Gobet, Angélique; Kooistra, Wiebe H C F; Mahé, Frédéric; Not, Fabrice; Ogata, Hiroyuki; Pawlowski, Jan; Pernice, Massimo C; Romac, Sarah; Shalchian-Tabrizi, Kamran; Simon, Nathalie; Stoeck, Thorsten; Santini, Sébastien; Siano, Raffaele; Wincker, Patrick; Zingone, Adriana; Richards, Thomas A; de Vargas, Colomban; Massana, Ramon

    2014-04-14

    Biological communities are normally composed of a few abundant and many rare species. This pattern is particularly prominent in microbial communities, in which most constituent taxa are usually extremely rare. Although abundant and rare subcommunities may present intrinsic characteristics that could be crucial for understanding community dynamics and ecosystem functioning, microbiologists normally do not differentiate between them. Here, we investigate abundant and rare subcommunities of marine microbial eukaryotes, a crucial group of organisms that remains among the least-explored biodiversity components of the biosphere. We surveyed surface waters of six separate coastal locations in Europe, independently considering the picoplankton, nanoplankton, and microplankton/mesoplankton organismal size fractions. Deep Illumina sequencing of the 18S rRNA indicated that the abundant regional community was mostly structured by organismal size fraction, whereas the rare regional community was mainly structured by geographic origin. However, some abundant and rare taxa presented similar biogeography, pointing to spatiotemporal structure in the rare microeukaryote biosphere. Abundant and rare subcommunities presented regular proportions across samples, indicating similar species-abundance distributions despite taxonomic compositional variation. Several taxa were abundant in one location and rare in other locations, suggesting large oscillations in abundance. The substantial amount of metabolically active lineages found in the rare biosphere suggests that this subcommunity constitutes a diversity reservoir that can respond rapidly to environmental change. We propose that marine planktonic microeukaryote assemblages incorporate dynamic and metabolically active abundant and rare subcommunities, with contrasting structuring patterns but fairly regular proportions, across space and time. Copyright © 2014 Elsevier Ltd. All rights reserved.

  5. Interstellar abundances - Gas and dust

    NASA Technical Reports Server (NTRS)

    Field, G. B.

    1974-01-01

    Data on abundances of interstellar atoms, ions and molecules in front of zeta Oph are assembled and analyzed. The gas-phase abundances of at least 11 heavy elements are significantly lower, relative to hydrogen, than in the solar system. The abundance deficiencies of certain elements correlate with the temperatures derived theoretically for particle condensation in stellar atmospheres or nebulae, suggesting that these elements have condensed into dust grains near stars. There is evidence that other elements have accreted onto such grains after their arrival in interstellar space. The extinction spectrum of zeta Oph can be explained qualitatively and, to a degree, quantitatively by dust grains composed of silicates, graphite, silicon carbide, and iron, with mantles composed of complex molecules of H, C, N, and O. This composition is consistent with the observed gas-phase deficiencies.

  6. Social Class Dialogues and the Fostering of Class Consciousness

    ERIC Educational Resources Information Center

    Madden, Meredith

    2015-01-01

    How do critical pedagogies promote undergraduate students' awareness of social class, social class identity, and social class inequalities in education? How do undergraduate students experience class consciousness-raising in the intergroup dialogue classroom? This qualitative study explores undergraduate students' class consciousness-raising in an…

  7. A retention index calculator simplifies identification of plant volatile organic compounds.

    PubMed

    Lucero, Mary; Estell, Rick; Tellez, María; Fredrickson, Ed

    2009-01-01

    Plant volatiles (PVOCs) are important targets for studies in natural products, chemotaxonomy and biochemical ecology. The complexity of PVOC profiles often limits research to studies targeting only easily identified compounds. With the availability of mass spectral libraries and recent growth of retention index (RI) libraries, PVOC identification can be achieved using only gas chromatography coupled to mass spectrometry (GCMS). However, RI library searching is not typically automated, and until recently, RI libraries were both limited in scope and costly to obtain. To automate RI calculation and lookup functions commonly utilised in PVOC analysis. Formulae required for calculating retention indices from retention time data were placed in a spreadsheet along with lookup functions and a retention index library. Retention times obtained from GCMS analysis of alkane standards and Koeberlinia spinosa essential oil were entered into the spreadsheet to determine retention indices. Indices were used in combination with mass spectral analysis to identify compounds contained in Koeberlinia spinosa essential oil. Eighteen compounds were positively identified. Total oil yield was low, with only 5 ppm in purple berries. The most abundant compounds were octen-3-ol and methyl salicylate. The spreadsheet accurately calculated RIs of the detected compounds. The downloadable spreadsheet tool developed for this study provides a calculator and RI library that works in conjuction with GCMS or other analytical techniques to identify PVOCs in plant extracts.

  8. Anomalous stress response of ultrahard WB n compounds

    DOE PAGES

    Li, Quan; Zhou, Dan; Zheng, Weitao; ...

    2015-10-29

    Boron-rich tungsten borides are premier prototypes of a new class of ultrahard compounds. Here, we show by first-principles calculations that their stress-strain relations display surprisingly diverse and anomalous behavior under a variety of loading conditions. Most remarkable is the dramatically changing bonding configurations and deformation modes with rising boron concentration in WB n (n=2, 3, 4), resulting in significantly different stress responses and unexpected indentation strength variations. This novel phenomenon stems from the peculiar structural arrangements in tungsten borides driven by boron’s ability to form unusually versatile bonding states. Our results elucidate the intriguing deformation mechanisms that define a distinctmore » type of ultrahard material. Here, these new insights underscore the need to explore unconventional structure-property relations in a broad range of transition-metal light-element compounds.« less

  9. Abundance and persistence of antibiotic resistance genes in livestock farms: a comprehensive investigation in eastern China.

    PubMed

    Cheng, Weixiao; Chen, Hong; Su, Chao; Yan, Shuhai

    2013-11-01

    Increases of antibiotic resistance genes in the environment may pose a threat to public health. The purpose of this study was to investigate the abundance and diversity of tetracycline (tet) and sulfonamide (sul) resistance genes in eight livestock farms in Hangzhou, eastern China. Ten tet genes (tetA, tetB, tetC, tetG, tetL, tetM, tetO, tetQ, tetW, and tetX), two sul genes (sulI and sulII), and one genetic element associated with mobile antibiotic resistance genes [class 1 integron (intI1)] were quantified by real-time polymerase chain reaction. No significant difference was found in the abundance of the tet and sul genes in various scales of pig, chicken, and duck farms (P>0.05). The average abundance of ribosomal protection protein genes (tetQ, tetM, tetW, and tetO) in the manure and wastewater samples was higher than most of the efflux pump genes (tetA, tetB, tetC, and tetL) and enzymatic modification gene (tetX) (P<0.05), except for efflux pump gene tetG, which was abundant and showed no difference from tetM. Most ARGs had higher relative abundance in the wastewater lagoon than in manures even after treatment. Although the three ribosomal protection protein genes (tetQ, tetW, and tetO) had higher relative abundance, numbers were reduced during the complete wastewater treatment process in pig farms (P<0.05). The relative abundance of tetG, sulI, and sulII increased after the wastewater treatment and the removal of these three genes exhibited significant positive correlations with the intI1 gene (tetG: R(2)=0.60, P<0.05; sulI: R(2)=0.72, P<0.05; sulII: R(2)=0.62, P<0.05), suggesting that intI1 may be involved in their proliferation. As for tetM and sulII genes, a highly significant difference was found in manure samples between pig farms and duck farms (P<0.001). Phylogenetic analysis showed that tetM was more diverse in duck farms than in pig farms. Additionally, sulII sequence was conserved both in pig and duck farms. This is the first comprehensive study to

  10. Towards development of lignin reinforced elastomeric compounds with reduced energy dissipation

    NASA Astrophysics Data System (ADS)

    Bahl, Kushal

    This research deals with development of lignin as reinforcing filler for elastomeric compounds. Lignins are naturally abundant and cost competitive wood derivatives possessing strong mechanical properties and offering reactive functional groups on their surfaces. The presence of the functional groups imparts polarity to the lignin molecules and makes them incompatible with non-polar elastomers. Also, the large particle size of lignin does not produce desired mechanical reinforcement. The present study deals with solving the outstanding issues associated with the use of lignin as fillers for polymeric compounds. In addition, the work specifically focuses on producing rubber compounds with reduced energy dissipation via partial replacement of carbon black with lignin. The first part of this study is devoted to suppression of the polarity of lignin and achievement of compatibility with rubber matrix via modification of lignosulfonates (LS) with cyclohexylamine (CA). CA reduces the polarity of lignin via interactions originating from proton transfer and hydrogen bonding. X-ray Photoelectron Spectroscopy (XPS) confirms the attachment of CA on the surfaces of lignin. The mechanical properties of rubber compounds increase substantially along with improvement in cure properties and increase in crosslink density in the presence of LS particles modified with CA. The tensile strength and storage modulus show an increase by 45% and 41% respectively. The values of the 100% modulus and elongation at break also improve by 35% and 60% respectively. The second part of this study exploits the non-covalent interactions between lignin and carbon black (CB) for the design of novel hybrid filler particles exhibiting lower energy loss in rubber compounds. The hybrid fillers offer unique morphology consisting of coating layers of lignin on carbon black particle aggregates. It is found that such coating layers are formed due to pi-pi interactions between lignin and carbon black. Raman

  11. Describing three-class task performance: three-class linear discriminant analysis and three-class ROC analysis

    NASA Astrophysics Data System (ADS)

    He, Xin; Frey, Eric C.

    2007-03-01

    Binary ROC analysis has solid decision-theoretic foundations and a close relationship to linear discriminant analysis (LDA). In particular, for the case of Gaussian equal covariance input data, the area under the ROC curve (AUC) value has a direct relationship to the Hotelling trace. Many attempts have been made to extend binary classification methods to multi-class. For example, Fukunaga extended binary LDA to obtain multi-class LDA, which uses the multi-class Hotelling trace as a figure-of-merit, and we have previously developed a three-class ROC analysis method. This work explores the relationship between conventional multi-class LDA and three-class ROC analysis. First, we developed a linear observer, the three-class Hotelling observer (3-HO). For Gaussian equal covariance data, the 3- HO provides equivalent performance to the three-class ideal observer and, under less strict conditions, maximizes the signal to noise ratio for classification of all pairs of the three classes simultaneously. The 3-HO templates are not the eigenvectors obtained from multi-class LDA. Second, we show that the three-class Hotelling trace, which is the figureof- merit in the conventional three-class extension of LDA, has significant limitations. Third, we demonstrate that, under certain conditions, there is a linear relationship between the eigenvectors obtained from multi-class LDA and 3-HO templates. We conclude that the 3-HO based on decision theory has advantages both in its decision theoretic background and in the usefulness of its figure-of-merit. Additionally, there exists the possibility of interpreting the two linear features extracted by the conventional extension of LDA from a decision theoretic point of view.

  12. Anaerobic Catabolism of Aromatic Compounds: a Genetic and Genomic View

    PubMed Central

    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

    2009-01-01

    Summary: 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. PMID:19258534

  13. The relationship between the abundance of smallmouth bass and double-crested cormorants in the eastern basin of Lake Ontario

    USGS Publications Warehouse

    Lantry, B.F.; Eckert, T.H.; Schneider, C.P.; Chrisman, J.R.

    2002-01-01

    Available population and diet data on double-crested cormorant (Phalacrocorax auritus) and smallmouth bass (Micropterus dolomieui) numbers, demographics, and exploitation rates were synthesized to examine the relationship between cormorant and smallmouth bass abundance in the U.S. waters of the eastern basin of Lake Ontario. It was found that after the number of cormorants nesting on Little Galloo Island in New York exceeded 3,500 pairs in 1989, survival of young smallmouth bass, not yet of legal size for the sport harvest (< 305 mm), began to decline. Despite production of strong year classes in 1987 and 1988, abundance of smallmouth bass measured from gill net surveys declined to its lowest level by 1995 and remained there through 1998. Stable or increasing catch and harvest rates in other local fisheries along the U.S. shore suggested that declines in smallmouth bass abundance in the eastern basin were not related to water quality. Stable or increasing growth rates for smallmouth bass age 2 and older since the 1980s further indicated that food resource limitation was also not the cause for declines in abundance. Comparisons of estimates of size and age-specific predation on smallmouth bass by cormorants with projected smallmouth bass population size indicated that much of the increased mortality on young smallmouth bass, could be explained by cormorant predation.

  14. Compound Interest Is As Easy As Pi. Teacher's Guide [and] Student Manual.

    ERIC Educational Resources Information Center

    Auman, L. Charles

    This document provides teaching guidelines and student material for a unit intended for use in 12th grade algebra classes. Time allotment is from four to six hours of classroom time. The objective of this capsule is to teach students how to solve compound interest problems using arithmetic, logorithms, and calculators. Prerequisites for the unit…

  15. On the formation of metal cyanides and related compounds in the circumstellar envelope of IRC+10216

    NASA Astrophysics Data System (ADS)

    Petrie, Simon

    1996-10-01

    Various pathways to the metal cyanides Na(CN), Mg(CN) and Al(CN) - some of which have been detected in the circumstellar envelope IRC+10216 - are critically assessed. Calculations of rate coefficients for radiative association processes of the types M^++HCN, M^++HNC and M+CN, which are supported by ab initio calculations of the relevant bond strengths, molecular geometries and vibrational frequencies, allow us to conclude that none of these previously proposed pathways to M(CN) can account for the observed abundances of T-Na(CN), MgCN and MgNC within IRC+10216. We propose that the observed sodium and magnesium cyanides are best accounted for by a mechanism involving radiative association of Na^+ and Mg^+ with cyanopolyynes such as HC_5N and HC_7N, and discuss prospects for the formation of Al(CN) by an analogous mechanism. We also estimate the abundance ratios n(NaCN):n(T-Na(CN)) and n(AlCN):n(AlNC), assuming an ion/molecule source for these species and based on calculated themochemical and spectroscopic properties for these isomers; the results suggest that virtually all Na(CN) and Al(CN) should be in the form of T-Na(CN) and linear AlNC respectively, with poor prospects for the detection of the higher energy isomers NaCN and AlCN. Larger homologues of the metal cyanides, such as MNC_2n-1 (M=Na, Mg, Al; n=1,2,3,4...), may also arise in the dissociative recombination of MNC_2n+1H^+ ions. We assess the prospects for formation of the species MgC_2 and MgCCH, and propose also that the metal amides MNH_2 (M=Na, Mg, Al) constitute another class of compound whose formation in IRC+10216 via an ion/molecule mechanism, namely the reaction of M^+ with NH_3, appears highly likely.

  16. The Influence of Spices on the Volatile Compounds of Cooked Beef Patty

    PubMed Central

    Jung, Samooel; Jo, Cheorun; Kim, Il Suk; Nam, Ki Chang; Ahn, Dong Uk

    2014-01-01

    The aim of this study is to examine the influences of spices on the amounts and compositions of volatile compounds released from cooked beef patty. Beef patty with 0.5% of spice (nutmeg, onion, garlic, or ginger powder, w/w) was cooked by electronic pan until they reached an internal temperature of 75℃. A total of 46 volatile compounds (6 alcohols, 6 aldehydes, 5 hydrocarbons, 6 ketones, 9 sulfur compounds, and 14 terpenes) from cooked beef patties were detected by using purgeand- trap GC/MS. The addition of nutmeg, onion, or ginger powder significantly reduced the production of the volatile compounds via lipid oxidation in cooked beef patty when compared to those from the control. Also, the addition of nutmeg and garlic powder to beef patty generated a lot of trepans or sulfur volatile compounds, respectively. From these results, the major proportion by chemical classes such as alcohols, aldehydes, hydrocarbons, ketones, sulfur compounds, and terpenes was different depending on the spice variations. The results indicate that addition of spices to the beef patty meaningfully changes the volatile compounds released from within. Therefore, it can be concluded that spices can interact with meat aroma significantly, and thus, the character of each spice should be considered before adding to the beef patty. PMID:26760934

  17. The Influence of Spices on the Volatile Compounds of Cooked Beef Patty.

    PubMed

    Jung, Samooel; Jo, Cheorun; Kim, Il Suk; Nam, Ki Chang; Ahn, Dong Uk; Lee, Kyung Heang

    2014-01-01

    The aim of this study is to examine the influences of spices on the amounts and compositions of volatile compounds released from cooked beef patty. Beef patty with 0.5% of spice (nutmeg, onion, garlic, or ginger powder, w/w) was cooked by electronic pan until they reached an internal temperature of 75℃. A total of 46 volatile compounds (6 alcohols, 6 aldehydes, 5 hydrocarbons, 6 ketones, 9 sulfur compounds, and 14 terpenes) from cooked beef patties were detected by using purgeand- trap GC/MS. The addition of nutmeg, onion, or ginger powder significantly reduced the production of the volatile compounds via lipid oxidation in cooked beef patty when compared to those from the control. Also, the addition of nutmeg and garlic powder to beef patty generated a lot of trepans or sulfur volatile compounds, respectively. From these results, the major proportion by chemical classes such as alcohols, aldehydes, hydrocarbons, ketones, sulfur compounds, and terpenes was different depending on the spice variations. The results indicate that addition of spices to the beef patty meaningfully changes the volatile compounds released from within. Therefore, it can be concluded that spices can interact with meat aroma significantly, and thus, the character of each spice should be considered before adding to the beef patty.

  18. Analysis of Umami Taste Compounds in a Fermented Corn Sauce by Means of Sensory-Guided Fractionation.

    PubMed

    Charve, Joséphine; Manganiello, Sonia; Glabasnia, Arne

    2018-02-28

    Corn sauce, an ingredient obtained from the fermentation of enzymatically hydrolyzed corn starch and used in culinary applications to provide savory taste, was investigated in this study. The links between its sensory properties and taste compounds were assessed using a combination of analytical and sensory approaches. The analyses revealed that glutamic acid, sodium chloride, and acetic acid were the most abundant compounds, but they could not explain entirely the savory taste. The addition of other compounds, found at subthreshold concentrations (alanine, glutamyl peptides, and one Amadori compound), contributed partly to close the sensory gap between the re-engineered sample and the original product. Further chemical breakdown, by a sensory-guided fractionation approach, led to the isolation of two fractions with taste-modulating effects. Analyses by mass spectrometry and nuclear magnetic resonance showed that the fractions contained glutamyl peptides, pyroglutamic acid, glutamic acid, valine, N-formyl-glutamic acid, and N-acetyl-glutamine.

  19. α-Glucosidase inhibition by prenylated and lavandulyl compounds from Sophora flavescens roots and in silico analysis.

    PubMed

    Kim, Jang Hoon; Cho, Chong Woon; Kim, Hyo Young; Kim, Kyung Tae; Choi, Gug-Seoun; Kim, Hyeong-Hwang; Cho, In Sook; Kwon, Sun Jung; Choi, Seung-Kook; Yoon, Ju-Yeon; Yang, Seo Young; Kang, Jong Seong; Kim, Young Ho

    2017-09-01

    The enzyme α-glucosidase is a good drug target for the treatment of diabetes mellitus. Four minor flavonoids (1-4) from roots of Sophora flavescens showed the inhibitory activity, with IC 50 values ranging from 11.0±0.3 to 50.6±1.3μM, toward α-glucosidase. An enzyme kinetics analysis of them revealed that the compounds 1 and 4 were non-competitive, and compounds 2 and 3 were un-competitive inhibitors. For molecular docking, 3-dimensional structure of α-glucosidase was built by homology modeling. As the result, four compounds 1-4 were confirmed to interact into common binding site of α-glucosidase. In addition, all of the four prenylated and lavandulyl compounds (1-4) were abundant in an ethyl acetate fraction separated from a methanol extract, and the potential inhibitor (3) was extracted best using tetrahydrofuran. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Effects of prey abundance, distribution, visual contrast and morphology on selection by a pelagic piscivore

    USGS Publications Warehouse

    Hansen, Adam G.; Beauchamp, David A.

    2014-01-01

    depended on the presence of a weak versus a strong year class of age-0 longfin smelt. These fish were easy to catch, but hard to see. When their density was low, poor detection could explain their rarity in the diet. When their density was high, poor detection was compensated by higher encounter rates with cutthroat trout, sufficient to elicit a targeted feeding response. The nature of the feeding selectivity of a predator can be highly dependent on fluctuations in the abundance and suitability of key prey.